#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsk s ASP 6 N 0.00 6.39 -0.19 2.55 1.01 -1.26 -5.07 116.67 120.10 2gsk s ASP 6 Ca 0.00 1.74 -0.04 0.00 0.71 0.00 0.00 52.55 54.96 2gsk s ASP 6 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2gsk s ASP 6 CO 0.00 -0.75 -0.04 -0.89 0.21 0.00 0.00 175.17 173.70 2gsk s THR 7 N -2.36 3.58 0.17 -1.27 2.01 -1.26 -5.13 115.64 111.39 2gsk s THR 7 Ca 0.63 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.16 2gsk s THR 7 Cb -0.13 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 2gsk s THR 7 CO 0.27 0.45 0.37 -0.76 -0.69 0.00 0.00 174.62 174.27 2gsk s LEU 8 N 0.96 4.25 -0.11 4.42 1.43 -1.26 -5.10 118.68 123.27 2gsk s LEU 8 Ca 0.00 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2gsk s LEU 8 Cb -0.15 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.88 2gsk s LEU 8 CO 0.01 0.01 -0.10 -0.69 0.23 0.00 0.00 176.35 175.81 2gsk s VAL 9 N -1.77 1.12 -0.24 -1.59 1.01 -1.26 -5.10 120.40 112.57 2gsk s VAL 9 Ca 0.39 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2gsk s VAL 9 Cb -0.12 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 2gsk s VAL 9 CO 0.27 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 175.10 2gsk s VAL 10 N 1.42 4.03 -0.14 2.92 1.01 -1.26 -5.10 120.40 123.29 2gsk s VAL 10 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2gsk s VAL 10 Cb -0.13 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2gsk s VAL 10 CO -0.05 0.35 -0.01 -0.89 0.00 0.00 0.00 175.10 174.49 2gsk s THR 11 N 1.57 4.13 0.12 3.92 2.01 -1.26 -5.07 115.64 121.06 2gsk s THR 11 Ca 0.06 -0.28 -0.34 0.00 0.31 0.00 0.00 61.69 61.44 2gsk s THR 11 Cb -0.15 -2.80 -0.13 0.00 0.01 0.00 0.00 72.50 69.43 2gsk s THR 11 CO 0.02 0.52 1.63 0.00 -0.69 0.00 0.00 174.62 176.10 2gsk n ALA 12 N 3.14 1.34 -2.35 7.40 0.00 -1.26 -4.93 120.51 123.85 2gsk n ALA 12 Ca -0.18 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2gsk n ALA 12 Cb 0.53 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 2gsk n ALA 12 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2gsk s ASN 13 N 1.45 6.71 0.59 0.00 2.47 -1.26 -4.92 114.94 119.98 2gsk s ASN 13 Ca 0.81 1.46 0.36 0.00 0.42 0.00 0.00 52.86 55.91 2gsk s ASN 13 Cb -0.67 -2.54 1.84 0.00 -1.45 0.00 0.00 41.25 38.43 2gsk s ASN 13 CO 0.40 -1.01 2.19 -0.09 -3.72 0.00 0.00 177.10 174.87 2gsk h ARG 14 N 9.21 0.00 -0.06 0.43 2.43 -1.99 -2.64 114.38 121.75 2gsk h ARG 14 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2gsk h ARG 14 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2gsk h ARG 14 CO 1.01 0.04 0.00 1.19 -1.51 0.00 0.00 179.97 180.69 2gsk n PHE 15 N -3.32 0.07 -3.33 2.20 3.72 -1.26 -4.70 117.46 110.83 2gsk n PHE 15 Ca -0.02 -0.03 -0.38 0.00 -0.05 0.00 0.00 57.45 56.96 2gsk n PHE 15 Cb 0.18 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 2gsk n PHE 15 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2gsk s GLU 16 N -1.93 4.22 -0.46 -1.08 2.02 -1.00 -5.05 118.70 115.42 2gsk s GLU 16 Ca 0.36 0.33 -0.11 0.00 0.02 0.00 0.00 54.97 55.57 2gsk s GLU 16 Cb 0.19 -3.52 0.10 0.00 0.10 0.00 0.00 34.13 31.00 2gsk s GLU 16 CO 0.30 -0.02 0.35 -1.14 0.02 0.00 0.00 175.26 174.77 2gsk s GLN 17 N 1.23 2.70 0.51 1.61 2.00 -1.26 -5.00 119.66 121.45 2gsk s GLN 17 Ca 0.22 -1.57 -0.20 0.00 -2.00 0.00 0.00 55.36 51.81 2gsk s GLN 17 Cb -0.15 -3.97 -0.07 0.00 0.80 0.00 0.00 33.01 29.61 2gsk s GLN 17 CO 0.09 -1.10 1.06 -1.25 -0.50 0.00 0.00 175.29 173.59 2gsk s PRO 18 N 1.47 3.64 0.62 1.67 0.04 -1.26 -5.04 135.00 136.14 2gsk s PRO 18 Ca 0.04 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 2gsk s PRO 18 Cb -0.25 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2gsk s PRO 18 CO 0.02 -0.57 1.02 1.03 0.04 0.00 0.00 177.00 178.54 2gsk s ARG 19 N -3.32 3.50 -1.27 4.56 1.81 -1.26 -4.95 118.95 118.01 2gsk s ARG 19 Ca 0.68 0.66 -0.08 0.00 -1.72 0.00 0.00 55.73 55.28 2gsk s ARG 19 Cb -0.18 -2.10 -0.06 0.00 -0.45 0.00 0.00 34.95 32.16 2gsk s ARG 19 CO 0.23 -0.60 2.91 0.43 -0.68 0.00 0.00 175.30 177.59 2gsk n SER 20 N -2.74 8.01 -1.10 0.23 7.64 -1.26 -4.21 113.62 120.18 2gsk n SER 20 Ca 0.06 -2.73 0.05 0.00 1.01 0.00 0.00 58.87 57.25 2gsk n SER 20 Cb 0.55 -1.48 0.08 0.00 -1.01 0.00 0.00 64.21 62.35 2gsk n SER 20 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2gsk n THR 21 N 2.84 0.77 0.25 0.44 -2.24 -1.26 -4.83 114.28 110.25 2gsk n THR 21 Ca 0.69 -1.69 0.11 0.00 -2.27 0.00 0.00 64.05 60.88 2gsk n THR 21 Cb 0.34 0.53 0.68 0.00 -2.10 0.00 0.00 70.33 69.79 2gsk n THR 21 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2gsk h VAL 22 N 4.86 0.68 0.00 2.28 -1.51 -2.01 0.22 116.25 120.77 2gsk h VAL 22 Ca -0.13 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2gsk h VAL 22 Cb 1.55 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 2gsk h VAL 22 CO 0.06 0.13 -0.31 0.18 -1.23 0.00 0.00 177.57 176.40 2gsk n LEU 23 N -3.77 0.37 -4.87 4.19 4.77 -1.26 -4.95 117.00 111.49 2gsk n LEU 23 Ca -0.02 0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 55.89 2gsk n LEU 23 Cb 0.24 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2gsk n LEU 23 CO 0.31 0.04 0.49 0.00 -1.33 0.00 0.00 177.39 176.91 2gsk s ALA 24 N -3.03 3.29 -0.10 -1.18 0.00 0.76 -5.03 121.76 116.48 2gsk s ALA 24 Ca 0.11 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2gsk s ALA 24 Cb 0.17 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 2gsk s ALA 24 CO 0.64 -0.08 1.29 -1.25 0.00 0.00 0.00 175.76 176.37 2gsk s PRO 25 N -3.94 4.27 0.04 0.00 0.04 -1.26 -5.00 135.00 129.14 2gsk s PRO 25 Ca 0.53 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 2gsk s PRO 25 Cb -0.10 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 2gsk s PRO 25 CO 0.32 -0.61 -0.04 0.95 0.04 0.00 0.00 177.00 177.66 2gsk s THR 26 N 2.95 0.22 0.00 1.26 -4.23 -1.26 -2.52 115.64 112.06 2gsk s THR 26 Ca 0.58 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 2gsk s THR 26 Cb -0.25 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 2gsk s THR 26 CO 0.20 -0.70 -0.10 -0.89 -0.54 0.00 0.00 174.62 172.59 2gsk s THR 27 N -2.52 0.78 -0.08 3.99 2.01 -0.18 -5.00 115.64 114.64 2gsk s THR 27 Ca -0.05 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2gsk s THR 27 Cb -0.02 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2gsk s THR 27 CO -0.05 0.13 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.15 2gsk s VAL 28 N -0.41 2.74 -0.13 3.82 1.01 -1.26 -1.02 120.40 125.15 2gsk s VAL 28 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2gsk s VAL 28 Cb -0.05 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2gsk s VAL 28 CO -0.00 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.85 2gsk s VAL 29 N -0.20 3.07 0.49 2.92 1.01 0.03 -4.97 120.40 122.75 2gsk s VAL 29 Ca -0.01 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2gsk s VAL 29 Cb -0.13 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 33.99 2gsk s VAL 29 CO 0.03 0.52 0.62 0.42 0.00 0.00 0.00 175.10 176.69 2gsk s THR 30 N 0.41 2.52 0.02 3.92 -4.23 -1.26 -0.13 115.64 116.90 2gsk s THR 30 Ca -0.10 -1.08 0.25 0.00 -1.18 0.00 0.00 61.69 59.58 2gsk s THR 30 Cb -0.16 -2.60 0.27 0.00 1.34 0.00 0.00 72.50 71.35 2gsk s THR 30 CO 0.05 0.00 1.80 -0.09 -0.54 0.00 0.00 174.62 175.84 2gsk h ARG 31 N 0.52 0.00 -0.46 3.99 9.65 -1.85 -1.41 114.38 124.81 2gsk h ARG 31 Ca -0.36 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.44 2gsk h ARG 31 Cb 1.28 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 2gsk h ARG 31 CO 0.46 0.17 -0.04 1.96 2.80 0.00 0.00 179.97 185.32 2gsk h GLN 32 N 0.00 0.79 -0.04 0.20 4.20 -1.95 -0.99 115.11 117.31 2gsk h GLN 32 Ca -0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 2gsk h GLN 32 Cb 0.79 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2gsk h GLN 32 CO 0.02 0.82 0.00 -0.44 -0.67 0.00 0.00 178.83 178.56 2gsk h ASP 33 N 0.73 0.07 0.08 1.46 3.32 -1.66 -2.47 116.42 117.95 2gsk h ASP 33 Ca 0.13 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2gsk h ASP 33 Cb 0.50 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2gsk h ASP 33 CO 0.03 0.36 -0.04 0.40 -1.72 0.00 0.00 179.24 178.27 2gsk h ILE 34 N -0.21 0.97 -0.50 0.35 2.04 -1.32 -0.36 117.51 118.47 2gsk h ILE 34 Ca 0.01 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.79 2gsk h ILE 34 Cb 0.32 1.09 -0.10 0.00 -0.74 0.00 0.00 36.82 37.39 2gsk h ILE 34 CO 0.00 0.04 -0.27 0.44 0.00 0.00 0.00 178.15 178.36 2gsk h ASP 35 N -0.19 -0.94 -0.40 1.72 3.32 -1.24 -1.18 116.42 117.51 2gsk h ASP 35 Ca -0.01 0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2gsk h ASP 35 Cb 0.16 0.48 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2gsk h ASP 35 CO 0.02 -0.28 0.26 0.03 -1.72 0.00 0.00 179.24 177.55 2gsk h ARG 36 N -0.16 0.52 0.00 3.56 3.08 -1.06 -2.76 114.38 117.56 2gsk h ARG 36 Ca 0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2gsk h ARG 36 Cb 0.51 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2gsk h ARG 36 CO -0.59 0.34 0.00 -1.49 -1.07 0.00 0.00 179.97 177.16 2gsk h TRP 37 N 0.53 0.00 -4.50 3.04 6.55 -0.83 -3.46 115.95 117.27 2gsk h TRP 37 Ca 0.15 0.00 -0.39 0.00 0.95 0.00 0.00 58.89 59.60 2gsk h TRP 37 Cb -0.05 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.27 2gsk h TRP 37 CO -0.05 0.00 -0.57 1.04 -1.05 0.00 0.00 178.44 177.81 2gsk n GLN 38 N -2.76 -4.06 -1.69 0.49 6.02 -0.47 -4.95 117.38 109.97 2gsk n GLN 38 Ca 0.01 0.80 -0.44 0.00 -0.01 0.00 0.00 57.00 57.36 2gsk n GLN 38 Cb 0.29 -5.59 -0.04 0.00 1.02 0.00 0.00 30.24 25.92 2gsk n GLN 38 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2gsk n SER 39 N -2.37 3.56 -0.96 1.08 7.64 -1.21 -4.92 113.62 116.45 2gsk n SER 39 Ca -0.11 1.05 0.10 0.00 1.01 0.00 0.00 58.87 60.92 2gsk n SER 39 Cb 0.61 -1.49 0.17 0.00 -1.01 0.00 0.00 64.21 62.49 2gsk n SER 39 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2gsk n THR 40 N 3.97 0.43 -3.64 0.44 -2.24 -1.26 -4.98 114.28 107.00 2gsk n THR 40 Ca 0.17 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 61.13 2gsk n THR 40 Cb 0.32 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 2gsk n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gsk s SER 41 N -1.39 -0.26 0.40 3.42 1.04 -1.26 -4.68 113.70 110.96 2gsk s SER 41 Ca 0.31 -0.21 0.14 0.00 0.48 0.00 0.00 55.95 56.68 2gsk s SER 41 Cb 0.19 0.46 0.83 0.00 0.10 0.00 0.00 66.02 67.60 2gsk s SER 41 CO 0.27 -0.80 1.88 0.58 0.98 0.00 0.00 173.24 176.15 2gsk h VAL 42 N 2.55 1.18 -0.62 5.02 2.07 -1.79 -3.00 116.25 121.66 2gsk h VAL 42 Ca -0.33 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 2gsk h VAL 42 Cb 1.24 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2gsk h VAL 42 CO 0.46 0.31 0.07 0.78 0.02 0.00 0.00 177.57 179.20 2gsk h ASN 43 N 0.00 1.01 -0.61 0.57 2.35 -1.95 -1.11 115.58 115.84 2gsk h ASN 43 Ca -0.00 -0.25 0.05 0.00 -0.55 0.00 0.00 56.30 55.55 2gsk h ASN 43 Cb 0.57 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 2gsk h ASN 43 CO 0.04 1.02 0.40 -0.78 -1.65 0.00 0.00 177.43 176.46 2gsk h ASP 44 N 0.97 0.55 0.49 5.81 3.58 -1.94 -0.40 116.42 125.49 2gsk h ASP 44 Ca 0.19 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2gsk h ASP 44 Cb 0.47 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2gsk h ASP 44 CO 0.02 0.37 -0.23 0.58 -2.88 0.00 0.00 179.24 177.09 2gsk h VAL 45 N 0.63 0.47 0.00 2.25 2.07 -1.49 -3.36 116.25 116.83 2gsk h VAL 45 Ca 0.26 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2gsk h VAL 45 Cb 0.21 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2gsk h VAL 45 CO -0.07 0.05 -0.32 -0.07 0.02 0.00 0.00 177.57 177.17 2gsk h LEU 46 N -0.84 0.00 -1.25 2.57 3.38 -0.96 -2.69 115.31 115.51 2gsk h LEU 46 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2gsk h LEU 46 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2gsk h LEU 46 CO 0.11 0.32 0.00 0.08 0.09 0.00 0.00 178.44 179.04 2gsk h ARG 47 N 0.00 0.00 0.00 1.13 -0.00 -1.22 -1.87 114.38 112.42 2gsk h ARG 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2gsk h ARG 47 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.65 2gsk h ARG 47 CO 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 180.01 2gsk h ARG 48 N 0.00 0.00 -6.03 0.08 3.08 -1.65 -3.48 114.38 106.38 2gsk h ARG 48 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2gsk h ARG 48 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2gsk h ARG 48 CO 0.00 0.00 -0.50 -0.51 -1.07 0.00 0.00 179.97 177.89 2gsk s LEU 49 N -4.81 4.24 0.37 3.04 1.43 -0.71 -4.95 118.68 117.29 2gsk s LEU 49 Ca 0.09 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 2gsk s LEU 49 Cb 0.11 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.39 2gsk s LEU 49 CO 0.57 0.10 1.33 -2.84 0.23 0.00 0.00 176.35 175.75 2gsk s PRO 50 N -2.90 4.15 0.00 1.29 0.02 -1.26 -2.67 135.00 133.63 2gsk s PRO 50 Ca 0.34 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.61 2gsk s PRO 50 Cb -0.12 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2gsk s PRO 50 CO 0.27 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 2gsk n GLY 51 N 0.69 1.94 3.71 0.52 0.00 -1.26 -5.00 105.19 105.79 2gsk n GLY 51 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2gsk n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsk s VAL 52 N -2.75 5.32 -0.22 1.61 1.01 -1.09 -1.53 120.40 122.75 2gsk s VAL 52 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.42 2gsk s VAL 52 Cb 0.00 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.84 2gsk s VAL 52 CO 0.00 0.37 -0.06 -0.62 0.00 0.00 0.00 175.10 174.79 2gsk s ASP 53 N 0.63 3.70 -0.19 3.32 -1.08 -0.56 -4.83 116.67 117.66 2gsk s ASP 53 Ca 0.14 -1.09 -0.08 0.00 -0.52 0.00 0.00 52.55 51.00 2gsk s ASP 53 Cb -0.13 -1.16 -0.04 0.00 -1.46 0.00 0.00 42.92 40.13 2gsk s ASP 53 CO 0.03 -0.22 0.07 -0.63 0.52 0.00 0.00 175.17 174.95 2gsk s ILE 54 N 1.42 4.82 0.32 4.11 1.01 -1.26 -1.35 121.20 130.27 2gsk s ILE 54 Ca -0.05 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.67 2gsk s ILE 54 Cb -0.18 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2gsk s ILE 54 CO -0.07 0.44 0.17 0.42 0.00 0.00 0.00 174.94 175.91 2gsk s THR 55 N 0.54 3.43 -0.20 2.92 -4.23 0.01 -4.97 115.64 113.13 2gsk s THR 55 Ca 0.04 -1.59 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 2gsk s THR 55 Cb -0.13 -3.08 0.06 0.00 1.34 0.00 0.00 72.50 70.70 2gsk s THR 55 CO 0.01 -0.23 0.50 -1.58 -0.54 0.00 0.00 174.62 172.78 2gsk s GLN 56 N -3.87 0.53 -0.79 3.99 0.74 -1.26 -0.58 119.66 118.42 2gsk s GLN 56 Ca 0.37 0.86 -0.08 0.00 0.05 0.00 0.00 55.36 56.56 2gsk s GLN 56 Cb -0.05 0.11 -0.18 0.00 1.10 0.00 0.00 33.01 33.99 2gsk s GLN 56 CO 0.24 -0.13 3.30 0.09 -0.55 0.00 0.00 175.29 178.23 2gsk n ASN 57 N 3.83 6.95 0.00 6.67 3.02 0.69 -4.22 115.26 132.20 2gsk n ASN 57 Ca -0.20 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 2gsk n ASN 57 Cb 0.56 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2gsk n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gsk n GLY 58 N 3.03 0.18 0.00 7.41 0.00 -1.26 -4.47 105.19 110.08 2gsk n GLY 58 Ca 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2gsk n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsk n GLY 59 N 0.00 5.57 3.68 -0.02 0.00 -1.26 -4.68 105.19 108.48 2gsk n GLY 59 Ca 0.00 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 2gsk n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gsk n SER 60 N 0.00 4.01 0.00 1.61 7.64 -1.26 -1.59 113.62 124.03 2gsk n SER 60 Ca 0.00 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2gsk n SER 60 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 2gsk n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gsk n GLY 61 N 4.32 3.34 3.86 0.23 0.00 -1.26 -4.50 105.19 111.17 2gsk n GLY 61 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2gsk n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gsk s GLN 62 N -0.71 3.45 0.20 1.61 1.11 -0.62 -4.78 119.66 119.93 2gsk s GLN 62 Ca 0.00 0.79 -0.32 0.00 0.01 0.00 0.00 55.36 55.83 2gsk s GLN 62 Cb 0.00 -2.06 -0.13 0.00 -1.01 0.00 0.00 33.01 29.81 2gsk s GLN 62 CO 0.00 -0.69 1.58 -0.11 0.01 0.00 0.00 175.29 176.08 2gsk n LEU 63 N -2.84 3.45 -4.46 2.90 7.94 -1.26 -4.66 117.00 118.08 2gsk n LEU 63 Ca 0.06 1.10 -0.30 0.00 -1.11 0.00 0.00 56.01 55.76 2gsk n LEU 63 Cb 0.54 -1.48 -0.12 0.00 0.53 0.00 0.00 43.42 42.89 2gsk n LEU 63 CO 0.58 -0.17 -0.51 -0.94 -1.11 0.00 0.00 177.39 175.24 2gsk s SER 64 N 0.79 3.75 0.04 1.96 1.04 -1.26 -0.22 113.70 119.80 2gsk s SER 64 Ca 0.74 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 56.71 2gsk s SER 64 Cb -0.61 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.97 2gsk s SER 64 CO 0.40 0.20 -0.25 -0.44 0.98 0.00 0.00 173.24 174.13 2gsk s SER 65 N -1.91 3.03 -0.21 7.02 0.01 0.26 -4.45 113.70 117.44 2gsk s SER 65 Ca 0.16 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.87 2gsk s SER 65 Cb -0.10 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 65.90 2gsk s SER 65 CO 0.08 0.25 -0.09 -0.63 0.41 0.00 0.00 173.24 173.26 2gsk s ILE 66 N -0.78 1.66 -0.44 1.44 1.01 -1.26 -0.81 121.20 122.02 2gsk s ILE 66 Ca 0.11 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 2gsk s ILE 66 Cb -0.10 -1.79 0.08 0.00 0.01 0.00 0.00 42.46 40.67 2gsk s ILE 66 CO 0.02 0.08 0.29 -0.36 0.00 0.00 0.00 174.94 174.97 2gsk s PHE 67 N 1.37 3.34 -0.16 3.97 0.08 -0.45 -3.98 117.98 122.14 2gsk s PHE 67 Ca -0.03 -1.50 -0.20 0.00 0.12 0.00 0.00 56.93 55.31 2gsk s PHE 67 Cb -0.17 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 2gsk s PHE 67 CO -0.07 -0.87 0.59 0.42 -0.10 0.00 0.00 175.22 175.19 2gsk s ILE 68 N 1.44 5.08 -1.48 0.64 -1.09 -1.26 -1.50 121.20 123.03 2gsk s ILE 68 Ca 0.04 1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 59.53 2gsk s ILE 68 Cb -0.24 -3.92 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 2gsk s ILE 68 CO 0.02 0.20 0.16 0.54 -1.23 0.00 0.00 174.94 174.62 2gsk n ARG 69 N 4.46 -0.99 -0.94 2.79 1.74 -0.58 -1.39 116.66 121.76 2gsk n ARG 69 Ca -0.03 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2gsk n ARG 69 Cb 0.51 -3.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 2gsk n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gsk n GLY 70 N -2.45 0.80 3.95 -0.13 0.00 -1.26 -4.98 105.19 101.11 2gsk n GLY 70 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 2gsk n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gsk s THR 71 N -3.33 2.35 0.81 2.61 -4.23 -0.48 -4.89 115.64 108.48 2gsk s THR 71 Ca 0.00 -0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.00 2gsk s THR 71 Cb 0.00 -2.96 0.08 0.00 1.34 0.00 0.00 72.50 70.96 2gsk s THR 71 CO 0.00 0.00 1.09 0.20 -0.54 0.00 0.00 174.62 175.37 2gsk s ASN 72 N -4.53 4.26 0.56 3.99 0.01 -1.26 -4.22 114.94 113.75 2gsk s ASN 72 Ca 0.61 1.50 0.28 0.00 -0.71 0.00 0.00 52.86 54.53 2gsk s ASN 72 Cb -0.10 -2.23 1.48 0.00 0.41 0.00 0.00 41.25 40.82 2gsk s ASN 72 CO 0.43 -2.14 1.97 0.00 -1.51 0.00 0.00 177.10 175.85 2gsk h ALA 73 N -1.20 2.30 -0.04 0.60 0.00 -1.97 0.17 119.26 119.11 2gsk h ALA 73 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2gsk h ALA 73 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2gsk h ALA 73 CO 0.56 -0.65 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 2gsk n SER 74 N -4.03 1.89 -0.16 0.00 3.41 -1.26 -4.02 113.62 109.45 2gsk n SER 74 Ca 0.09 -1.64 0.13 0.00 -0.26 0.00 0.00 58.87 57.18 2gsk n SER 74 Cb 0.61 -0.02 0.39 0.00 -0.26 0.00 0.00 64.21 64.93 2gsk n SER 74 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2gsk n HIS 75 N 0.48 0.00 -3.11 7.33 8.25 0.60 -4.75 115.22 124.02 2gsk n HIS 75 Ca 0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.24 2gsk n HIS 75 Cb 0.41 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.30 2gsk n HIS 75 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gsk s VAL 76 N -2.62 5.05 -0.33 1.59 0.11 -1.25 -1.17 120.40 121.78 2gsk s VAL 76 Ca 0.22 1.28 -0.23 0.00 -2.93 0.00 0.00 61.98 60.32 2gsk s VAL 76 Cb 0.19 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 2gsk s VAL 76 CO 0.55 0.20 0.76 -0.22 -3.33 0.00 0.00 175.10 173.07 2gsk s LEU 77 N 1.22 4.12 -0.26 2.54 2.96 -0.46 -4.86 118.68 123.93 2gsk s LEU 77 Ca 0.32 0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 54.66 2gsk s LEU 77 Cb -0.16 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 2gsk s LEU 77 CO 0.14 -0.64 0.08 -0.69 -1.32 0.00 0.00 176.35 173.91 2gsk s VAL 78 N 2.97 4.29 0.03 1.68 1.01 -1.26 -0.58 120.40 128.53 2gsk s VAL 78 Ca 0.31 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2gsk s VAL 78 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2gsk s VAL 78 CO 0.14 0.26 -0.08 -0.76 0.00 0.00 0.00 175.10 174.67 2gsk s LEU 79 N 1.60 3.13 -0.25 3.92 1.43 0.59 -1.85 118.68 127.25 2gsk s LEU 79 Ca 0.06 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2gsk s LEU 79 Cb -0.16 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2gsk s LEU 79 CO 0.04 0.25 -0.07 -0.63 0.23 0.00 0.00 176.35 176.17 2gsk s ILE 80 N -1.05 2.70 -1.48 -0.59 -1.09 0.92 -0.38 121.20 120.23 2gsk s ILE 80 Ca 0.18 -1.16 -0.13 0.00 -2.23 0.00 0.00 60.65 57.32 2gsk s ILE 80 Cb -0.11 -2.41 0.10 0.00 -1.58 0.00 0.00 42.46 38.46 2gsk s ILE 80 CO 0.09 0.16 0.72 0.47 -1.23 0.00 0.00 174.94 175.14 2gsk n ASP 81 N 4.62 -4.00 0.00 3.58 8.00 0.09 -2.14 116.55 126.70 2gsk n ASP 81 Ca -0.16 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2gsk n ASP 81 Cb 0.46 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 2gsk n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gsk n GLY 82 N -1.38 0.77 3.30 0.44 0.00 -1.26 -5.04 105.19 102.01 2gsk n GLY 82 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2gsk n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsk s VAL 83 N -2.70 2.22 0.04 1.61 1.01 -0.91 -5.01 120.40 116.65 2gsk s VAL 83 Ca 0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 61.98 60.60 2gsk s VAL 83 Cb 0.00 -1.81 -0.15 0.00 0.00 0.00 0.00 36.38 34.41 2gsk s VAL 83 CO 0.00 0.57 1.50 0.54 0.00 0.00 0.00 175.10 177.71 2gsk n ARG 84 N 2.87 1.47 -1.87 2.72 1.74 -1.26 -0.05 116.66 122.28 2gsk n ARG 84 Ca -0.17 0.53 -0.41 0.00 -0.77 0.00 0.00 57.85 57.03 2gsk n ARG 84 Cb 0.52 -2.23 -0.01 0.00 -1.02 0.00 0.00 32.46 29.72 2gsk n ARG 84 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2gsk s LEU 85 N 1.32 4.35 -0.16 0.55 2.96 -0.77 -4.78 118.68 122.15 2gsk s LEU 85 Ca 0.86 2.92 -0.37 0.00 -0.22 0.00 0.00 54.13 57.32 2gsk s LEU 85 Cb -0.88 -3.65 -0.14 0.00 0.50 0.00 0.00 46.19 42.02 2gsk s LEU 85 CO 0.48 -0.82 1.80 0.59 -1.32 0.00 0.00 176.35 177.08 2gsk n ASN 86 N 1.22 2.91 -3.66 3.68 4.13 -1.26 -4.96 115.26 117.31 2gsk n ASN 86 Ca 0.04 1.03 -0.29 0.00 1.68 0.00 0.00 54.58 57.03 2gsk n ASN 86 Cb 0.39 -1.26 -0.15 0.00 -1.54 0.00 0.00 39.78 37.22 2gsk n ASN 86 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2gsk s LEU 87 N 3.64 1.73 0.00 3.41 2.96 -1.26 -5.01 118.68 124.15 2gsk s LEU 87 Ca 0.95 -1.70 0.19 0.00 -0.22 0.00 0.00 54.13 53.34 2gsk s LEU 87 Cb -0.87 -0.71 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 2gsk s LEU 87 CO 0.58 -0.40 0.90 0.00 -1.32 0.00 0.00 176.35 176.11 2gsk n ALA 88 N 4.75 3.62 -1.77 5.97 0.00 -1.26 -5.00 120.51 126.81 2gsk n ALA 88 Ca -0.01 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.55 2gsk n ALA 88 Cb 0.41 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2gsk n ALA 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gsk s GLY 89 N -2.30 1.88 0.30 0.00 0.00 -1.26 -3.95 107.32 101.99 2gsk s GLY 89 Ca 0.13 0.12 0.04 0.00 0.00 0.00 0.00 44.72 45.01 2gsk s GLY 89 CO 0.55 0.40 1.76 -0.24 0.00 0.00 0.00 173.10 175.57 2gsk h VAL 90 N 0.17 1.26 0.00 1.40 3.04 -1.95 -2.96 116.25 117.20 2gsk h VAL 90 Ca -0.45 -1.20 -0.00 0.00 -1.01 0.00 0.00 66.70 64.03 2gsk h VAL 90 Cb 1.20 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2gsk h VAL 90 CO 0.60 0.38 -0.00 0.77 -1.01 0.00 0.00 177.57 178.30 2gsk h SER 91 N 0.37 0.00 -0.19 3.17 4.64 -1.97 -3.42 113.55 116.15 2gsk h SER 91 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2gsk h SER 91 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 2gsk h SER 91 CO 0.04 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 176.55 2gsk n GLY 92 N -1.43 0.63 3.61 -0.77 0.00 -1.12 -4.85 105.19 101.25 2gsk n GLY 92 Ca -0.03 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2gsk n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gsk s SER 93 N -2.39 5.29 0.31 1.61 1.04 -1.26 -4.51 113.70 113.79 2gsk s SER 93 Ca 0.00 0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 2gsk s SER 93 Cb 0.00 -1.80 -0.10 0.00 0.10 0.00 0.00 66.02 64.21 2gsk s SER 93 CO 0.00 0.22 1.41 0.00 0.98 0.00 0.00 173.24 175.85 2gsk s ALA 94 N 0.05 3.58 -0.46 5.32 0.00 -1.26 -4.96 121.76 124.03 2gsk s ALA 94 Ca 0.03 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.35 2gsk s ALA 94 Cb -0.13 -3.54 0.12 0.00 0.00 0.00 0.00 23.12 19.57 2gsk s ALA 94 CO 0.02 -0.78 0.23 0.34 0.00 0.00 0.00 175.76 175.57 2gsk s ASP 95 N -0.04 5.06 0.00 0.00 2.15 -1.26 -4.70 116.67 117.88 2gsk s ASP 95 Ca 0.54 -2.35 0.15 0.00 0.43 0.00 0.00 52.55 51.32 2gsk s ASP 95 Cb -0.42 -1.78 0.60 0.00 -0.30 0.00 0.00 42.92 41.01 2gsk s ASP 95 CO 0.51 -0.44 1.43 0.18 -0.17 0.00 0.00 175.17 176.68 2gsk n LEU 96 N 4.12 1.25 0.27 -1.34 4.77 -1.26 -2.86 117.00 121.95 2gsk n LEU 96 Ca 0.02 -0.57 0.15 0.00 -0.03 0.00 0.00 56.01 55.58 2gsk n LEU 96 Cb 0.40 -0.11 0.72 0.00 -2.33 0.00 0.00 43.42 42.09 2gsk n LEU 96 CO 0.31 0.28 0.97 0.77 -1.33 0.00 0.00 177.39 178.39 2gsk h SER 97 N 1.54 0.00 0.57 -1.43 4.64 -1.88 -3.02 113.55 113.97 2gsk h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gsk h SER 97 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2gsk h SER 97 CO 0.00 0.10 -0.91 0.00 -0.87 0.00 0.00 176.83 175.15 2gsk n GLN 98 N -3.37 0.30 -2.67 4.77 1.13 -1.13 -4.47 117.38 111.93 2gsk n GLN 98 Ca -0.01 0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.65 2gsk n GLN 98 Cb 0.28 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 28.98 2gsk n GLN 98 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2gsk s PHE 99 N -3.19 3.48 0.00 1.08 5.36 -1.14 -4.99 117.98 118.58 2gsk s PHE 99 Ca 0.04 1.57 -0.30 0.00 -0.96 0.00 0.00 56.93 57.28 2gsk s PHE 99 Cb 0.14 -3.21 -0.05 0.00 -0.34 0.00 0.00 43.02 39.56 2gsk s PHE 99 CO 0.78 -0.30 1.38 -2.14 -1.46 0.00 0.00 175.22 173.48 2gsk s PRO 100 N 2.15 4.29 0.56 10.12 0.02 -1.26 -4.49 135.00 146.39 2gsk s PRO 100 Ca 0.48 1.95 0.29 0.00 0.02 0.00 0.00 61.00 63.74 2gsk s PRO 100 Cb -0.18 -3.56 1.46 0.00 0.02 0.00 0.00 34.50 32.24 2gsk s PRO 100 CO 0.17 -0.56 1.91 0.97 -0.33 0.00 0.00 177.00 179.16 2gsk h ILE 101 N 4.90 0.51 0.00 2.83 6.09 -1.92 -1.06 117.51 128.86 2gsk h ILE 101 Ca -0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 2gsk h ILE 101 Cb 1.18 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.09 2gsk h ILE 101 CO 0.90 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.98 2gsk h ALA 102 N 1.55 1.00 -0.00 0.18 0.00 -1.94 -1.63 119.26 118.41 2gsk h ALA 102 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2gsk h ALA 102 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2gsk h ALA 102 CO -0.00 0.00 -0.54 1.28 0.00 0.00 0.00 179.25 179.99 2gsk n LEU 103 N -2.76 0.67 -4.55 0.00 4.77 -0.40 -4.87 117.00 109.86 2gsk n LEU 103 Ca 0.00 -0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 2gsk n LEU 103 Cb 0.22 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2gsk n LEU 103 CO 0.22 0.16 0.75 -0.69 -1.33 0.00 0.00 177.39 176.50 2gsk s VAL 104 N -2.92 4.44 -0.20 4.08 1.01 -0.62 -4.16 120.40 122.04 2gsk s VAL 104 Ca 0.13 0.63 0.20 0.00 0.00 0.00 0.00 61.98 62.93 2gsk s VAL 104 Cb 0.18 -4.46 -0.29 0.00 0.00 0.00 0.00 36.38 31.80 2gsk s VAL 104 CO 0.70 -0.91 0.52 0.00 0.00 0.00 0.00 175.10 175.40 2gsk n GLN 105 N 7.26 0.60 -3.61 2.72 1.13 -0.42 -4.87 117.38 120.19 2gsk n GLN 105 Ca 0.05 -0.15 -0.16 0.00 -1.94 0.00 0.00 57.00 54.81 2gsk n GLN 105 Cb 0.48 -1.47 -0.07 0.00 0.11 0.00 0.00 30.24 29.29 2gsk n GLN 105 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2gsk s ARG 106 N -3.30 0.87 -0.12 -1.09 3.52 -1.10 -2.81 118.95 114.92 2gsk s ARG 106 Ca -0.05 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.04 2gsk s ARG 106 Cb 0.13 0.41 -0.00 0.00 -1.56 0.00 0.00 34.95 33.94 2gsk s ARG 106 CO 0.83 -0.21 -0.21 0.08 -0.81 0.00 0.00 175.30 174.99 2gsk s VAL 107 N -0.57 2.30 -0.21 7.11 1.01 0.82 -1.13 120.40 129.73 2gsk s VAL 107 Ca -0.07 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2gsk s VAL 107 Cb -0.03 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2gsk s VAL 107 CO 0.05 0.55 0.03 -1.61 0.00 0.00 0.00 175.10 174.12 2gsk s GLU 108 N 0.52 3.67 -0.10 2.72 2.02 0.85 -0.79 118.70 127.59 2gsk s GLU 108 Ca -0.13 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 2gsk s GLU 108 Cb -0.17 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 30.93 2gsk s GLU 108 CO 0.05 -0.01 -0.06 -0.47 0.02 0.00 0.00 175.26 174.79 2gsk s TYR 109 N 1.09 1.30 0.14 1.61 5.04 -0.19 -0.32 117.35 126.01 2gsk s TYR 109 Ca 0.03 -0.61 0.10 0.00 -2.44 0.00 0.00 57.07 54.16 2gsk s TYR 109 Cb -0.14 -1.13 -0.04 0.00 0.35 0.00 0.00 41.96 41.00 2gsk s TYR 109 CO 0.02 -0.46 -0.25 -1.50 -1.34 0.00 0.00 175.55 172.02 2gsk s ILE 110 N 1.73 2.16 0.05 3.14 2.07 -0.35 -1.01 121.20 128.98 2gsk s ILE 110 Ca 0.04 -1.77 0.01 0.00 -1.41 0.00 0.00 60.65 57.53 2gsk s ILE 110 Cb -0.13 -1.93 -0.03 0.00 0.13 0.00 0.00 42.46 40.50 2gsk s ILE 110 CO -0.07 0.02 -0.06 0.00 -1.91 0.00 0.00 174.94 172.91 2gsk s ARG 111 N -2.15 0.55 0.08 3.50 3.03 -1.05 -0.71 118.95 122.21 2gsk s ARG 111 Ca 0.14 -0.88 0.00 0.00 2.03 0.00 0.00 55.73 57.02 2gsk s ARG 111 Cb -0.10 -0.16 0.00 0.00 -1.03 0.00 0.00 34.95 33.67 2gsk s ARG 111 CO 0.06 0.00 0.00 0.41 -1.13 0.00 0.00 175.30 174.65 2gsk n GLY 112 N 1.08 -1.71 0.34 3.88 0.00 -1.04 -4.32 105.19 103.41 2gsk n GLY 112 Ca -0.20 -2.01 0.18 0.00 0.00 0.00 0.00 46.02 43.99 2gsk n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gsk h PRO 113 N 0.00 0.00 0.00 1.61 0.10 -1.89 -2.37 132.00 129.45 2gsk h PRO 113 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 2gsk h PRO 113 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.10 2gsk h PRO 113 CO 0.00 0.00 -0.55 0.54 0.10 0.00 0.00 178.00 178.09 2gsk n ARG 114 N -3.58 0.29 -0.31 1.05 5.12 -1.26 -4.24 116.66 113.72 2gsk n ARG 114 Ca 0.01 0.10 0.25 0.00 -1.93 0.00 0.00 57.85 56.28 2gsk n ARG 114 Cb 0.30 -1.70 0.56 0.00 -1.16 0.00 0.00 32.46 30.46 2gsk n ARG 114 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2gsk h SER 115 N 0.00 0.35 0.33 0.55 0.02 -1.68 -2.83 113.55 110.29 2gsk h SER 115 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2gsk h SER 115 Cb 0.75 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2gsk h SER 115 CO 0.00 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 2gsk n ALA 116 N -2.54 2.12 -0.31 3.77 0.00 -1.26 -2.34 120.51 119.95 2gsk n ALA 116 Ca 0.25 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.74 2gsk n ALA 116 Cb 0.94 -1.34 0.40 0.00 0.00 0.00 0.00 19.45 19.45 2gsk n ALA 116 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2gsk h VAL 117 N 0.00 0.71 0.00 0.00 3.04 -1.83 -1.39 116.25 116.79 2gsk h VAL 117 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2gsk h VAL 117 Cb 0.16 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.47 2gsk h VAL 117 CO 0.00 0.12 0.00 -1.22 -1.01 0.00 0.00 177.57 175.46 2gsk n TYR 118 N -4.64 0.00 0.00 3.17 4.01 -0.99 -4.88 117.16 113.83 2gsk n TYR 118 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2gsk n TYR 118 Cb 0.61 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 2gsk n TYR 118 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gsk n GLY 119 N 0.57 3.75 0.20 2.72 0.00 -0.52 -5.00 105.19 106.90 2gsk n GLY 119 Ca 0.16 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2gsk n GLY 119 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gsk h SER 120 N 0.00 0.00 -0.24 1.61 4.64 -1.82 -2.19 113.55 115.54 2gsk h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gsk h SER 120 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2gsk h SER 120 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 2gsk n ASP 121 N -2.45 2.00 -3.89 4.97 5.75 -0.97 0.13 116.55 122.09 2gsk n ASP 121 Ca -0.01 -1.80 -0.42 0.00 -0.01 0.00 0.00 54.79 52.54 2gsk n ASP 121 Cb 0.08 -0.15 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2gsk n ASP 121 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gsk n ALA 122 N 0.55 5.12 -0.13 2.12 0.00 -0.82 -4.65 120.51 122.69 2gsk n ALA 122 Ca 0.16 -3.86 -0.06 0.00 0.00 0.00 0.00 53.44 49.68 2gsk n ALA 122 Cb 0.37 -3.55 0.03 0.00 0.00 0.00 0.00 19.45 16.29 2gsk n ALA 122 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gsk h ILE 123 N 4.31 0.97 0.00 0.00 2.04 -1.77 -3.36 117.51 119.70 2gsk h ILE 123 Ca 0.54 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 66.12 2gsk h ILE 123 Cb 0.68 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2gsk h ILE 123 CO 1.81 0.08 -1.13 0.61 0.00 0.00 0.00 178.15 179.52 2gsk n GLY 124 N -1.23 -0.76 2.31 5.37 0.00 -0.31 -4.80 105.19 105.76 2gsk n GLY 124 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 2gsk n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsk n GLY 125 N 1.48 0.99 2.99 -0.02 0.00 -1.23 -2.51 105.19 106.89 2gsk n GLY 125 Ca -0.23 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 2gsk n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsk s VAL 126 N -2.31 0.98 -0.27 1.61 1.01 0.11 -1.36 120.40 120.18 2gsk s VAL 126 Ca 0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2gsk s VAL 126 Cb -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.47 2gsk s VAL 126 CO 0.04 0.32 -0.00 -0.69 0.00 0.00 0.00 175.10 174.77 2gsk s VAL 127 N 0.74 3.32 -0.38 2.92 1.01 0.25 -1.21 120.40 127.04 2gsk s VAL 127 Ca -0.14 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 2gsk s VAL 127 Cb -0.15 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.58 2gsk s VAL 127 CO 0.03 0.13 0.18 0.21 0.00 0.00 0.00 175.10 175.65 2gsk s ASN 128 N 1.39 5.42 -0.37 3.32 2.47 0.56 -0.30 114.94 127.43 2gsk s ASN 128 Ca 0.01 -1.45 -0.25 0.00 0.42 0.00 0.00 52.86 51.58 2gsk s ASN 128 Cb -0.17 -1.91 0.01 0.00 -1.45 0.00 0.00 41.25 37.74 2gsk s ASN 128 CO -0.01 -0.45 0.88 -0.63 -3.72 0.00 0.00 177.10 173.16 2gsk s ILE 129 N 1.36 4.63 -0.27 -5.21 1.01 0.48 -0.11 121.20 123.10 2gsk s ILE 129 Ca 0.02 1.07 -0.13 0.00 0.00 0.00 0.00 60.65 61.61 2gsk s ILE 129 Cb -0.22 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 2gsk s ILE 129 CO 0.01 -0.51 0.29 -0.63 0.00 0.00 0.00 174.94 174.10 2gsk s ILE 130 N 3.35 5.24 -2.44 2.92 1.01 -0.29 -0.73 121.20 130.26 2gsk s ILE 130 Ca 0.36 0.40 0.27 0.00 0.00 0.00 0.00 60.65 61.68 2gsk s ILE 130 Cb -0.12 -3.62 0.41 0.00 0.01 0.00 0.00 42.46 39.13 2gsk s ILE 130 CO 0.18 0.21 1.60 0.35 0.00 0.00 0.00 174.94 177.28 2gsk n THR 131 N 4.99 0.00 -4.53 2.92 -2.24 -1.26 -1.30 114.28 112.85 2gsk n THR 131 Ca -0.11 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 2gsk n THR 131 Cb 0.51 0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 69.33 2gsk n THR 131 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2gsk s THR 132 N -2.11 3.53 0.17 4.28 -4.23 -1.26 -4.68 115.64 111.34 2gsk s THR 132 Ca 0.33 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 2gsk s THR 132 Cb 0.20 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 2gsk s THR 132 CO 0.37 0.43 0.01 -0.60 -0.54 0.00 0.00 174.62 174.30 2gsk s ARG 133 N -1.29 1.08 -0.61 3.99 3.52 -1.26 -4.78 118.95 119.61 2gsk s ARG 133 Ca 0.16 -1.52 -0.03 0.00 -0.13 0.00 0.00 55.73 54.20 2gsk s ARG 133 Cb -0.11 -0.17 0.16 0.00 -1.56 0.00 0.00 34.95 33.26 2gsk s ARG 133 CO 0.06 -0.16 0.43 0.34 -0.81 0.00 0.00 175.30 175.16 2gsk s ASP 134 N -3.15 5.27 -0.39 -2.12 -1.08 -1.26 -4.98 116.67 108.96 2gsk s ASP 134 Ca 0.24 -2.78 0.05 0.00 -0.52 0.00 0.00 52.55 49.55 2gsk s ASP 134 Cb 0.06 -1.86 0.17 0.00 -1.46 0.00 0.00 42.92 39.83 2gsk s ASP 134 CO 0.04 -0.39 0.48 -0.70 0.52 0.00 0.00 175.17 175.11 2gsk s GLU 135 N 0.05 0.73 0.56 4.34 2.56 -1.26 -5.14 118.70 120.55 2gsk s GLU 135 Ca 0.16 -0.73 -0.20 0.00 0.00 0.00 0.00 54.97 54.20 2gsk s GLU 135 Cb -0.20 -0.45 -0.05 0.00 2.00 0.00 0.00 34.13 35.43 2gsk s GLU 135 CO -0.04 -1.21 1.14 -2.30 -0.56 0.00 0.00 175.26 172.29 2gsk n PRO 136 N 4.17 1.24 0.00 4.30 -0.02 -1.26 -4.59 135.00 138.84 2gsk n PRO 136 Ca 0.12 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2gsk n PRO 136 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2gsk n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsk n GLY 137 N 1.06 0.71 3.21 -1.23 0.00 -0.69 -4.91 105.19 103.33 2gsk n GLY 137 Ca 0.12 -2.32 -0.26 0.00 0.00 0.00 0.00 46.02 43.56 2gsk n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gsk s THR 138 N -0.81 1.55 -0.06 2.61 2.01 -1.26 -0.45 115.64 119.22 2gsk s THR 138 Ca 0.00 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2gsk s THR 138 Cb 0.00 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.23 2gsk s THR 138 CO 0.00 0.39 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.54 2gsk s GLU 139 N -0.59 1.23 -0.16 4.92 2.12 0.26 -0.47 118.70 126.00 2gsk s GLU 139 Ca 0.07 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 2gsk s GLU 139 Cb -0.08 -1.17 -0.02 0.00 0.26 0.00 0.00 34.13 33.13 2gsk s GLU 139 CO -0.00 -0.09 -0.09 -1.50 -0.54 0.00 0.00 175.26 173.04 2gsk s ILE 140 N 1.05 3.35 0.04 -3.70 2.07 0.13 -1.15 121.20 122.98 2gsk s ILE 140 Ca -0.08 -0.54 -0.01 0.00 -1.41 0.00 0.00 60.65 58.61 2gsk s ILE 140 Cb -0.14 -2.45 -0.03 0.00 0.13 0.00 0.00 42.46 39.96 2gsk s ILE 140 CO -0.00 0.49 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.55 2gsk s SER 141 N 0.60 0.38 -0.11 4.50 1.04 -0.09 -0.04 113.70 119.98 2gsk s SER 141 Ca -0.05 -0.77 -0.27 0.00 0.48 0.00 0.00 55.95 55.34 2gsk s SER 141 Cb -0.15 0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.19 2gsk s SER 141 CO 0.03 -0.46 0.63 0.00 0.98 0.00 0.00 173.24 174.42 2gsk s ALA 142 N -2.80 -1.61 -0.09 5.32 0.00 -0.80 -0.94 121.76 120.83 2gsk s ALA 142 Ca -0.03 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 2gsk s ALA 142 Cb -0.00 -0.35 0.10 0.00 0.00 0.00 0.00 23.12 22.88 2gsk s ALA 142 CO -0.06 -0.34 0.87 0.20 0.00 0.00 0.00 175.76 176.43 2gsk s GLY 143 N -0.70 -0.41 0.00 0.00 0.00 -0.45 -1.01 107.32 104.75 2gsk s GLY 143 Ca -0.08 1.58 -0.02 0.00 0.00 0.00 0.00 44.72 46.20 2gsk s GLY 143 CO 0.06 0.86 0.04 -0.98 0.00 0.00 0.00 173.10 173.08 2gsk s TRP 144 N -1.57 0.12 0.15 1.90 0.51 0.66 -1.88 118.94 118.83 2gsk s TRP 144 Ca -0.03 -0.25 -0.03 0.00 -2.12 0.00 0.00 56.10 53.66 2gsk s TRP 144 Cb -0.00 -0.10 0.01 0.00 -0.81 0.00 0.00 33.47 32.57 2gsk s TRP 144 CO 0.02 -0.17 0.26 0.41 -0.51 0.00 0.00 176.95 176.95 2gsk n GLY 145 N 1.94 2.13 3.43 0.98 0.00 -1.03 0.23 105.19 112.86 2gsk n GLY 145 Ca -0.21 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 2gsk n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gsk n SER 146 N -1.55 -1.51 -2.96 1.61 7.64 0.66 -2.88 113.62 114.62 2gsk n SER 146 Ca -0.02 0.67 -0.20 0.00 1.01 0.00 0.00 58.87 60.33 2gsk n SER 146 Cb 0.23 -1.14 0.05 0.00 -1.01 0.00 0.00 64.21 62.35 2gsk n SER 146 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2gsk n ASN 147 N 0.56 -5.75 -2.07 6.43 3.02 -1.26 -2.57 115.26 113.62 2gsk n ASN 147 Ca 0.10 -0.37 -0.18 0.00 -0.03 0.00 0.00 54.58 54.10 2gsk n ASN 147 Cb 0.48 -4.47 -0.04 0.00 -0.61 0.00 0.00 39.78 35.15 2gsk n ASN 147 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2gsk n SER 148 N -2.25 -5.11 -4.68 6.41 7.64 -1.23 -1.21 113.62 113.20 2gsk n SER 148 Ca -0.04 0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.61 2gsk n SER 148 Cb 0.58 -4.38 -0.01 0.00 -1.01 0.00 0.00 64.21 59.39 2gsk n SER 148 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gsk n TYR 149 N -3.20 2.16 -3.70 1.43 9.36 -1.06 -4.42 117.16 117.74 2gsk n TYR 149 Ca -0.20 0.54 -0.14 0.00 3.32 0.00 0.00 57.90 61.42 2gsk n TYR 149 Cb 0.64 -2.41 -0.09 0.00 -0.63 0.00 0.00 39.34 36.85 2gsk n TYR 149 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2gsk s GLN 150 N -1.53 0.62 -0.09 2.98 -0.21 0.84 -2.48 119.66 119.80 2gsk s GLN 150 Ca 0.58 0.51 -0.08 0.00 0.02 0.00 0.00 55.36 56.39 2gsk s GLN 150 Cb -0.60 0.30 0.03 0.00 1.00 0.00 0.00 33.01 33.74 2gsk s GLN 150 CO 0.59 -0.11 0.24 1.21 -2.12 0.00 0.00 175.29 175.11 2gsk s ASN 151 N -0.10 -0.26 -0.04 5.90 3.84 -0.79 -0.63 114.94 122.87 2gsk s ASN 151 Ca -0.03 0.50 -0.01 0.00 0.21 0.00 0.00 52.86 53.53 2gsk s ASN 151 Cb -0.03 0.49 0.03 0.00 -0.55 0.00 0.00 41.25 41.19 2gsk s ASN 151 CO 0.02 -0.09 0.07 -0.31 -2.79 0.00 0.00 177.10 174.00 2gsk s TYR 152 N 0.27 -0.03 -0.05 0.43 2.02 0.15 -1.34 117.35 118.79 2gsk s TYR 152 Ca -0.01 0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.92 2gsk s TYR 152 Cb -0.03 -0.21 0.02 0.00 -0.40 0.00 0.00 41.96 41.34 2gsk s TYR 152 CO -0.01 -0.13 0.13 0.34 -1.57 0.00 0.00 175.55 174.31 2gsk s ASP 153 N 1.23 -0.12 -0.03 2.29 2.15 -0.12 -0.22 116.67 121.85 2gsk s ASP 153 Ca -0.08 0.26 0.03 0.00 0.43 0.00 0.00 52.55 53.19 2gsk s ASP 153 Cb -0.12 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 2gsk s ASP 153 CO -0.04 -0.08 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.08 2gsk s VAL 154 N 0.51 0.88 -0.01 1.11 1.01 -0.46 -0.91 120.40 122.53 2gsk s VAL 154 Ca -0.04 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 2gsk s VAL 154 Cb -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2gsk s VAL 154 CO -0.02 0.27 0.16 -0.94 0.00 0.00 0.00 175.10 174.57 2gsk s SER 155 N 0.16 -0.02 -0.02 3.32 1.04 -0.30 -0.74 113.70 117.14 2gsk s SER 155 Ca -0.03 -0.12 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 2gsk s SER 155 Cb -0.09 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2gsk s SER 155 CO 0.01 -0.35 0.20 0.28 0.98 0.00 0.00 173.24 174.36 2gsk s THR 156 N -1.22 0.06 -0.05 2.02 -1.32 -0.37 -0.58 115.64 114.17 2gsk s THR 156 Ca -0.13 -0.49 -0.02 0.00 -1.21 0.00 0.00 61.69 59.84 2gsk s THR 156 Cb -0.07 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.50 2gsk s THR 156 CO 0.02 -0.27 0.03 -1.58 -2.21 0.00 0.00 174.62 170.61 2gsk s GLN 157 N -1.06 0.24 0.03 7.08 0.74 0.41 -1.22 119.66 125.88 2gsk s GLN 157 Ca -0.11 0.24 -0.04 0.00 0.05 0.00 0.00 55.36 55.50 2gsk s GLN 157 Cb -0.06 -0.71 -0.02 0.00 1.10 0.00 0.00 33.01 33.33 2gsk s GLN 157 CO 0.02 -0.31 0.05 -0.65 -0.55 0.00 0.00 175.29 173.85 2gsk s GLN 158 N 2.02 0.53 -0.04 1.67 -1.52 0.61 -1.71 119.66 121.22 2gsk s GLN 158 Ca 0.04 -0.79 -0.30 0.00 -1.95 0.00 0.00 55.36 52.37 2gsk s GLN 158 Cb -0.12 0.20 -0.02 0.00 -0.22 0.00 0.00 33.01 32.84 2gsk s GLN 158 CO -0.04 -0.12 1.01 -0.65 -0.25 0.00 0.00 175.29 175.24 2gsk s GLN 159 N -2.53 4.49 -0.02 2.91 -1.52 -1.26 -0.59 119.66 121.13 2gsk s GLN 159 Ca -0.06 1.43 0.19 0.00 -1.95 0.00 0.00 55.36 54.97 2gsk s GLN 159 Cb -0.02 -3.49 -0.27 0.00 -0.22 0.00 0.00 33.01 29.01 2gsk s GLN 159 CO -0.04 -0.18 0.48 -0.11 -0.25 0.00 0.00 175.29 175.19 2gsk n LEU 160 N 4.38 0.16 0.00 2.90 7.94 0.12 -4.90 117.00 127.60 2gsk n LEU 160 Ca 0.07 -0.09 -0.03 0.00 -1.11 0.00 0.00 56.01 54.85 2gsk n LEU 160 Cb 0.50 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.46 2gsk n LEU 160 CO 0.52 0.04 0.21 0.61 -1.11 0.00 0.00 177.39 177.66 2gsk n GLY 161 N 1.43 1.55 0.19 -3.96 0.00 -0.96 -4.96 105.19 98.47 2gsk n GLY 161 Ca -0.02 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 44.96 2gsk n GLY 161 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gsk h ASP 162 N 0.73 0.00 -0.06 1.61 3.32 -2.02 -2.72 116.42 117.28 2gsk h ASP 162 Ca -0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2gsk h ASP 162 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2gsk h ASP 162 CO 0.15 0.37 -0.02 0.29 -1.72 0.00 0.00 179.24 178.31 2gsk n LYS 163 N -3.70 1.64 -3.93 3.56 4.76 -1.26 -5.03 118.16 114.20 2gsk n LYS 163 Ca -0.01 -2.67 -0.20 0.00 -2.87 0.00 0.00 58.31 52.56 2gsk n LYS 163 Cb 0.46 -1.58 -0.17 0.00 -1.84 0.00 0.00 35.03 31.91 2gsk n LYS 163 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2gsk s THR 164 N -2.89 0.33 0.05 -0.18 2.01 -1.03 -0.59 115.64 113.35 2gsk s THR 164 Ca 0.34 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.49 2gsk s THR 164 Cb 0.30 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 2gsk s THR 164 CO 0.04 0.21 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.33 2gsk s ARG 165 N 1.36 1.60 -0.08 4.92 3.52 0.10 0.14 118.95 130.51 2gsk s ARG 165 Ca -0.05 -1.08 0.04 0.00 -0.13 0.00 0.00 55.73 54.52 2gsk s ARG 165 Cb -0.13 -1.79 -0.00 0.00 -1.56 0.00 0.00 34.95 31.47 2gsk s ARG 165 CO -0.02 0.46 -0.21 0.54 -0.81 0.00 0.00 175.30 175.25 2gsk s VAL 166 N -0.84 1.81 -0.11 7.11 0.11 0.24 -0.65 120.40 128.06 2gsk s VAL 166 Ca 0.10 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.29 2gsk s VAL 166 Cb -0.10 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2gsk s VAL 166 CO 0.02 0.51 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.18 2gsk s THR 167 N 0.24 2.09 0.07 5.04 2.01 -0.51 -0.28 115.64 124.30 2gsk s THR 167 Ca -0.13 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 60.95 2gsk s THR 167 Cb -0.16 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2gsk s THR 167 CO 0.06 0.56 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.58 2gsk s LEU 168 N 0.46 2.23 -0.19 4.42 1.43 -0.36 0.01 118.68 126.68 2gsk s LEU 168 Ca -0.16 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 2gsk s LEU 168 Cb -0.17 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.17 2gsk s LEU 168 CO 0.06 0.11 0.49 -0.22 0.23 0.00 0.00 176.35 177.02 2gsk s LEU 169 N -1.54 -0.00 0.01 1.79 0.20 -0.21 -1.24 118.68 117.69 2gsk s LEU 169 Ca 0.07 1.01 0.05 0.00 0.69 0.00 0.00 54.13 55.95 2gsk s LEU 169 Cb -0.09 1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 47.31 2gsk s LEU 169 CO 0.03 -0.18 -0.17 -0.83 -0.29 0.00 0.00 176.35 174.91 2gsk s GLY 170 N 0.61 0.86 -0.02 7.98 0.00 0.08 -0.63 107.32 116.21 2gsk s GLY 170 Ca -0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 2gsk s GLY 170 CO -0.04 -0.72 0.03 -0.35 0.00 0.00 0.00 173.10 172.02 2gsk s ASP 171 N -0.75 0.00 -0.12 1.64 -1.08 -0.45 -1.35 116.67 114.56 2gsk s ASP 171 Ca 0.05 0.06 0.02 0.00 -0.52 0.00 0.00 52.55 52.16 2gsk s ASP 171 Cb -0.07 0.02 0.01 0.00 -1.46 0.00 0.00 42.92 41.42 2gsk s ASP 171 CO 0.00 -0.06 -0.18 -0.47 0.52 0.00 0.00 175.17 174.99 2gsk s TYR 172 N 0.44 2.25 -0.04 -5.34 5.04 0.69 -0.55 117.35 119.84 2gsk s TYR 172 Ca -0.04 -1.08 0.03 0.00 -2.44 0.00 0.00 57.07 53.54 2gsk s TYR 172 Cb -0.05 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.69 2gsk s TYR 172 CO -0.01 -0.52 -0.11 0.00 -1.34 0.00 0.00 175.55 173.56 2gsk s ALA 173 N 0.89 1.10 -0.01 3.97 0.00 -0.28 -0.68 121.76 126.76 2gsk s ALA 173 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2gsk s ALA 173 Cb -0.15 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2gsk s ALA 173 CO -0.01 0.16 0.00 -1.58 0.00 0.00 0.00 175.76 174.33 2gsk s HIS 174 N 0.31 0.05 0.01 0.00 5.04 0.20 -0.97 115.29 119.93 2gsk s HIS 174 Ca -0.06 0.02 0.01 0.00 -1.54 0.00 0.00 55.06 53.48 2gsk s HIS 174 Cb -0.11 -0.09 -0.01 0.00 0.04 0.00 0.00 32.58 32.41 2gsk s HIS 174 CO 0.02 -0.03 -0.03 -0.08 -2.34 0.00 0.00 174.74 172.28 2gsk s THR 175 N 0.27 0.17 0.02 0.89 -1.32 0.05 -0.11 115.64 115.62 2gsk s THR 175 Ca -0.02 -0.53 0.30 0.00 -1.21 0.00 0.00 61.69 60.23 2gsk s THR 175 Cb -0.04 -0.23 0.35 0.00 -1.51 0.00 0.00 72.50 71.07 2gsk s THR 175 CO -0.01 -0.23 1.90 0.45 -2.21 0.00 0.00 174.62 174.51 2gsk h HIS 176 N 5.32 0.00 -1.32 9.09 3.86 -1.37 -1.16 115.15 129.57 2gsk h HIS 176 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2gsk h HIS 176 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2gsk h HIS 176 CO 0.54 0.04 0.00 0.41 0.86 0.00 0.00 177.93 179.78 2gsk n GLY 177 N 0.23 -0.41 3.34 2.45 0.00 -1.21 -2.71 105.19 106.87 2gsk n GLY 177 Ca 0.01 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 2gsk n GLY 177 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gsk s TYR 178 N 0.00 1.59 -0.34 1.61 1.13 -1.26 -4.62 117.35 115.46 2gsk s TYR 178 Ca 0.00 -1.27 -0.29 0.00 -1.41 0.00 0.00 57.07 54.10 2gsk s TYR 178 Cb 0.00 -0.90 0.00 0.00 -1.10 0.00 0.00 41.96 39.96 2gsk s TYR 178 CO 0.00 -0.41 1.38 0.34 -2.51 0.00 0.00 175.55 174.35 2gsk s ASP 179 N -3.36 6.49 0.23 -0.18 2.15 -1.26 -1.22 116.67 119.52 2gsk s ASP 179 Ca 0.36 1.08 0.24 0.00 0.43 0.00 0.00 52.55 54.65 2gsk s ASP 179 Cb 0.06 -2.54 0.94 0.00 -0.30 0.00 0.00 42.92 41.08 2gsk s ASP 179 CO 0.16 -1.26 1.72 1.33 -0.17 0.00 0.00 175.17 176.94 2gsk n VAL 180 N 6.62 0.78 0.00 1.11 0.24 -1.26 -4.68 118.33 121.13 2gsk n VAL 180 Ca 0.16 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 2gsk n VAL 180 Cb 0.47 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 2gsk n VAL 180 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2gsk n VAL 181 N -2.20 0.00 -3.57 3.34 0.31 -1.26 -1.06 118.33 113.89 2gsk n VAL 181 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.16 2gsk n VAL 181 Cb 0.27 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.26 2gsk n VAL 181 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gsk n ALA 182 N 0.00 -1.87 -1.68 3.52 0.00 -0.72 -4.72 120.51 115.03 2gsk n ALA 182 Ca 0.00 -0.01 -0.45 0.00 0.00 0.00 0.00 53.44 52.98 2gsk n ALA 182 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 19.45 16.58 2gsk n ALA 182 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2gsk n TYR 183 N -4.33 2.42 -0.81 0.00 9.36 -0.14 -1.81 117.16 121.85 2gsk n TYR 183 Ca -0.23 0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.16 2gsk n TYR 183 Cb 0.65 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 2gsk n TYR 183 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2gsk n GLY 184 N 3.65 0.73 0.00 2.98 0.00 -1.26 -4.45 105.19 106.83 2gsk n GLY 184 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2gsk n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gsk n ASN 185 N 0.00 0.73 -1.06 1.61 3.02 -0.75 -3.61 115.26 115.20 2gsk n ASN 185 Ca 0.00 -1.18 0.08 0.00 -0.03 0.00 0.00 54.58 53.45 2gsk n ASN 185 Cb 0.00 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.43 2gsk n ASN 185 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2gsk n THR 186 N -0.09 1.64 0.00 3.41 -2.24 -1.24 -2.80 114.28 112.96 2gsk n THR 186 Ca 0.00 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 2gsk n THR 186 Cb 0.19 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2gsk n THR 186 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gsk n GLY 187 N 0.49 4.12 0.13 3.38 0.00 -1.26 -1.64 105.19 110.41 2gsk n GLY 187 Ca 0.20 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.41 2gsk n GLY 187 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gsk h THR 188 N 0.00 0.00 -2.33 2.61 1.35 -1.56 -3.46 112.91 109.53 2gsk h THR 188 Ca 0.00 -0.79 -0.05 0.00 -0.55 0.00 0.00 66.41 65.01 2gsk h THR 188 Cb 0.00 1.55 -0.23 0.00 -1.73 0.00 0.00 68.15 67.74 2gsk h THR 188 CO 0.00 0.00 -0.11 -1.58 -0.25 0.00 0.00 175.52 173.58 2gsk s GLN 189 N -3.22 0.58 0.51 4.72 0.74 -1.15 -5.07 119.66 116.78 2gsk s GLN 189 Ca 0.05 0.96 -0.21 0.00 0.05 0.00 0.00 55.36 56.21 2gsk s GLN 189 Cb 0.09 0.12 -0.06 0.00 1.10 0.00 0.00 33.01 34.27 2gsk s GLN 189 CO 0.70 -0.14 1.19 0.00 -0.55 0.00 0.00 175.29 176.50 2gsk s ALA 190 N 1.22 2.82 -0.38 1.58 0.00 -1.26 -4.59 121.76 121.15 2gsk s ALA 190 Ca -0.07 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 2gsk s ALA 190 Cb -0.06 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.74 2gsk s ALA 190 CO -0.12 -0.87 0.15 -0.65 0.00 0.00 0.00 175.76 174.27 2gsk s GLN 191 N -2.95 2.03 0.00 0.00 -0.21 -1.26 -4.98 119.66 112.29 2gsk s GLN 191 Ca 0.69 -1.71 0.29 0.00 0.02 0.00 0.00 55.36 54.65 2gsk s GLN 191 Cb -0.30 -3.47 1.62 0.00 1.00 0.00 0.00 33.01 31.86 2gsk s GLN 191 CO 0.35 -0.97 2.06 0.25 -2.12 0.00 0.00 175.29 174.86 2gsk n THR 192 N 4.57 0.01 -1.55 -0.19 -2.24 -1.26 -4.75 114.28 108.86 2gsk n THR 192 Ca -0.04 -0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 2gsk n THR 192 Cb 0.42 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 2gsk n THR 192 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2gsk n ASP 193 N -0.71 0.69 -4.74 3.42 5.75 -1.26 -4.77 116.55 114.93 2gsk n ASP 193 Ca 0.22 1.12 -0.42 0.00 -0.01 0.00 0.00 54.79 55.70 2gsk n ASP 193 Cb 0.16 -1.23 -0.02 0.00 -1.03 0.00 0.00 41.12 39.00 2gsk n ASP 193 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2gsk s ASN 194 N -0.69 6.42 -0.56 -1.12 0.01 -1.26 -4.13 114.94 113.61 2gsk s ASN 194 Ca 0.60 2.88 -0.06 0.00 -0.71 0.00 0.00 52.86 55.58 2gsk s ASN 194 Cb -0.69 -2.63 0.14 0.00 0.41 0.00 0.00 41.25 38.48 2gsk s ASN 194 CO 0.59 -0.89 0.39 -1.81 -1.51 0.00 0.00 177.10 173.87 2gsk s ASP 195 N 0.61 5.52 0.53 -1.22 1.01 -0.36 -4.87 116.67 117.89 2gsk s ASP 195 Ca 0.65 -2.40 0.01 0.00 0.71 0.00 0.00 52.55 51.51 2gsk s ASP 195 Cb -0.47 -1.93 0.07 0.00 1.01 0.00 0.00 42.92 41.61 2gsk s ASP 195 CO 0.44 -0.52 0.51 0.61 0.21 0.00 0.00 175.17 176.43 2gsk n GLY 196 N 4.16 0.91 3.09 0.21 0.00 -1.10 -4.02 105.19 108.45 2gsk n GLY 196 Ca 0.02 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 2gsk n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gsk s PHE 197 N -1.41 -0.42 -0.12 1.61 5.36 -0.44 -1.22 117.98 121.34 2gsk s PHE 197 Ca 0.34 0.96 0.03 0.00 -0.96 0.00 0.00 56.93 57.30 2gsk s PHE 197 Cb -0.02 0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.74 2gsk s PHE 197 CO 0.23 -0.30 -0.21 -1.17 -1.46 0.00 0.00 175.22 172.31 2gsk s LEU 198 N 1.68 2.01 -0.07 6.12 2.96 0.47 -0.77 118.68 131.08 2gsk s LEU 198 Ca -0.06 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.30 2gsk s LEU 198 Cb -0.11 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.27 2gsk s LEU 198 CO -0.09 0.08 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.43 2gsk s SER 199 N 0.75 1.53 -0.08 3.68 0.15 -0.14 -0.26 113.70 119.32 2gsk s SER 199 Ca -0.10 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.44 2gsk s SER 199 Cb -0.16 -0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 63.59 2gsk s SER 199 CO 0.00 -0.12 -0.23 -0.54 1.20 0.00 0.00 173.24 173.56 2gsk s LYS 200 N 1.49 2.87 0.06 5.44 1.02 -0.68 -1.13 119.74 128.82 2gsk s LYS 200 Ca -0.01 -0.87 0.05 0.00 0.02 0.00 0.00 55.97 55.16 2gsk s LYS 200 Cb -0.13 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 2gsk s LYS 200 CO -0.04 0.28 -0.15 0.99 -0.92 0.00 0.00 175.35 175.51 2gsk s THR 201 N 0.11 1.19 -0.01 2.17 2.01 0.29 -1.74 115.64 119.66 2gsk s THR 201 Ca -0.11 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.66 2gsk s THR 201 Cb -0.16 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.24 2gsk s THR 201 CO 0.06 -0.11 0.04 -0.22 -0.69 0.00 0.00 174.62 173.71 2gsk s LEU 202 N -1.51 1.87 -0.16 4.42 2.96 -0.25 -1.34 118.68 124.68 2gsk s LEU 202 Ca 0.01 -0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 2gsk s LEU 202 Cb -0.09 0.19 0.04 0.00 0.50 0.00 0.00 46.19 46.83 2gsk s LEU 202 CO 0.02 -0.09 0.40 -0.47 -1.32 0.00 0.00 176.35 174.89 2gsk s TYR 203 N -0.33 -0.49 -0.03 5.38 5.04 0.20 -1.72 117.35 125.40 2gsk s TYR 203 Ca -0.04 1.14 -0.02 0.00 -2.44 0.00 0.00 57.07 55.70 2gsk s TYR 203 Cb -0.03 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.47 2gsk s TYR 203 CO -0.00 -0.25 0.07 0.20 -1.34 0.00 0.00 175.55 174.23 2gsk s GLY 204 N 0.56 -0.05 0.02 8.97 0.00 -0.31 -1.05 107.32 115.47 2gsk s GLY 204 Ca -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 2gsk s GLY 204 CO -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 173.10 173.21 2gsk s ALA 205 N 0.01 0.15 -0.09 3.20 0.00 0.10 -1.37 121.76 123.76 2gsk s ALA 205 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2gsk s ALA 205 Cb -0.01 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.32 2gsk s ALA 205 CO 0.00 -0.20 0.02 -1.17 0.00 0.00 0.00 175.76 174.41 2gsk s LEU 206 N -1.72 0.62 0.03 0.00 2.96 -0.30 -1.43 118.68 118.83 2gsk s LEU 206 Ca -0.12 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2gsk s LEU 206 Cb -0.07 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 2gsk s LEU 206 CO -0.02 -0.23 -0.24 -1.83 -1.32 0.00 0.00 176.35 172.71 2gsk s GLU 207 N 1.99 1.94 -0.11 1.98 -1.05 0.17 -1.15 118.70 122.47 2gsk s GLU 207 Ca 0.04 -1.04 -0.05 0.00 -0.15 0.00 0.00 54.97 53.77 2gsk s GLU 207 Cb -0.13 -2.05 0.05 0.00 -0.44 0.00 0.00 34.13 31.56 2gsk s GLU 207 CO -0.06 0.53 0.25 -1.58 0.95 0.00 0.00 175.26 175.35 2gsk s HIS 208 N -0.79 -0.33 -0.41 4.83 5.04 0.64 0.02 115.29 124.29 2gsk s HIS 208 Ca 0.12 0.80 -0.19 0.00 -1.54 0.00 0.00 55.06 54.25 2gsk s HIS 208 Cb -0.10 0.04 0.02 0.00 0.04 0.00 0.00 32.58 32.57 2gsk s HIS 208 CO 0.02 -0.24 0.54 -0.80 -2.34 0.00 0.00 174.74 171.92 2gsk s ASN 209 N 1.36 6.27 0.13 9.88 0.01 0.25 -0.34 114.94 132.50 2gsk s ASN 209 Ca -0.08 -0.40 -0.10 0.00 -0.71 0.00 0.00 52.86 51.57 2gsk s ASN 209 Cb -0.11 -2.27 -0.09 0.00 0.41 0.00 0.00 41.25 39.19 2gsk s ASN 209 CO -0.08 -0.65 1.37 -0.26 -1.51 0.00 0.00 177.10 175.97 2gsk h PHE 210 N 8.74 1.01 -2.34 2.20 0.04 -0.83 -3.46 116.94 122.30 2gsk h PHE 210 Ca -0.26 -0.41 -0.04 0.00 2.80 0.00 0.00 57.97 60.06 2gsk h PHE 210 Cb 1.11 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 2gsk h PHE 210 CO 0.69 1.22 -0.04 0.25 -0.60 0.00 0.00 178.31 179.83 2gsk n THR 211 N -3.95 0.00 0.05 -1.55 -2.24 -0.86 -4.97 114.28 100.75 2gsk n THR 211 Ca -0.06 -0.22 0.01 0.00 -2.27 0.00 0.00 64.05 61.51 2gsk n THR 211 Cb 0.69 0.11 0.33 0.00 -2.10 0.00 0.00 70.33 69.36 2gsk n THR 211 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2gsk h ASP 212 N 0.18 0.38 0.28 3.42 3.04 -1.99 -3.32 116.42 118.41 2gsk h ASP 212 Ca -0.02 -0.08 -0.34 0.00 -3.24 0.00 0.00 57.03 53.36 2gsk h ASP 212 Cb 0.11 -0.10 -0.02 0.00 -1.04 0.00 0.00 39.33 38.28 2gsk h ASP 212 CO 0.03 0.50 -1.81 0.00 -2.04 0.00 0.00 179.24 175.92 2gsk h ALA 213 N 1.55 0.45 -3.10 4.15 0.00 -1.95 -3.47 119.26 116.89 2gsk h ALA 213 Ca 0.08 -1.33 -0.63 0.00 0.00 0.00 0.00 54.91 53.03 2gsk h ALA 213 Cb 0.36 0.55 -0.19 0.00 0.00 0.00 0.00 17.79 18.51 2gsk h ALA 213 CO 0.02 1.31 -0.60 -1.58 0.00 0.00 0.00 179.25 178.40 2gsk s TRP 214 N -2.58 3.15 0.14 0.00 0.52 -1.25 0.11 118.94 119.04 2gsk s TRP 214 Ca -0.15 -0.17 0.04 0.00 0.02 0.00 0.00 56.10 55.84 2gsk s TRP 214 Cb 0.07 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.18 2gsk s TRP 214 CO 0.81 -0.12 -0.10 -1.54 0.02 0.00 0.00 176.95 176.02 2gsk s SER 215 N 1.06 1.72 0.02 2.95 1.04 -0.41 -0.13 113.70 119.95 2gsk s SER 215 Ca 0.04 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.47 2gsk s SER 215 Cb -0.14 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 2gsk s SER 215 CO 0.03 -0.35 -0.04 -0.83 0.98 0.00 0.00 173.24 173.03 2gsk s GLY 216 N -3.15 0.30 0.04 7.32 0.00 0.54 -1.54 107.32 110.83 2gsk s GLY 216 Ca 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 2gsk s GLY 216 CO -0.00 -0.61 -0.02 -0.11 0.00 0.00 0.00 173.10 172.35 2gsk s PHE 217 N -1.20 0.39 -0.02 1.90 -0.71 -0.44 -0.26 117.98 117.65 2gsk s PHE 217 Ca -0.11 -0.80 -0.01 0.00 -1.04 0.00 0.00 56.93 54.96 2gsk s PHE 217 Cb -0.08 -0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.45 2gsk s PHE 217 CO -0.00 -0.29 0.04 0.14 -1.34 0.00 0.00 175.22 173.76 2gsk s VAL 218 N -2.77 -0.01 0.01 -2.49 -7.23 -0.30 -1.32 120.40 106.28 2gsk s VAL 218 Ca -0.04 0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.12 2gsk s VAL 218 Cb -0.00 -0.07 -0.00 0.00 0.56 0.00 0.00 36.38 36.87 2gsk s VAL 218 CO -0.06 0.02 0.11 -0.13 -0.31 0.00 0.00 175.10 174.73 2gsk s ARG 219 N 0.26 0.46 -0.09 4.82 0.52 0.05 -1.15 118.95 123.80 2gsk s ARG 219 Ca -0.02 -0.43 -0.09 0.00 -0.52 0.00 0.00 55.73 54.67 2gsk s ARG 219 Cb -0.03 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.65 2gsk s ARG 219 CO -0.01 -0.10 0.26 0.20 0.02 0.00 0.00 175.30 175.67 2gsk s GLY 220 N -1.39 -0.19 0.16 -3.53 0.00 -0.47 -0.84 107.32 101.06 2gsk s GLY 220 Ca -0.15 0.71 -0.18 0.00 0.00 0.00 0.00 44.72 45.10 2gsk s GLY 220 CO 0.01 0.60 0.49 -2.52 0.00 0.00 0.00 173.10 171.68 2gsk s TYR 221 N 0.08 -0.24 0.22 1.90 1.13 0.41 -1.16 117.35 119.69 2gsk s TYR 221 Ca -0.01 -0.06 -0.20 0.00 -1.41 0.00 0.00 57.07 55.40 2gsk s TYR 221 Cb -0.02 0.37 0.03 0.00 -1.10 0.00 0.00 41.96 41.25 2gsk s TYR 221 CO 0.00 -0.81 0.60 0.20 -2.51 0.00 0.00 175.55 173.03 2gsk s GLY 222 N -2.82 -0.18 0.13 5.49 0.00 -0.70 -0.07 107.32 109.18 2gsk s GLY 222 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 2gsk s GLY 222 CO -0.09 -0.13 0.19 -2.52 0.00 0.00 0.00 173.10 170.55 2gsk s TYR 223 N -3.87 0.42 -0.13 1.90 1.13 -0.36 -1.09 117.35 115.36 2gsk s TYR 223 Ca 0.09 -0.82 -0.03 0.00 -1.41 0.00 0.00 57.07 54.89 2gsk s TYR 223 Cb -0.03 -0.16 0.05 0.00 -1.10 0.00 0.00 41.96 40.72 2gsk s TYR 223 CO -0.01 -0.61 0.06 0.34 -2.51 0.00 0.00 175.55 172.82 2gsk s ASP 224 N -2.95 2.00 -0.08 -0.18 -1.08 -0.71 -1.12 116.67 112.55 2gsk s ASP 224 Ca 0.14 -0.39 0.05 0.00 -0.52 0.00 0.00 52.55 51.83 2gsk s ASP 224 Cb 0.05 -0.28 -0.00 0.00 -1.46 0.00 0.00 42.92 41.22 2gsk s ASP 224 CO -0.04 -0.30 -0.23 0.20 0.52 0.00 0.00 175.17 175.32 2gsk s ASN 225 N 2.09 2.96 -0.13 -0.34 0.01 0.37 -1.69 114.94 118.20 2gsk s ASN 225 Ca 0.03 -0.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 2gsk s ASN 225 Cb -0.15 -1.07 0.01 0.00 0.41 0.00 0.00 41.25 40.45 2gsk s ASN 225 CO -0.07 0.19 -0.22 -0.60 -1.51 0.00 0.00 177.10 174.89 2gsk s ARG 226 N 0.11 3.04 -0.05 -0.60 3.52 0.64 -0.73 118.95 124.88 2gsk s ARG 226 Ca -0.11 -0.86 0.06 0.00 -0.13 0.00 0.00 55.73 54.69 2gsk s ARG 226 Cb -0.16 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 2gsk s ARG 226 CO 0.06 0.05 -0.22 0.99 -0.81 0.00 0.00 175.30 175.37 2gsk s THR 227 N 0.67 1.77 -0.08 4.11 2.01 -0.11 -0.39 115.64 123.61 2gsk s THR 227 Ca -0.11 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 2gsk s THR 227 Cb -0.16 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2gsk s THR 227 CO 0.01 0.50 0.15 0.20 -0.69 0.00 0.00 174.62 174.79 2gsk s ASN 228 N -0.15 6.37 0.00 3.53 0.01 -0.35 -0.61 114.94 123.74 2gsk s ASN 228 Ca -0.02 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 2gsk s ASN 228 Cb -0.12 -2.04 -0.00 0.00 0.41 0.00 0.00 41.25 39.50 2gsk s ASN 228 CO 0.02 0.36 0.00 0.00 -1.51 0.00 0.00 177.10 175.97 2gsk n TYR 229 N 1.62 -0.12 -4.99 2.20 4.11 -0.42 -4.32 117.16 115.25 2gsk n TYR 229 Ca -0.17 -0.01 -0.31 0.00 -0.00 0.00 0.00 57.90 57.41 2gsk n TYR 229 Cb 0.54 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.74 2gsk n TYR 229 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2gsk s ASP 230 N -1.01 3.54 0.23 9.48 1.01 -1.26 -4.77 116.67 123.90 2gsk s ASP 230 Ca 0.00 -0.38 -0.03 0.00 0.71 0.00 0.00 52.55 52.85 2gsk s ASP 230 Cb 0.00 -0.56 -0.03 0.00 1.01 0.00 0.00 42.92 43.34 2gsk s ASP 230 CO 0.00 0.31 0.24 0.00 0.21 0.00 0.00 175.17 175.93 2gsk s ALA 231 N -0.74 0.93 -0.24 5.23 0.00 -1.26 -4.96 121.76 120.71 2gsk s ALA 231 Ca 0.12 -1.56 -0.35 0.00 0.00 0.00 0.00 51.96 50.17 2gsk s ALA 231 Cb -0.10 1.32 -0.11 0.00 0.00 0.00 0.00 23.12 24.22 2gsk s ALA 231 CO 0.01 -0.67 2.04 0.98 0.00 0.00 0.00 175.76 178.12 2gsk n TYR 232 N -0.35 1.94 -3.75 0.00 9.36 -1.12 -4.34 117.16 118.89 2gsk n TYR 232 Ca 0.02 0.17 -0.37 0.00 3.32 0.00 0.00 57.90 61.05 2gsk n TYR 232 Cb 0.64 -2.59 -0.11 0.00 -0.63 0.00 0.00 39.34 36.65 2gsk n TYR 232 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2gsk s TYR 233 N 5.93 3.17 -0.14 2.98 5.04 -0.65 -4.77 117.35 128.91 2gsk s TYR 233 Ca 1.02 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 2gsk s TYR 233 Cb -0.77 -2.25 0.01 0.00 0.35 0.00 0.00 41.96 39.30 2gsk s TYR 233 CO 0.51 -0.18 -0.21 -1.12 -1.34 0.00 0.00 175.55 173.21 2gsk s SER 234 N 1.38 3.16 0.29 4.32 0.01 -1.26 -1.25 113.70 120.36 2gsk s SER 234 Ca 0.06 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.43 2gsk s SER 234 Cb -0.15 -1.46 -0.10 0.00 0.21 0.00 0.00 66.02 64.52 2gsk s SER 234 CO 0.05 0.08 1.44 -2.16 0.41 0.00 0.00 173.24 173.07 2gsk s PRO 235 N 0.81 4.24 0.00 12.44 0.04 -1.26 -2.01 135.00 149.26 2gsk s PRO 235 Ca -0.07 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2gsk s PRO 235 Cb -0.16 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2gsk s PRO 235 CO -0.02 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2gsk n GLY 236 N 1.64 0.81 3.48 0.56 0.00 -1.26 -5.05 105.19 105.38 2gsk n GLY 236 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2gsk n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsk s SER 237 N -2.99 3.69 0.35 1.61 0.01 -0.85 -5.12 113.70 110.40 2gsk s SER 237 Ca 0.00 -0.90 -0.28 0.00 1.31 0.00 0.00 55.95 56.07 2gsk s SER 237 Cb 0.00 -0.37 -0.12 0.00 0.21 0.00 0.00 66.02 65.74 2gsk s SER 237 CO 0.00 0.07 1.38 -2.65 0.41 0.00 0.00 173.24 172.44 2gsk n PRO 238 N -0.31 2.35 -3.78 12.44 -0.02 -1.26 -4.77 135.00 139.65 2gsk n PRO 238 Ca -0.08 0.82 -0.36 0.00 -2.02 0.00 0.00 63.50 61.86 2gsk n PRO 238 Cb 0.58 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 2gsk n PRO 238 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2gsk s LEU 239 N -1.35 5.08 -0.55 2.45 2.96 -1.26 -4.80 118.68 121.21 2gsk s LEU 239 Ca 0.55 -1.89 -0.24 0.00 -0.22 0.00 0.00 54.13 52.33 2gsk s LEU 239 Cb -0.53 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.37 2gsk s LEU 239 CO 0.62 -0.51 0.93 -0.76 -1.32 0.00 0.00 176.35 175.31 2gsk s LEU 240 N 1.18 4.16 0.00 -0.68 1.02 -1.26 -3.94 118.68 119.16 2gsk s LEU 240 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.79 2gsk s LEU 240 Cb -0.22 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.20 2gsk s LEU 240 CO -0.03 -1.22 0.00 -0.67 0.02 0.00 0.00 176.35 174.45 2gsk n ASP 241 N 7.41 0.82 -3.86 2.29 2.03 -0.90 -4.60 116.55 119.74 2gsk n ASP 241 Ca 0.01 -0.20 -0.11 0.00 0.52 0.00 0.00 54.79 55.01 2gsk n ASP 241 Cb 0.47 0.55 -0.11 0.00 -0.72 0.00 0.00 41.12 41.32 2gsk n ASP 241 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2gsk s THR 242 N -0.72 0.06 -0.04 5.18 2.01 -1.09 -1.30 115.64 119.75 2gsk s THR 242 Ca 0.00 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2gsk s THR 242 Cb 0.00 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 2gsk s THR 242 CO 0.00 -0.27 -0.17 -0.60 -0.69 0.00 0.00 174.62 172.89 2gsk s ARG 243 N -0.95 1.72 -0.16 4.92 3.52 0.23 -1.38 118.95 126.84 2gsk s ARG 243 Ca -0.10 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 2gsk s ARG 243 Cb -0.06 -1.52 0.03 0.00 -1.56 0.00 0.00 34.95 31.85 2gsk s ARG 243 CO 0.01 0.27 -0.11 0.21 -0.81 0.00 0.00 175.30 174.87 2gsk s LYS 244 N -0.04 1.96 -0.13 5.12 2.47 0.25 -0.93 119.74 128.44 2gsk s LYS 244 Ca -0.02 -0.60 0.02 0.00 -1.56 0.00 0.00 55.97 53.81 2gsk s LYS 244 Cb -0.11 -2.12 -0.00 0.00 -1.46 0.00 0.00 37.83 34.14 2gsk s LYS 244 CO 0.02 -0.34 -0.19 -1.17 0.16 0.00 0.00 175.35 173.83 2gsk s LEU 245 N 1.51 2.32 -0.06 5.43 2.96 0.09 -0.73 118.68 130.20 2gsk s LEU 245 Ca 0.02 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2gsk s LEU 245 Cb -0.14 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2gsk s LEU 245 CO -0.09 0.12 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.52 2gsk s TYR 246 N 0.60 2.51 -0.04 5.38 2.02 0.17 -0.48 117.35 127.51 2gsk s TYR 246 Ca -0.10 -0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 55.92 2gsk s TYR 246 Cb -0.16 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 2gsk s TYR 246 CO 0.03 -0.16 0.11 0.45 -1.57 0.00 0.00 175.55 174.41 2gsk s SER 247 N -0.19 -0.11 -0.03 2.29 0.15 -0.28 -0.71 113.70 114.83 2gsk s SER 247 Ca -0.02 0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 2gsk s SER 247 Cb -0.14 0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2gsk s SER 247 CO 0.03 -0.05 0.09 0.00 1.20 0.00 0.00 173.24 174.51 2gsk s GLN 248 N 0.17 0.10 0.01 5.44 -2.07 -0.26 -1.22 119.66 121.84 2gsk s GLN 248 Ca -0.01 0.13 0.04 0.00 -1.82 0.00 0.00 55.36 53.70 2gsk s GLN 248 Cb -0.02 0.03 -0.01 0.00 -1.09 0.00 0.00 33.01 31.92 2gsk s GLN 248 CO -0.00 -0.02 -0.12 -1.12 -1.32 0.00 0.00 175.29 172.70 2gsk s SER 249 N 0.11 1.45 -0.03 12.60 0.01 0.91 -1.06 113.70 127.70 2gsk s SER 249 Ca -0.01 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.95 2gsk s SER 249 Cb -0.01 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.11 2gsk s SER 249 CO -0.00 0.09 -0.02 0.26 0.41 0.00 0.00 173.24 173.97 2gsk s TRP 250 N -0.53 0.45 0.05 2.43 0.52 0.82 -0.44 118.94 122.24 2gsk s TRP 250 Ca 0.03 -0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.09 2gsk s TRP 250 Cb -0.06 -0.43 -0.03 0.00 -1.15 0.00 0.00 33.47 31.80 2gsk s TRP 250 CO 0.00 -0.11 -0.07 -0.51 0.02 0.00 0.00 176.95 176.28 2gsk s ASP 251 N 0.65 0.90 -0.08 2.95 1.11 -0.02 0.16 116.67 122.35 2gsk s ASP 251 Ca -0.07 -0.64 -0.15 0.00 0.18 0.00 0.00 52.55 51.86 2gsk s ASP 251 Cb -0.10 0.05 0.03 0.00 1.07 0.00 0.00 42.92 43.97 2gsk s ASP 251 CO -0.01 -0.26 0.38 0.00 1.18 0.00 0.00 175.17 176.46 2gsk s ALA 252 N -1.83 -0.94 0.05 5.23 0.00 -0.34 -0.77 121.76 123.16 2gsk s ALA 252 Ca -0.06 0.76 -0.27 0.00 0.00 0.00 0.00 51.96 52.40 2gsk s ALA 252 Cb -0.07 -0.26 0.09 0.00 0.00 0.00 0.00 23.12 22.87 2gsk s ALA 252 CO -0.01 -0.23 0.75 0.20 0.00 0.00 0.00 175.76 176.47 2gsk s GLY 253 N -0.61 -0.53 -0.04 0.00 0.00 -0.44 -0.90 107.32 104.81 2gsk s GLY 253 Ca -0.07 0.87 0.04 0.00 0.00 0.00 0.00 44.72 45.56 2gsk s GLY 253 CO 0.03 0.35 -0.15 1.08 0.00 0.00 0.00 173.10 174.41 2gsk s LEU 254 N -2.41 1.90 -0.05 0.66 1.43 -0.45 -1.32 118.68 118.42 2gsk s LEU 254 Ca 0.02 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2gsk s LEU 254 Cb -0.01 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.34 2gsk s LEU 254 CO -0.09 0.14 -0.13 -0.13 0.23 0.00 0.00 176.35 176.37 2gsk s ARG 255 N 0.04 1.62 -0.22 1.70 0.52 -0.59 -0.65 118.95 121.37 2gsk s ARG 255 Ca -0.03 -0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 2gsk s ARG 255 Cb -0.11 -1.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.95 2gsk s ARG 255 CO 0.02 0.09 0.13 -0.47 0.02 0.00 0.00 175.30 175.08 2gsk s TYR 256 N 0.45 3.31 -0.48 -0.53 5.04 0.32 -1.29 117.35 124.18 2gsk s TYR 256 Ca -0.11 0.18 0.03 0.00 -2.44 0.00 0.00 57.07 54.73 2gsk s TYR 256 Cb -0.14 -2.20 0.15 0.00 0.35 0.00 0.00 41.96 40.12 2gsk s TYR 256 CO 0.03 0.11 0.30 1.21 -1.34 0.00 0.00 175.55 175.86 2gsk s ASN 257 N 0.78 3.47 0.66 4.32 3.84 0.12 -0.78 114.94 127.34 2gsk s ASN 257 Ca 0.07 -2.89 0.02 0.00 0.21 0.00 0.00 52.86 50.26 2gsk s ASN 257 Cb -0.13 -1.02 0.12 0.00 -0.55 0.00 0.00 41.25 39.67 2gsk s ASN 257 CO 0.02 -0.22 0.84 0.61 -2.79 0.00 0.00 177.10 175.56 2gsk n GLY 258 N 3.18 0.91 0.15 1.21 0.00 0.60 -4.55 105.19 106.69 2gsk n GLY 258 Ca 0.14 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 2gsk n GLY 258 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gsk h GLU 259 N 0.00 0.42 0.00 1.61 4.39 -1.99 -3.36 114.58 115.65 2gsk h GLU 259 Ca -0.28 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.24 2gsk h GLU 259 Cb 1.08 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2gsk h GLU 259 CO 0.32 0.57 -1.58 1.28 -1.16 0.00 0.00 179.01 178.43 2gsk n LEU 260 N -4.67 0.00 -4.27 1.33 7.99 -1.26 -4.89 117.00 111.23 2gsk n LEU 260 Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.65 2gsk n LEU 260 Cb 0.22 0.08 -0.16 0.00 -0.11 0.00 0.00 43.42 43.45 2gsk n LEU 260 CO 0.37 0.08 -0.56 -0.63 -1.51 0.00 0.00 177.39 175.14 2gsk s ILE 261 N -2.61 2.02 -0.02 -0.08 1.01 -1.26 -0.04 121.20 120.22 2gsk s ILE 261 Ca -0.04 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.56 2gsk s ILE 261 Cb 0.06 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2gsk s ILE 261 CO 0.45 0.56 -0.06 -0.54 0.00 0.00 0.00 174.94 175.36 2gsk s LYS 262 N -0.24 0.66 -0.03 2.79 1.02 -0.11 -0.29 119.74 123.54 2gsk s LYS 262 Ca -0.01 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 2gsk s LYS 262 Cb -0.13 -0.65 0.01 0.00 -0.52 0.00 0.00 37.83 36.54 2gsk s LYS 262 CO 0.03 0.06 0.06 0.45 -0.92 0.00 0.00 175.35 175.03 2gsk s SER 263 N 0.25 -0.05 0.02 2.83 0.15 0.04 -0.37 113.70 116.57 2gsk s SER 263 Ca -0.03 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.76 2gsk s SER 263 Cb -0.07 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2gsk s SER 263 CO -0.00 -0.05 -0.07 0.00 1.20 0.00 0.00 173.24 174.33 2gsk s GLN 264 N 0.30 0.48 -0.19 5.44 -2.07 -0.36 -0.52 119.66 122.74 2gsk s GLN 264 Ca -0.02 -0.50 -0.01 0.00 -1.82 0.00 0.00 55.36 53.01 2gsk s GLN 264 Cb -0.03 -0.34 0.05 0.00 -1.09 0.00 0.00 33.01 31.59 2gsk s GLN 264 CO -0.01 0.08 -0.03 -1.17 -1.32 0.00 0.00 175.29 172.84 2gsk s LEU 265 N -0.92 1.74 -0.01 2.60 2.96 0.18 -1.30 118.68 123.93 2gsk s LEU 265 Ca -0.05 -0.81 0.04 0.00 -0.22 0.00 0.00 54.13 53.09 2gsk s LEU 265 Cb -0.06 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 2gsk s LEU 265 CO 0.00 -0.22 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.05 2gsk s ILE 266 N 1.63 1.03 -0.11 6.68 1.01 0.01 -1.34 121.20 130.10 2gsk s ILE 266 Ca -0.01 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2gsk s ILE 266 Cb -0.16 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.45 2gsk s ILE 266 CO -0.07 0.29 -0.19 0.28 0.00 0.00 0.00 174.94 175.25 2gsk s THR 267 N -0.23 1.78 0.02 2.92 -1.32 -0.08 -1.04 115.64 117.69 2gsk s THR 267 Ca 0.04 -0.83 0.04 0.00 -1.21 0.00 0.00 61.69 59.73 2gsk s THR 267 Cb -0.06 -1.58 -0.02 0.00 -1.51 0.00 0.00 72.50 69.34 2gsk s THR 267 CO -0.00 0.50 -0.13 -0.44 -2.21 0.00 0.00 174.62 172.34 2gsk s SER 268 N 0.70 1.51 -0.03 8.08 0.01 0.26 -1.20 113.70 123.03 2gsk s SER 268 Ca -0.12 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2gsk s SER 268 Cb -0.16 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 65.98 2gsk s SER 268 CO 0.02 0.06 -0.01 -0.47 0.41 0.00 0.00 173.24 173.25 2gsk s TYR 269 N -0.69 0.41 -0.04 2.43 5.04 0.12 -1.24 117.35 123.40 2gsk s TYR 269 Ca 0.02 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.63 2gsk s TYR 269 Cb -0.07 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.79 2gsk s TYR 269 CO 0.01 -0.14 -0.11 0.45 -1.34 0.00 0.00 175.55 174.42 2gsk s SER 270 N 0.96 1.50 -0.13 4.32 0.15 -0.50 -0.13 113.70 119.87 2gsk s SER 270 Ca -0.10 -0.24 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 2gsk s SER 270 Cb -0.14 -0.46 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 2gsk s SER 270 CO -0.01 0.08 -0.09 -2.28 1.20 0.00 0.00 173.24 172.13 2gsk s HIS 271 N 0.24 1.76 -0.01 3.44 2.46 -0.22 -0.71 115.29 122.26 2gsk s HIS 271 Ca -0.05 -0.97 0.08 0.00 0.47 0.00 0.00 55.06 54.59 2gsk s HIS 271 Cb -0.10 -1.37 -0.02 0.00 -0.13 0.00 0.00 32.58 30.96 2gsk s HIS 271 CO 0.01 -0.58 -0.26 -1.54 -2.47 0.00 0.00 174.74 169.90 2gsk s SER 272 N 1.62 3.02 -0.09 9.88 1.04 -0.34 -1.10 113.70 127.73 2gsk s SER 272 Ca 0.04 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 2gsk s SER 272 Cb -0.13 -0.32 0.03 0.00 0.10 0.00 0.00 66.02 65.69 2gsk s SER 272 CO -0.09 0.30 -0.03 -0.54 0.98 0.00 0.00 173.24 173.86 2gsk s LYS 273 N -0.71 0.99 -0.31 4.02 1.02 0.12 -1.83 119.74 123.04 2gsk s LYS 273 Ca 0.10 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.06 2gsk s LYS 273 Cb -0.10 -1.23 0.08 0.00 -0.52 0.00 0.00 37.83 36.05 2gsk s LYS 273 CO -0.00 -0.29 -0.01 0.34 -0.92 0.00 0.00 175.35 174.47 2gsk s ASP 274 N 1.86 4.71 -0.14 2.83 2.15 0.10 -0.66 116.67 127.52 2gsk s ASP 274 Ca 0.05 -1.68 -0.06 0.00 0.43 0.00 0.00 52.55 51.30 2gsk s ASP 274 Cb -0.12 -1.63 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 2gsk s ASP 274 CO -0.07 -0.30 0.06 -0.31 -0.17 0.00 0.00 175.17 174.39 2gsk s TYR 275 N 1.07 3.30 -0.14 -5.34 2.02 0.09 -0.06 117.35 118.29 2gsk s TYR 275 Ca -0.00 0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 2gsk s TYR 275 Cb -0.20 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 2gsk s TYR 275 CO -0.05 0.35 -0.20 -0.80 -1.57 0.00 0.00 175.55 173.28 2gsk s ASN 276 N -0.24 3.30 0.24 2.29 0.01 -0.79 -0.58 114.94 119.17 2gsk s ASN 276 Ca 0.08 -0.55 -0.15 0.00 -0.71 0.00 0.00 52.86 51.53 2gsk s ASN 276 Cb -0.12 -1.48 0.01 0.00 0.41 0.00 0.00 41.25 40.07 2gsk s ASN 276 CO 0.01 0.10 0.53 -0.72 -1.51 0.00 0.00 177.10 175.51 2gsk s TYR 277 N 0.72 0.15 -0.32 2.20 1.13 -0.48 -1.20 117.35 119.56 2gsk s TYR 277 Ca -0.09 -0.53 -0.13 0.00 -1.41 0.00 0.00 57.07 54.91 2gsk s TYR 277 Cb -0.16 0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 41.01 2gsk s TYR 277 CO 0.01 -1.02 0.28 0.34 -2.51 0.00 0.00 175.55 172.64 2gsk s ASP 278 N -2.97 6.10 0.51 -0.18 -1.08 -1.25 -2.11 116.67 115.70 2gsk s ASP 278 Ca 0.17 -0.18 0.31 0.00 -0.52 0.00 0.00 52.55 52.33 2gsk s ASP 278 Cb -0.02 -2.16 1.44 0.00 -1.46 0.00 0.00 42.92 40.72 2gsk s ASP 278 CO 0.06 -0.21 1.83 -0.65 0.52 0.00 0.00 175.17 176.72 2gsk h PRO 279 N 8.42 0.08 0.00 4.34 0.11 -1.89 0.12 132.00 143.18 2gsk h PRO 279 Ca -0.32 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.69 2gsk h PRO 279 Cb 1.16 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2gsk h PRO 279 CO 0.63 0.05 -0.46 0.45 -0.21 0.00 0.00 178.00 178.46 2gsk h HIS 280 N 0.08 0.00 0.00 0.65 3.86 -1.94 -3.20 115.15 114.60 2gsk h HIS 280 Ca 0.52 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.67 2gsk h HIS 280 Cb 1.90 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.36 2gsk h HIS 280 CO -0.00 0.46 -1.84 0.66 0.86 0.00 0.00 177.93 178.06 2gsk n TYR 281 N -3.33 0.23 0.00 2.45 4.01 -0.56 -5.10 117.16 114.85 2gsk n TYR 281 Ca 0.01 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2gsk n TYR 281 Cb 0.65 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2gsk n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gsk n GLY 282 N 1.32 1.18 0.23 2.72 0.00 0.31 -4.34 105.19 106.60 2gsk n GLY 282 Ca -0.07 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.28 2gsk n GLY 282 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2gsk h ARG 283 N 0.00 0.00 -0.07 1.61 2.43 -1.89 -3.04 114.38 113.42 2gsk h ARG 283 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gsk h ARG 283 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2gsk h ARG 283 CO 0.00 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 2gsk n TYR 284 N -2.99 0.07 -0.97 2.20 4.01 -1.26 -4.76 117.16 113.46 2gsk n TYR 284 Ca 0.03 -0.07 -0.32 0.00 -0.16 0.00 0.00 57.90 57.38 2gsk n TYR 284 Cb 0.43 -0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.59 2gsk n TYR 284 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2gsk s ASP 285 N -1.09 3.48 0.59 7.72 2.15 -1.15 -4.87 116.67 123.50 2gsk s ASP 285 Ca 0.17 2.18 0.28 0.00 0.43 0.00 0.00 52.55 55.62 2gsk s ASP 285 Cb 0.11 -2.57 1.54 0.00 -0.30 0.00 0.00 42.92 41.71 2gsk s ASP 285 CO 0.17 -2.73 1.98 0.77 -0.17 0.00 0.00 175.17 175.18 2gsk h SER 286 N -1.36 0.00 0.91 -0.34 4.64 -1.92 -2.18 113.55 113.31 2gsk h SER 286 Ca -0.44 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 2gsk h SER 286 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 2gsk h SER 286 CO 0.45 0.00 -0.63 0.77 -0.87 0.00 0.00 176.83 176.55 2gsk h SER 287 N 0.00 0.00 -4.14 4.97 4.64 -1.89 -3.45 113.55 113.68 2gsk h SER 287 Ca 0.17 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.97 2gsk h SER 287 Cb 0.91 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.11 2gsk h SER 287 CO -0.00 0.63 0.43 0.00 -0.87 0.00 0.00 176.83 177.02 2gsk s ALA 288 N -3.28 2.45 0.15 5.18 0.00 -0.82 -4.91 121.76 120.52 2gsk s ALA 288 Ca 0.00 0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.90 2gsk s ALA 288 Cb 0.11 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2gsk s ALA 288 CO 0.75 -1.29 -0.05 0.95 0.00 0.00 0.00 175.76 176.12 2gsk s THR 289 N -1.86 3.53 -0.06 0.00 -4.23 -0.34 -4.96 115.64 107.72 2gsk s THR 289 Ca 0.74 -1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 59.84 2gsk s THR 289 Cb -0.27 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 70.87 2gsk s THR 289 CO 0.37 -0.03 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.18 2gsk s LEU 290 N -2.68 0.89 -0.26 4.79 0.20 -1.25 -1.89 118.68 118.48 2gsk s LEU 290 Ca 0.25 -0.09 -0.09 0.00 0.69 0.00 0.00 54.13 54.89 2gsk s LEU 290 Cb -0.10 -0.41 -0.04 0.00 -0.43 0.00 0.00 46.19 45.21 2gsk s LEU 290 CO 0.16 -0.14 0.12 -1.81 -0.29 0.00 0.00 176.35 174.40 2gsk s ASP 291 N 1.53 5.51 -0.05 3.68 1.01 0.91 -3.79 116.67 125.47 2gsk s ASP 291 Ca -0.02 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.13 2gsk s ASP 291 Cb -0.13 -2.01 0.01 0.00 1.01 0.00 0.00 42.92 41.80 2gsk s ASP 291 CO -0.03 -0.05 -0.10 -0.70 0.21 0.00 0.00 175.17 174.50 2gsk s GLU 292 N 1.67 1.27 -0.00 8.23 2.12 -1.26 0.02 118.70 130.75 2gsk s GLU 292 Ca 0.07 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.10 2gsk s GLU 292 Cb -0.16 -1.12 -0.01 0.00 0.26 0.00 0.00 34.13 33.11 2gsk s GLU 292 CO 0.07 0.04 -0.07 1.41 -0.54 0.00 0.00 175.26 176.17 2gsk s MET 293 N 0.54 0.57 -0.17 4.30 -2.45 -0.76 -2.42 119.30 118.91 2gsk s MET 293 Ca -0.10 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.07 2gsk s MET 293 Cb -0.13 -0.55 0.00 0.00 1.25 0.00 0.00 34.83 35.40 2gsk s MET 293 CO 0.02 0.15 -0.16 0.15 1.05 0.00 0.00 175.02 176.23 2gsk s LYS 294 N -0.21 3.17 -0.06 4.11 1.02 -0.28 -1.20 119.74 126.29 2gsk s LYS 294 Ca 0.02 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.29 2gsk s LYS 294 Cb -0.03 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 2gsk s LYS 294 CO -0.00 -0.05 -0.16 -1.14 -0.92 0.00 0.00 175.35 173.07 2gsk s GLN 295 N 0.98 2.00 -0.08 1.68 0.74 0.12 -1.50 119.66 123.60 2gsk s GLN 295 Ca -0.02 -0.58 0.03 0.00 0.05 0.00 0.00 55.36 54.84 2gsk s GLN 295 Cb -0.15 -1.64 0.01 0.00 1.10 0.00 0.00 33.01 32.33 2gsk s GLN 295 CO -0.03 0.14 -0.18 0.71 -0.55 0.00 0.00 175.29 175.38 2gsk s TYR 296 N 0.37 2.00 -0.00 1.67 2.02 -0.50 -1.41 117.35 121.50 2gsk s TYR 296 Ca -0.12 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 55.83 2gsk s TYR 296 Cb -0.15 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 2gsk s TYR 296 CO 0.04 -0.34 -0.09 0.99 -1.57 0.00 0.00 175.55 174.57 2gsk s THR 297 N 0.50 0.74 -0.09 -0.71 2.01 -0.37 -1.07 115.64 116.65 2gsk s THR 297 Ca -0.17 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.38 2gsk s THR 297 Cb -0.17 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.73 2gsk s THR 297 CO 0.06 0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.38 2gsk s VAL 298 N -0.31 1.00 -0.01 3.82 1.01 0.19 -0.58 120.40 125.53 2gsk s VAL 298 Ca 0.03 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2gsk s VAL 298 Cb -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2gsk s VAL 298 CO -0.00 0.34 -0.26 -1.10 0.00 0.00 0.00 175.10 174.08 2gsk s GLN 299 N 1.22 2.04 -0.17 2.72 -0.21 -0.21 -0.62 119.66 124.43 2gsk s GLN 299 Ca -0.04 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 54.37 2gsk s GLN 299 Cb -0.14 -2.02 0.05 0.00 1.00 0.00 0.00 33.01 31.90 2gsk s GLN 299 CO -0.03 0.55 -0.02 -0.46 -2.12 0.00 0.00 175.29 173.21 2gsk s TRP 300 N -0.64 1.47 0.07 0.91 -0.00 0.18 -0.81 118.94 120.12 2gsk s TRP 300 Ca 0.10 -1.00 0.10 0.00 -0.00 0.00 0.00 56.10 55.30 2gsk s TRP 300 Cb -0.10 -1.20 -0.03 0.00 -0.00 0.00 0.00 33.47 32.13 2gsk s TRP 300 CO -0.00 -0.60 -0.26 0.00 -0.00 0.00 0.00 176.95 176.08 2gsk s ALA 301 N 1.71 2.33 -0.02 5.86 0.00 -0.42 -0.97 121.76 130.25 2gsk s ALA 301 Ca -0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 2gsk s ALA 301 Cb -0.16 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2gsk s ALA 301 CO -0.07 0.54 0.17 -0.80 0.00 0.00 0.00 175.76 175.60 2gsk s ASN 302 N -1.54 -0.07 -0.05 0.00 0.01 -0.26 -1.23 114.94 111.80 2gsk s ASN 302 Ca 0.13 0.02 -0.02 0.00 -0.71 0.00 0.00 52.86 52.28 2gsk s ASN 302 Cb -0.10 0.28 0.03 0.00 0.41 0.00 0.00 41.25 41.87 2gsk s ASN 302 CO 0.04 -0.27 0.11 0.21 -1.51 0.00 0.00 177.10 175.68 2gsk s ASN 303 N -0.85 -0.08 -0.13 -1.22 3.84 0.50 -0.86 114.94 116.15 2gsk s ASN 303 Ca -0.09 0.23 0.02 0.00 0.21 0.00 0.00 52.86 53.23 2gsk s ASN 303 Cb -0.05 0.14 0.01 0.00 -0.55 0.00 0.00 41.25 40.80 2gsk s ASN 303 CO 0.01 -0.12 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.31 2gsk s VAL 304 N 0.91 1.91 0.11 -5.21 1.01 -0.41 -0.94 120.40 117.77 2gsk s VAL 304 Ca -0.07 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.71 2gsk s VAL 304 Cb -0.09 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 2gsk s VAL 304 CO -0.04 0.52 1.27 -0.63 0.00 0.00 0.00 175.10 176.22 2gsk s ILE 305 N 0.82 3.66 -0.25 2.22 1.01 0.94 -1.66 121.20 127.93 2gsk s ILE 305 Ca -0.08 1.23 -0.04 0.00 0.00 0.00 0.00 60.65 61.76 2gsk s ILE 305 Cb -0.16 -3.79 0.09 0.00 0.01 0.00 0.00 42.46 38.61 2gsk s ILE 305 CO -0.01 0.12 0.11 -0.69 0.00 0.00 0.00 174.94 174.47 2gsk s VAL 306 N 0.84 0.02 0.00 2.92 1.01 -0.54 -4.93 120.40 119.72 2gsk s VAL 306 Ca 0.60 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2gsk s VAL 306 Cb -0.33 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2gsk s VAL 306 CO 0.31 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.47 2gsk n GLY 307 N 5.22 2.83 2.81 4.51 0.00 -1.26 -2.67 105.19 116.63 2gsk n GLY 307 Ca -0.06 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2gsk n GLY 307 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2gsk n HIS 308 N 13.76 2.86 0.00 1.61 -0.00 -1.26 -4.79 115.22 127.40 2gsk n HIS 308 Ca 0.00 -2.79 0.00 0.00 -0.00 0.00 0.00 57.72 54.93 2gsk n HIS 308 Cb 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 29.99 28.07 2gsk n HIS 308 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gsk n GLY 309 N 2.64 -0.01 3.65 -1.41 0.00 -1.09 -1.42 105.19 107.55 2gsk n GLY 309 Ca 0.42 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 2gsk n GLY 309 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gsk s SER 310 N -4.00 -0.15 -0.05 1.61 1.04 -0.71 -1.46 113.70 109.97 2gsk s SER 310 Ca 0.00 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.27 2gsk s SER 310 Cb 0.00 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 2gsk s SER 310 CO 0.00 -0.56 -0.18 -0.63 0.98 0.00 0.00 173.24 172.85 2gsk s ILE 311 N -2.84 1.49 0.16 -1.02 1.01 -0.67 -0.99 121.20 118.34 2gsk s ILE 311 Ca 0.12 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.10 2gsk s ILE 311 Cb 0.01 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2gsk s ILE 311 CO -0.02 0.43 -0.16 -0.83 0.00 0.00 0.00 174.94 174.35 2gsk s GLY 312 N 0.10 1.31 0.00 6.18 0.00 0.41 -1.29 107.32 114.02 2gsk s GLY 312 Ca -0.06 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 2gsk s GLY 312 CO 0.03 -1.53 0.65 0.00 0.00 0.00 0.00 173.10 172.25 2gsk s ALA 313 N -2.29 -1.70 0.06 3.20 0.00 -0.04 -0.54 121.76 120.45 2gsk s ALA 313 Ca 0.15 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 2gsk s ALA 313 Cb -0.04 0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.38 2gsk s ALA 313 CO 0.05 -0.46 1.18 0.20 0.00 0.00 0.00 175.76 176.73 2gsk s GLY 314 N -1.56 -0.13 0.01 0.00 0.00 -0.90 -1.10 107.32 103.64 2gsk s GLY 314 Ca -0.08 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.72 2gsk s GLY 314 CO 0.04 2.86 -0.03 -1.34 0.00 0.00 0.00 173.10 174.63 2gsk s VAL 315 N -2.27 0.19 0.08 1.40 -7.23 -0.14 -1.01 120.40 111.42 2gsk s VAL 315 Ca 0.22 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2gsk s VAL 315 Cb -0.00 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 2gsk s VAL 315 CO 0.01 -0.15 -0.01 1.51 -0.31 0.00 0.00 175.10 176.15 2gsk s ASP 316 N -0.59 0.50 -0.05 4.85 1.47 -0.36 -0.65 116.67 121.83 2gsk s ASP 316 Ca -0.05 -1.06 -0.02 0.00 1.18 0.00 0.00 52.55 52.60 2gsk s ASP 316 Cb -0.04 0.22 0.04 0.00 -0.34 0.00 0.00 42.92 42.79 2gsk s ASP 316 CO -0.00 -0.63 0.11 0.86 0.68 0.00 0.00 175.17 176.19 2gsk s TRP 317 N -3.93 -0.10 0.02 2.11 -0.00 0.21 -1.04 118.94 116.21 2gsk s TRP 317 Ca 0.12 0.38 0.03 0.00 -0.00 0.00 0.00 56.10 56.63 2gsk s TRP 317 Cb 0.08 -0.14 -0.01 0.00 -0.00 0.00 0.00 33.47 33.39 2gsk s TRP 317 CO -0.06 -0.15 -0.09 -1.14 -0.00 0.00 0.00 176.95 175.51 2gsk s GLN 318 N 1.19 0.69 -0.04 5.86 0.74 0.31 -0.64 119.66 127.77 2gsk s GLN 318 Ca -0.09 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 54.84 2gsk s GLN 318 Cb -0.12 -0.63 0.01 0.00 1.10 0.00 0.00 33.01 33.37 2gsk s GLN 318 CO -0.05 0.16 -0.12 0.21 -0.55 0.00 0.00 175.29 174.94 2gsk s LYS 319 N -0.73 1.38 -0.08 1.67 2.20 -0.23 -0.22 119.74 123.72 2gsk s LYS 319 Ca -0.00 -0.40 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 2gsk s LYS 319 Cb -0.06 -1.21 -0.00 0.00 -1.51 0.00 0.00 37.83 35.05 2gsk s LYS 319 CO 0.00 0.11 -0.24 -0.65 -0.36 0.00 0.00 175.35 174.22 2gsk s GLN 320 N 0.32 2.83 -0.05 4.03 -0.21 0.21 -1.41 119.66 125.38 2gsk s GLN 320 Ca -0.07 -0.88 0.04 0.00 0.02 0.00 0.00 55.36 54.47 2gsk s GLN 320 Cb -0.12 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 31.67 2gsk s GLN 320 CO 0.02 0.26 -0.16 0.95 -2.12 0.00 0.00 175.29 174.24 2gsk s THR 321 N 0.14 1.32 0.10 -0.19 -4.23 -0.56 0.05 115.64 112.27 2gsk s THR 321 Ca -0.13 -0.64 0.10 0.00 -1.18 0.00 0.00 61.69 59.84 2gsk s THR 321 Cb -0.16 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 2gsk s THR 321 CO 0.07 0.39 -0.26 0.42 -0.54 0.00 0.00 174.62 174.70 2gsk s THR 322 N 0.19 2.11 0.62 3.99 -4.23 -0.51 -1.13 115.64 116.68 2gsk s THR 322 Ca -0.06 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 2gsk s THR 322 Cb -0.12 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2gsk s THR 322 CO 0.03 0.16 1.03 0.42 -0.54 0.00 0.00 174.62 175.71 2gsk s THR 323 N -0.98 4.67 0.17 3.99 -4.23 -1.02 -2.83 115.64 115.41 2gsk s THR 323 Ca 0.12 0.88 -0.33 0.00 -1.18 0.00 0.00 61.69 61.18 2gsk s THR 323 Cb -0.10 -3.84 -0.15 0.00 1.34 0.00 0.00 72.50 69.75 2gsk s THR 323 CO 0.04 -1.12 1.21 -2.65 -0.54 0.00 0.00 174.62 171.57 2gsk n PRO 324 N -2.72 1.26 0.00 3.99 -0.02 -1.26 -1.65 135.00 134.61 2gsk n PRO 324 Ca 0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2gsk n PRO 324 Cb 0.54 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2gsk n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsk n GLY 325 N 2.09 2.85 3.69 -1.23 0.00 0.28 -4.81 105.19 108.06 2gsk n GLY 325 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2gsk n GLY 325 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gsk n THR 326 N -2.00 0.23 -1.63 2.61 -1.04 -0.66 -1.41 114.28 110.39 2gsk n THR 326 Ca 0.00 -0.06 -0.16 0.00 -2.04 0.00 0.00 64.05 61.79 2gsk n THR 326 Cb 0.00 -1.67 -0.06 0.00 -1.82 0.00 0.00 70.33 66.78 2gsk n THR 326 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gsk n GLY 327 N 3.24 1.26 2.32 3.41 0.00 -1.25 -1.54 105.19 112.64 2gsk n GLY 327 Ca 0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 2gsk n GLY 327 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gsk n TYR 328 N -2.81 -1.49 -2.97 1.61 4.01 -0.50 -4.54 117.16 110.46 2gsk n TYR 328 Ca -0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.15 2gsk n TYR 328 Cb 0.55 -2.03 -0.05 0.00 -0.31 0.00 0.00 39.34 37.50 2gsk n TYR 328 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2gsk s VAL 329 N -2.25 4.75 0.24 -0.72 1.01 -0.59 -0.12 120.40 122.72 2gsk s VAL 329 Ca 0.00 0.86 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 2gsk s VAL 329 Cb 0.00 -4.20 0.29 0.00 0.00 0.00 0.00 36.38 32.47 2gsk s VAL 329 CO 0.00 -0.42 1.57 -0.08 0.00 0.00 0.00 175.10 176.17 2gsk h GLU 330 N 8.47 -0.03 -0.50 2.72 4.57 -1.87 0.10 114.58 128.05 2gsk h GLU 330 Ca -0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2gsk h GLU 330 Cb 1.09 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2gsk h GLU 330 CO 0.91 -0.02 0.00 -0.25 -1.18 0.00 0.00 179.01 178.47 2gsk n ASP 331 N -5.52 3.37 -0.14 1.04 9.92 -1.26 -1.73 116.55 122.23 2gsk n ASP 331 Ca 0.11 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.39 2gsk n ASP 331 Cb 0.42 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 2gsk n ASP 331 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gsk n GLY 332 N 1.09 -1.41 3.64 0.44 0.00 -0.76 -4.02 105.19 104.17 2gsk n GLY 332 Ca 0.18 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 2gsk n GLY 332 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gsk s TYR 333 N 0.00 -0.06 -0.09 1.61 1.13 -1.13 -4.95 117.35 113.87 2gsk s TYR 333 Ca 0.00 -0.32 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 2gsk s TYR 333 Cb 0.00 0.46 0.02 0.00 -1.10 0.00 0.00 41.96 41.33 2gsk s TYR 333 CO 0.00 -1.03 -0.12 0.34 -2.51 0.00 0.00 175.55 172.23 2gsk s ASP 334 N -2.91 2.00 -0.05 -0.18 -1.08 -1.26 -1.43 116.67 111.76 2gsk s ASP 334 Ca 0.12 -0.33 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 2gsk s ASP 334 Cb -0.03 -0.88 0.02 0.00 -1.46 0.00 0.00 42.92 40.57 2gsk s ASP 334 CO 0.02 -0.01 -0.08 -1.58 0.52 0.00 0.00 175.17 174.05 2gsk s GLN 335 N 0.97 1.24 0.04 4.34 0.74 0.11 -4.99 119.66 122.11 2gsk s GLN 335 Ca -0.08 -0.26 0.07 0.00 0.05 0.00 0.00 55.36 55.14 2gsk s GLN 335 Cb -0.15 -1.10 -0.02 0.00 1.10 0.00 0.00 33.01 32.84 2gsk s GLN 335 CO -0.00 -0.02 -0.21 1.03 -0.55 0.00 0.00 175.29 175.54 2gsk s ARG 336 N 0.75 1.42 -0.07 1.67 0.52 -1.26 0.66 118.95 122.64 2gsk s ARG 336 Ca -0.13 -0.92 -0.04 0.00 -0.52 0.00 0.00 55.73 54.12 2gsk s ARG 336 Cb -0.15 -1.52 0.03 0.00 0.52 0.00 0.00 34.95 33.83 2gsk s ARG 336 CO 0.02 0.39 0.16 1.21 0.02 0.00 0.00 175.30 177.10 2gsk s ASN 337 N -1.11 -0.15 -0.10 0.23 2.47 0.70 -1.35 114.94 115.63 2gsk s ASN 337 Ca 0.07 0.33 0.03 0.00 0.42 0.00 0.00 52.86 53.72 2gsk s ASN 337 Cb -0.09 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.00 2gsk s ASN 337 CO 0.02 -0.10 -0.21 -0.89 -3.72 0.00 0.00 177.10 172.20 2gsk s THR 338 N 0.63 1.82 0.05 -5.21 2.01 -0.60 -0.53 115.64 113.82 2gsk s THR 338 Ca -0.05 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.13 2gsk s THR 338 Cb -0.06 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2gsk s THR 338 CO -0.03 0.51 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.44 2gsk s GLY 339 N 0.49 0.76 0.00 4.40 0.00 -0.20 0.22 107.32 113.00 2gsk s GLY 339 Ca -0.16 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.71 2gsk s GLY 339 CO 0.06 -0.88 -0.08 -1.50 0.00 0.00 0.00 173.10 170.70 2gsk s ILE 340 N -1.07 0.65 0.06 0.90 2.07 -0.09 -1.22 121.20 122.49 2gsk s ILE 340 Ca -0.01 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 58.74 2gsk s ILE 340 Cb -0.09 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 2gsk s ILE 340 CO 0.02 0.09 -0.05 -0.72 -1.91 0.00 0.00 174.94 172.36 2gsk s TYR 341 N -0.39 0.62 0.01 3.50 1.13 -0.18 -0.36 117.35 121.68 2gsk s TYR 341 Ca 0.01 -0.83 0.02 0.00 -1.41 0.00 0.00 57.07 54.86 2gsk s TYR 341 Cb -0.04 -0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 40.41 2gsk s TYR 341 CO -0.00 -0.22 -0.06 -1.17 -2.51 0.00 0.00 175.55 171.59 2gsk s LEU 342 N -2.49 2.07 0.03 -3.49 2.96 -0.44 -2.11 118.68 115.19 2gsk s LEU 342 Ca 0.02 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2gsk s LEU 342 Cb 0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 2gsk s LEU 342 CO -0.05 0.00 -0.05 0.42 -1.32 0.00 0.00 176.35 175.35 2gsk s THR 343 N -0.41 0.28 -0.01 3.68 -4.23 0.30 -1.57 115.64 113.67 2gsk s THR 343 Ca -0.01 -0.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.47 2gsk s THR 343 Cb -0.04 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.40 2gsk s THR 343 CO -0.00 -0.46 0.10 -0.83 -0.54 0.00 0.00 174.62 172.89 2gsk s GLY 344 N -1.51 0.03 -0.13 3.99 0.00 -0.06 -0.45 107.32 109.19 2gsk s GLY 344 Ca -0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.48 2gsk s GLY 344 CO -0.00 -0.12 0.31 -2.27 0.00 0.00 0.00 173.10 171.01 2gsk s LEU 345 N -0.83 0.28 -0.25 0.66 2.96 -0.16 -1.65 118.68 119.69 2gsk s LEU 345 Ca -0.09 0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 54.36 2gsk s LEU 345 Cb -0.05 0.98 0.09 0.00 0.50 0.00 0.00 46.19 47.70 2gsk s LEU 345 CO 0.01 -0.17 0.58 -1.58 -1.32 0.00 0.00 176.35 173.87 2gsk s GLN 346 N 1.21 0.56 -0.14 1.98 2.00 0.14 -1.75 119.66 123.66 2gsk s GLN 346 Ca -0.09 1.17 -0.21 0.00 -2.00 0.00 0.00 55.36 54.24 2gsk s GLN 346 Cb -0.09 0.33 -0.03 0.00 0.80 0.00 0.00 33.01 34.02 2gsk s GLN 346 CO -0.09 -0.18 0.61 -1.14 -0.50 0.00 0.00 175.29 173.99 2gsk s GLN 347 N 2.06 4.31 -0.23 1.67 0.74 -0.51 -0.47 119.66 127.24 2gsk s GLN 347 Ca -0.08 0.65 -0.00 0.00 0.05 0.00 0.00 55.36 55.98 2gsk s GLN 347 Cb -0.09 -3.50 0.06 0.00 1.10 0.00 0.00 33.01 30.59 2gsk s GLN 347 CO -0.17 -0.05 -0.01 0.08 -0.55 0.00 0.00 175.29 174.59 2gsk s VAL 348 N 1.25 1.22 0.00 1.34 1.01 0.26 -4.67 120.40 120.81 2gsk s VAL 348 Ca 0.31 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2gsk s VAL 348 Cb -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2gsk s VAL 348 CO 0.13 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2gsk n GLY 349 N 4.78 3.65 0.77 4.51 0.00 -1.26 -1.29 105.19 116.35 2gsk n GLY 349 Ca -0.10 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2gsk n GLY 349 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gsk n ASP 350 N 6.01 2.28 -4.68 1.61 8.00 -1.26 -4.88 116.55 123.63 2gsk n ASP 350 Ca 0.00 -1.87 -0.35 0.00 0.71 0.00 0.00 54.79 53.28 2gsk n ASP 350 Cb 0.00 -0.21 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 2gsk n ASP 350 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2gsk s PHE 351 N -1.58 3.23 -0.03 1.24 0.08 -0.41 -1.17 117.98 119.33 2gsk s PHE 351 Ca 0.33 0.17 0.07 0.00 0.12 0.00 0.00 56.93 57.61 2gsk s PHE 351 Cb 0.18 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2gsk s PHE 351 CO 0.25 0.39 -0.24 0.99 -0.10 0.00 0.00 175.22 176.51 2gsk s THR 352 N -0.52 1.90 -0.01 0.64 2.01 -0.36 0.91 115.64 120.20 2gsk s THR 352 Ca 0.10 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2gsk s THR 352 Cb -0.12 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 2gsk s THR 352 CO 0.02 0.54 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.99 2gsk s PHE 353 N -0.44 1.22 -0.01 4.92 0.08 0.39 -0.01 117.98 124.13 2gsk s PHE 353 Ca 0.06 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 2gsk s PHE 353 Cb -0.10 -0.79 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 2gsk s PHE 353 CO 0.00 -0.03 0.22 -2.00 -0.10 0.00 0.00 175.22 173.31 2gsk s GLU 354 N -0.26 0.57 -0.27 0.44 2.56 -0.14 -0.68 118.70 120.91 2gsk s GLU 354 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 54.97 54.48 2gsk s GLU 354 Cb -0.06 0.24 0.10 0.00 2.00 0.00 0.00 34.13 36.41 2gsk s GLU 354 CO -0.00 -0.15 0.87 0.20 -0.56 0.00 0.00 175.26 175.62 2gsk s GLY 355 N -1.32 -0.35 0.02 -1.50 0.00 -0.66 -0.71 107.32 102.79 2gsk s GLY 355 Ca -0.14 2.32 -0.11 0.00 0.00 0.00 0.00 44.72 46.79 2gsk s GLY 355 CO 0.03 1.76 0.23 0.00 0.00 0.00 0.00 173.10 175.12 2gsk s ALA 356 N 0.24 -0.52 -0.08 3.20 0.00 -0.14 -0.89 121.76 123.57 2gsk s ALA 356 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 2gsk s ALA 356 Cb -0.05 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.28 2gsk s ALA 356 CO -0.02 -0.30 0.25 0.00 0.00 0.00 0.00 175.76 175.68 2gsk s ALA 357 N -1.94 -0.62 0.02 0.00 0.00 -0.61 -0.85 121.76 117.77 2gsk s ALA 357 Ca -0.10 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2gsk s ALA 357 Cb -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2gsk s ALA 357 CO -0.00 -0.14 -0.04 -0.98 0.00 0.00 0.00 175.76 174.60 2gsk s ARG 358 N -0.12 0.35 -0.03 0.00 1.70 0.28 -1.33 118.95 119.80 2gsk s ARG 358 Ca -0.02 -0.65 0.04 0.00 -0.47 0.00 0.00 55.73 54.62 2gsk s ARG 358 Cb -0.03 0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 34.40 2gsk s ARG 358 CO 0.01 -0.04 -0.15 0.45 -1.08 0.00 0.00 175.30 174.49 2gsk s SER 359 N -1.53 1.87 -0.08 -2.89 0.15 0.51 -1.47 113.70 110.25 2gsk s SER 359 Ca -0.14 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.25 2gsk s SER 359 Cb -0.09 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 2gsk s SER 359 CO -0.01 0.16 -0.20 -1.81 1.20 0.00 0.00 173.24 172.58 2gsk s ASP 360 N -0.12 2.59 -0.38 5.45 1.01 -0.42 -0.92 116.67 123.88 2gsk s ASP 360 Ca 0.01 -0.45 -0.11 0.00 0.71 0.00 0.00 52.55 52.70 2gsk s ASP 360 Cb -0.09 -1.06 0.03 0.00 1.01 0.00 0.00 42.92 42.81 2gsk s ASP 360 CO 0.01 0.13 0.22 -1.81 0.21 0.00 0.00 175.17 173.93 2gsk s ASP 361 N 0.32 5.77 -0.14 0.27 1.11 0.13 -1.04 116.67 123.10 2gsk s ASP 361 Ca -0.14 -1.00 -0.05 0.00 0.18 0.00 0.00 52.55 51.54 2gsk s ASP 361 Cb -0.16 -2.04 -0.04 0.00 1.07 0.00 0.00 42.92 41.76 2gsk s ASP 361 CO 0.06 -0.40 0.05 0.21 1.18 0.00 0.00 175.17 176.27 2gsk s ASN 362 N 1.57 5.61 0.60 0.27 3.84 -0.14 -1.56 114.94 125.13 2gsk s ASN 362 Ca 0.02 0.17 0.40 0.00 0.21 0.00 0.00 52.86 53.66 2gsk s ASN 362 Cb -0.19 -1.81 2.08 0.00 -0.55 0.00 0.00 41.25 40.78 2gsk s ASN 362 CO 0.07 0.29 2.21 0.77 -2.79 0.00 0.00 177.10 177.65 2gsk h SER 363 N 5.85 0.00 0.00 -4.21 4.64 -1.53 -0.05 113.55 118.25 2gsk h SER 363 Ca -0.45 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.64 2gsk h SER 363 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2gsk h SER 363 CO 0.62 0.00 -1.85 1.67 -0.87 0.00 0.00 176.83 176.40 2gsk n GLN 364 N -2.95 0.36 0.00 4.77 -0.06 -1.26 -4.80 117.38 113.44 2gsk n GLN 364 Ca -0.02 0.10 0.08 0.00 -2.00 0.00 0.00 57.00 55.16 2gsk n GLN 364 Cb 0.11 -1.24 -0.06 0.00 -4.06 0.00 0.00 30.24 24.99 2gsk n GLN 364 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2gsk n PHE 365 N -3.10 0.00 -3.11 3.69 3.72 -1.15 -5.08 117.46 112.43 2gsk n PHE 365 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2gsk n PHE 365 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 2gsk n PHE 365 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gsk n GLY 366 N 1.30 -1.26 3.70 1.37 0.00 -0.05 -4.90 105.19 105.36 2gsk n GLY 366 Ca 0.05 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 2gsk n GLY 366 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gsk s ARG 367 N 0.00 4.18 -0.01 1.61 3.52 -1.26 -0.96 118.95 126.03 2gsk s ARG 367 Ca 0.00 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 2gsk s ARG 367 Cb 0.00 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 2gsk s ARG 367 CO 0.00 0.17 -0.03 -1.01 -0.81 0.00 0.00 175.30 173.63 2gsk s HIS 368 N 0.70 0.33 0.07 5.12 3.76 -0.21 -4.99 115.29 120.08 2gsk s HIS 368 Ca 0.12 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.03 2gsk s HIS 368 Cb -0.13 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 2gsk s HIS 368 CO 0.03 -0.05 -0.04 0.20 -0.85 0.00 0.00 174.74 174.04 2gsk s GLY 369 N 0.25 1.85 0.11 -2.22 0.00 -1.26 -1.30 107.32 104.75 2gsk s GLY 369 Ca -0.02 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2gsk s GLY 369 CO -0.01 -1.06 -0.07 -0.51 0.00 0.00 0.00 173.10 171.46 2gsk s THR 370 N -1.21 0.81 0.09 0.90 -4.23 -0.54 -4.96 115.64 106.50 2gsk s THR 370 Ca 0.22 -1.97 -0.24 0.00 -1.18 0.00 0.00 61.69 58.53 2gsk s THR 370 Cb -0.11 -1.74 0.06 0.00 1.34 0.00 0.00 72.50 72.05 2gsk s THR 370 CO 0.14 -0.83 0.58 -1.66 -0.54 0.00 0.00 174.62 172.32 2gsk s TRP 371 N -3.56 -0.51 0.01 3.99 1.48 -1.26 -0.55 118.94 118.54 2gsk s TRP 371 Ca 0.13 0.48 -0.10 0.00 -1.06 0.00 0.00 56.10 55.56 2gsk s TRP 371 Cb 0.05 0.46 0.01 0.00 -1.16 0.00 0.00 33.47 32.82 2gsk s TRP 371 CO -0.03 -0.74 0.21 -0.65 -4.06 0.00 0.00 176.95 171.67 2gsk s GLN 372 N -2.96 0.59 0.02 3.25 1.11 -0.03 -0.57 119.66 121.07 2gsk s GLN 372 Ca -0.03 -0.38 -0.00 0.00 0.01 0.00 0.00 55.36 54.96 2gsk s GLN 372 Cb -0.00 0.25 -0.02 0.00 -1.01 0.00 0.00 33.01 32.22 2gsk s GLN 372 CO -0.06 -0.16 -0.03 0.95 0.01 0.00 0.00 175.29 176.01 2gsk s THR 373 N -1.61 0.12 -0.00 -0.19 -4.23 -0.21 -0.96 115.64 108.56 2gsk s THR 373 Ca -0.12 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 2gsk s THR 373 Cb -0.06 -0.40 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 2gsk s THR 373 CO 0.01 -0.55 -0.10 -0.44 -0.54 0.00 0.00 174.62 172.99 2gsk s SER 374 N -1.62 1.23 -0.09 3.99 0.01 0.11 -1.16 113.70 116.17 2gsk s SER 374 Ca -0.13 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 56.93 2gsk s SER 374 Cb -0.08 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.04 2gsk s SER 374 CO -0.02 0.11 -0.13 0.00 0.41 0.00 0.00 173.24 173.61 2gsk s ALA 375 N -0.32 1.45 0.07 1.44 0.00 -0.39 -0.97 121.76 123.04 2gsk s ALA 375 Ca 0.03 -0.56 0.09 0.00 0.00 0.00 0.00 51.96 51.52 2gsk s ALA 375 Cb -0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2gsk s ALA 375 CO -0.00 -0.02 -0.22 0.20 0.00 0.00 0.00 175.76 175.72 2gsk s GLY 376 N 0.92 1.55 -0.06 0.00 0.00 0.99 -0.98 107.32 109.74 2gsk s GLY 376 Ca -0.09 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.35 2gsk s GLY 376 CO 0.00 -1.21 -0.06 0.86 0.00 0.00 0.00 173.10 172.70 2gsk s TRP 377 N -0.96 0.98 -0.56 1.90 -0.00 0.19 -1.23 118.94 119.27 2gsk s TRP 377 Ca 0.14 -0.34 -0.18 0.00 -0.00 0.00 0.00 56.10 55.73 2gsk s TRP 377 Cb -0.10 -0.84 0.11 0.00 -0.00 0.00 0.00 33.47 32.63 2gsk s TRP 377 CO 0.05 -0.27 0.60 -2.00 -0.00 0.00 0.00 176.95 175.34 2gsk s GLU 378 N 1.11 3.03 0.10 5.86 2.12 -0.32 -1.13 118.70 129.47 2gsk s GLU 378 Ca -0.08 -1.42 0.22 0.00 0.36 0.00 0.00 54.97 54.05 2gsk s GLU 378 Cb -0.14 -4.25 -0.14 0.00 0.26 0.00 0.00 34.13 29.86 2gsk s GLU 378 CO -0.01 -1.40 0.80 1.97 -0.54 0.00 0.00 175.26 176.08 2gsk n PHE 379 N 5.86 0.62 -3.94 5.30 -1.74 -0.95 -4.79 117.46 117.82 2gsk n PHE 379 Ca -0.11 0.18 -0.12 0.00 -0.56 0.00 0.00 57.45 56.84 2gsk n PHE 379 Cb 0.42 -0.82 -0.13 0.00 1.52 0.00 0.00 39.48 40.47 2gsk n PHE 379 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2gsk s ILE 380 N -3.36 0.11 0.12 1.97 1.01 -1.25 -5.06 121.20 114.74 2gsk s ILE 380 Ca -0.04 -0.26 -0.35 0.00 0.00 0.00 0.00 60.65 60.00 2gsk s ILE 380 Cb 0.11 -0.14 -0.16 0.00 0.01 0.00 0.00 42.46 42.29 2gsk s ILE 380 CO 0.83 -0.10 1.42 1.21 0.00 0.00 0.00 174.94 178.30 2gsk n GLU 381 N 2.70 1.52 0.00 2.79 4.07 -1.26 -0.21 120.64 130.25 2gsk n GLU 381 Ca -0.15 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 2gsk n GLU 381 Cb 0.59 -2.23 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 2gsk n GLU 381 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gsk n GLY 382 N 2.79 2.59 3.31 8.31 0.00 -1.26 -4.99 105.19 115.93 2gsk n GLY 382 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2gsk n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gsk s TYR 383 N -2.32 2.68 0.07 1.61 2.02 0.71 -3.47 117.35 118.64 2gsk s TYR 383 Ca 0.00 -0.80 0.08 0.00 -0.37 0.00 0.00 57.07 55.98 2gsk s TYR 383 Cb 0.00 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 2gsk s TYR 383 CO 0.00 -0.28 -0.20 1.03 -1.57 0.00 0.00 175.55 174.53 2gsk s ARG 384 N 0.26 1.23 -0.15 -0.62 0.52 -0.58 -2.23 118.95 117.38 2gsk s ARG 384 Ca -0.13 -1.04 -0.03 0.00 -0.52 0.00 0.00 55.73 54.02 2gsk s ARG 384 Cb -0.16 -1.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 2gsk s ARG 384 CO 0.07 0.34 -0.06 0.12 0.02 0.00 0.00 175.30 175.79 2gsk s PHE 385 N -0.98 2.98 -0.11 -0.53 5.36 -0.28 -1.09 117.98 123.33 2gsk s PHE 385 Ca 0.06 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 55.67 2gsk s PHE 385 Cb -0.09 -1.93 0.02 0.00 -0.34 0.00 0.00 43.02 40.67 2gsk s PHE 385 CO 0.03 -0.08 -0.13 0.42 -1.46 0.00 0.00 175.22 174.01 2gsk s ILE 386 N 0.36 1.35 -0.01 3.12 1.01 -0.26 0.56 121.20 127.33 2gsk s ILE 386 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2gsk s ILE 386 Cb -0.15 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 2gsk s ILE 386 CO 0.04 0.42 -0.05 0.00 0.00 0.00 0.00 174.94 175.34 2gsk s ALA 387 N 1.21 3.08 0.02 9.38 0.00 -0.15 -0.62 121.76 134.68 2gsk s ALA 387 Ca -0.03 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 2gsk s ALA 387 Cb -0.14 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.82 2gsk s ALA 387 CO -0.04 0.62 0.45 -1.54 0.00 0.00 0.00 175.76 175.24 2gsk s SER 388 N -1.38 -0.34 -0.05 0.00 1.04 -0.20 -1.26 113.70 111.51 2gsk s SER 388 Ca 0.17 0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.69 2gsk s SER 388 Cb -0.11 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2gsk s SER 388 CO 0.07 -0.61 0.17 -0.47 0.98 0.00 0.00 173.24 173.38 2gsk s TYR 389 N -1.99 -0.16 0.21 5.02 5.04 -0.31 -0.93 117.35 124.22 2gsk s TYR 389 Ca -0.08 0.37 -0.23 0.00 -2.44 0.00 0.00 57.07 54.69 2gsk s TYR 389 Cb -0.02 0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.39 2gsk s TYR 389 CO 0.01 -0.13 0.81 0.20 -1.34 0.00 0.00 175.55 175.11 2gsk s GLY 390 N -0.17 -0.21 0.32 8.97 0.00 -0.61 -1.04 107.32 114.58 2gsk s GLY 390 Ca -0.03 -0.00 0.09 0.00 0.00 0.00 0.00 44.72 44.78 2gsk s GLY 390 CO 0.01 -0.01 0.04 -0.51 0.00 0.00 0.00 173.10 172.63 2gsk s THR 391 N -3.62 2.94 0.19 0.90 -4.23 0.26 -1.66 115.64 110.43 2gsk s THR 391 Ca 0.10 -1.89 -0.16 0.00 -1.18 0.00 0.00 61.69 58.57 2gsk s THR 391 Cb -0.04 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.98 2gsk s THR 391 CO 0.03 -0.24 0.48 -0.94 -0.54 0.00 0.00 174.62 173.41 2gsk s SER 392 N -3.74 -0.20 -0.25 3.99 1.04 -0.70 -4.15 113.70 109.68 2gsk s SER 392 Ca 0.35 -0.56 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 2gsk s SER 392 Cb -0.02 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.75 2gsk s SER 392 CO 0.20 -1.03 0.56 -0.47 0.98 0.00 0.00 173.24 173.48 2gsk s TYR 393 N -3.89 -1.03 -0.14 5.02 5.04 0.12 -1.42 117.35 121.05 2gsk s TYR 393 Ca 0.11 1.92 -0.02 0.00 -2.44 0.00 0.00 57.07 56.64 2gsk s TYR 393 Cb -0.00 0.56 0.04 0.00 0.35 0.00 0.00 41.96 42.91 2gsk s TYR 393 CO -0.02 -0.54 0.01 0.21 -1.34 0.00 0.00 175.55 173.87 2gsk s LYS 394 N 2.36 0.77 0.38 4.97 2.20 0.64 -2.30 119.74 128.76 2gsk s LYS 394 Ca -0.06 -0.21 -0.22 0.00 -0.36 0.00 0.00 55.97 55.11 2gsk s LYS 394 Cb -0.10 -1.62 -0.10 0.00 -1.51 0.00 0.00 37.83 34.49 2gsk s LYS 394 CO -0.17 -0.46 0.92 0.00 -0.36 0.00 0.00 175.35 175.28 2gsk s ALA 395 N 1.87 3.13 0.63 3.13 0.00 -1.26 -0.14 121.76 129.11 2gsk s ALA 395 Ca 0.02 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 2gsk s ALA 395 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2gsk s ALA 395 CO -0.07 0.17 1.27 -2.30 0.00 0.00 0.00 175.76 174.83 2gsk n PRO 396 N -0.20 1.17 -1.57 0.00 -0.02 -1.26 -4.91 135.00 128.21 2gsk n PRO 396 Ca 0.05 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 2gsk n PRO 396 Cb 0.53 -2.51 0.07 0.00 -0.02 0.00 0.00 33.50 31.58 2gsk n PRO 396 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2gsk s ASN 397 N -1.30 4.54 0.47 2.55 2.20 -1.26 -4.94 114.94 117.20 2gsk s ASN 397 Ca 0.81 2.24 0.27 0.00 -0.94 0.00 0.00 52.86 55.24 2gsk s ASN 397 Cb -0.39 -2.58 0.84 0.00 -2.00 0.00 0.00 41.25 37.12 2gsk s ASN 397 CO 0.42 -2.02 1.79 -0.07 -2.94 0.00 0.00 177.10 174.27 2gsk h LEU 398 N -0.12 0.00 -0.59 3.54 3.38 -1.96 -1.71 115.31 117.85 2gsk h LEU 398 Ca -0.47 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2gsk h LEU 398 Cb 1.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2gsk h LEU 398 CO 0.51 0.08 0.30 1.23 0.09 0.00 0.00 178.44 180.65 2gsk h GLY 399 N 2.84 0.85 2.00 0.83 0.00 -1.91 0.20 103.07 107.88 2gsk h GLY 399 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2gsk h GLY 399 CO 0.01 0.11 -0.05 1.46 0.00 0.00 0.00 176.54 178.07 2gsk h GLN 400 N 0.57 0.00 0.01 4.80 4.20 -1.57 -2.17 115.11 120.95 2gsk h GLN 400 Ca 0.27 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.80 2gsk h GLN 400 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2gsk h GLN 400 CO -0.19 0.05 -0.97 -0.07 -0.67 0.00 0.00 178.83 176.98 2gsk h LEU 401 N 0.00 0.04 0.00 1.46 3.38 -1.41 0.04 115.31 118.82 2gsk h LEU 401 Ca -0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2gsk h LEU 401 Cb 0.53 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2gsk h LEU 401 CO 0.01 1.39 -0.20 -1.22 0.09 0.00 0.00 178.44 178.51 2gsk n TYR 402 N -4.41 0.00 -1.33 1.13 4.01 0.69 -2.35 117.16 114.90 2gsk n TYR 402 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2gsk n TYR 402 Cb 0.66 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 2gsk n TYR 402 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gsk n GLY 403 N 1.14 -0.43 0.41 2.72 0.00 -0.82 -4.74 105.19 103.47 2gsk n GLY 403 Ca 0.00 -1.77 0.21 0.00 0.00 0.00 0.00 46.02 44.46 2gsk n GLY 403 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2gsk h PHE 404 N -0.69 0.58 -0.69 1.61 3.57 -0.76 -1.29 116.94 119.27 2gsk h PHE 404 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2gsk h PHE 404 Cb 0.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2gsk h PHE 404 CO 0.00 0.12 0.00 0.66 -2.23 0.00 0.00 178.31 176.86 2gsk n TYR 405 N -4.54 1.26 -3.57 0.41 4.01 -1.26 -4.93 117.16 108.54 2gsk n TYR 405 Ca 0.22 -0.55 -0.23 0.00 -0.16 0.00 0.00 57.90 57.18 2gsk n TYR 405 Cb 0.77 -0.13 -0.01 0.00 -0.31 0.00 0.00 39.34 39.65 2gsk n TYR 405 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2gsk s GLY 406 N -0.94 1.31 -0.27 2.72 0.00 -0.49 -2.22 107.32 107.43 2gsk s GLY 406 Ca 0.50 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.19 2gsk s GLY 406 CO 0.29 -0.97 0.09 0.21 0.00 0.00 0.00 173.10 172.72 2gsk s ASN 407 N -3.99 3.52 0.21 1.64 2.47 -0.00 -4.80 114.94 113.99 2gsk s ASN 407 Ca 0.38 -1.28 0.20 0.00 0.42 0.00 0.00 52.86 52.58 2gsk s ASN 407 Cb -0.09 -0.62 0.89 0.00 -1.45 0.00 0.00 41.25 39.97 2gsk s ASN 407 CO 0.34 -0.39 1.61 -0.81 -3.72 0.00 0.00 177.10 174.13 2gsk n PRO 408 N 5.04 0.14 -0.85 0.43 -0.04 -0.99 -1.33 135.00 137.39 2gsk n PRO 408 Ca -0.05 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 63.91 2gsk n PRO 408 Cb 0.44 -1.80 0.38 0.00 -0.04 0.00 0.00 33.50 32.48 2gsk n PRO 408 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gsk n ASN 409 N -2.06 5.43 -4.73 3.54 4.13 -1.26 -4.97 115.26 115.34 2gsk n ASN 409 Ca 0.02 -2.88 -0.42 0.00 1.68 0.00 0.00 54.58 52.98 2gsk n ASN 409 Cb 0.17 -0.68 -0.03 0.00 -1.54 0.00 0.00 39.78 37.70 2gsk n ASN 409 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2gsk s LEU 410 N -2.58 4.36 0.33 3.41 1.43 -0.44 -5.01 118.68 120.17 2gsk s LEU 410 Ca 0.51 2.86 -0.14 0.00 -1.03 0.00 0.00 54.13 56.33 2gsk s LEU 410 Cb 0.39 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 2gsk s LEU 410 CO 0.15 -0.95 0.72 -1.81 0.23 0.00 0.00 176.35 174.69 2gsk s ASP 411 N 1.04 6.73 0.55 2.29 1.01 -1.26 -4.89 116.67 122.13 2gsk s ASP 411 Ca 0.72 1.23 -0.21 0.00 0.71 0.00 0.00 52.55 55.00 2gsk s ASP 411 Cb -0.49 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.04 2gsk s ASP 411 CO 0.35 -0.22 1.31 -2.16 0.21 0.00 0.00 175.17 174.66 2gsk s PRO 412 N -3.08 3.15 0.07 8.23 0.04 -1.26 -4.64 135.00 137.50 2gsk s PRO 412 Ca 0.53 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 2gsk s PRO 412 Cb -0.10 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2gsk s PRO 412 CO 0.20 -1.14 1.06 -1.21 0.04 0.00 0.00 177.00 175.94 2gsk s GLU 413 N -2.98 4.56 0.04 4.56 2.02 0.80 -4.72 118.70 122.98 2gsk s GLU 413 Ca 0.72 1.58 0.08 0.00 0.02 0.00 0.00 54.97 57.37 2gsk s GLU 413 Cb -0.37 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 2gsk s GLU 413 CO 0.43 -0.03 -0.23 0.15 0.02 0.00 0.00 175.26 175.60 2gsk s LYS 414 N 0.56 1.59 -0.07 1.61 1.02 -1.05 -0.26 119.74 123.15 2gsk s LYS 414 Ca 0.52 -0.99 0.01 0.00 0.02 0.00 0.00 55.97 55.54 2gsk s LYS 414 Cb -0.25 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 35.37 2gsk s LYS 414 CO 0.30 0.44 -0.08 0.45 -0.92 0.00 0.00 175.35 175.54 2gsk s SER 415 N -1.12 1.60 -0.04 2.83 0.15 -0.51 0.69 113.70 117.31 2gsk s SER 415 Ca 0.09 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.52 2gsk s SER 415 Cb -0.09 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.50 2gsk s SER 415 CO 0.02 -0.04 -0.06 -0.54 1.20 0.00 0.00 173.24 173.81 2gsk s LYS 416 N 1.06 2.68 -0.16 5.44 3.01 -0.53 -1.72 119.74 129.50 2gsk s LYS 416 Ca -0.08 -0.61 -0.09 0.00 -1.01 0.00 0.00 55.97 54.18 2gsk s LYS 416 Cb -0.14 -2.56 0.06 0.00 -1.01 0.00 0.00 37.83 34.17 2gsk s LYS 416 CO -0.01 0.64 0.39 -1.14 0.51 0.00 0.00 175.35 175.75 2gsk s GLN 417 N -1.06 0.38 0.11 1.68 0.74 -0.66 -0.52 119.66 120.32 2gsk s GLN 417 Ca 0.14 0.75 0.03 0.00 0.05 0.00 0.00 55.36 56.33 2gsk s GLN 417 Cb -0.11 -0.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 2gsk s GLN 417 CO 0.04 -0.15 -0.08 1.67 -0.55 0.00 0.00 175.29 176.22 2gsk s TRP 418 N 1.34 1.01 -0.14 1.67 -2.14 -0.32 -1.57 118.94 118.80 2gsk s TRP 418 Ca -0.09 -0.86 -0.15 0.00 2.66 0.00 0.00 56.10 57.66 2gsk s TRP 418 Cb -0.08 -0.56 0.04 0.00 -3.10 0.00 0.00 33.47 29.77 2gsk s TRP 418 CO -0.12 -0.07 0.41 -2.00 -2.66 0.00 0.00 176.95 172.51 2gsk s GLU 419 N -3.77 0.52 -0.07 3.25 2.12 -0.11 -1.05 118.70 119.60 2gsk s GLU 419 Ca 0.13 0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.95 2gsk s GLU 419 Cb 0.04 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.70 2gsk s GLU 419 CO -0.03 -0.08 -0.08 0.20 -0.54 0.00 0.00 175.26 174.73 2gsk s GLY 420 N 0.00 0.68 -0.00 -1.50 0.00 -0.50 -1.03 107.32 104.97 2gsk s GLY 420 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.41 2gsk s GLY 420 CO 0.01 0.39 -0.07 0.00 0.00 0.00 0.00 173.10 173.43 2gsk s ALA 421 N 0.99 0.59 -0.09 3.20 0.00 0.21 -1.43 121.76 125.24 2gsk s ALA 421 Ca -0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 2gsk s ALA 421 Cb -0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2gsk s ALA 421 CO 0.00 0.13 -0.06 -0.06 0.00 0.00 0.00 175.76 175.77 2gsk s PHE 422 N -0.27 2.97 0.10 0.00 0.08 -0.19 -1.11 117.98 119.56 2gsk s PHE 422 Ca 0.02 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.08 2gsk s PHE 422 Cb -0.03 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2gsk s PHE 422 CO -0.00 0.27 -0.12 -1.83 -0.10 0.00 0.00 175.22 173.44 2gsk s GLU 423 N -0.60 0.92 0.26 0.44 -1.05 -0.25 -1.19 118.70 117.23 2gsk s GLU 423 Ca 0.09 -1.17 -0.19 0.00 -0.15 0.00 0.00 54.97 53.55 2gsk s GLU 423 Cb -0.12 -0.72 0.02 0.00 -0.44 0.00 0.00 34.13 32.88 2gsk s GLU 423 CO 0.02 0.13 0.65 0.20 0.95 0.00 0.00 175.26 177.20 2gsk s GLY 424 N -2.37 -0.02 -0.14 -3.83 0.00 -0.38 -1.52 107.32 99.05 2gsk s GLY 424 Ca 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 44.43 2gsk s GLY 424 CO 0.02 -0.19 -0.07 -2.27 0.00 0.00 0.00 173.10 170.59 2gsk s LEU 425 N -2.92 1.48 -0.13 0.66 2.96 -1.23 -1.55 118.68 117.95 2gsk s LEU 425 Ca 0.12 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2gsk s LEU 425 Cb -0.04 -0.92 0.05 0.00 0.50 0.00 0.00 46.19 45.78 2gsk s LEU 425 CO 0.05 -0.15 0.04 -0.89 -1.32 0.00 0.00 176.35 174.09 2gsk s THR 426 N 1.64 0.23 -1.40 3.68 2.01 -0.44 -4.87 115.64 116.49 2gsk s THR 426 Ca 0.03 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2gsk s THR 426 Cb -0.14 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.74 2gsk s THR 426 CO -0.08 -0.05 0.64 0.00 -0.69 0.00 0.00 174.62 174.45 2gsk n ALA 427 N 5.17 -1.86 -0.90 7.40 0.00 -1.26 -1.06 120.51 128.00 2gsk n ALA 427 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2gsk n ALA 427 Cb 0.49 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2gsk n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gsk n GLY 428 N -1.73 0.90 3.35 0.00 0.00 -1.26 -5.01 105.19 101.43 2gsk n GLY 428 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2gsk n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsk s VAL 429 N -3.56 3.87 -0.39 1.61 1.01 -0.23 -4.41 120.40 118.31 2gsk s VAL 429 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 2gsk s VAL 429 Cb 0.00 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2gsk s VAL 429 CO 0.00 0.19 0.86 0.20 0.00 0.00 0.00 175.10 176.35 2gsk s ASN 430 N 1.51 6.57 0.14 3.32 0.01 0.23 -1.32 114.94 125.40 2gsk s ASN 430 Ca 0.04 0.34 0.08 0.00 -0.71 0.00 0.00 52.86 52.61 2gsk s ASN 430 Cb -0.16 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 2gsk s ASN 430 CO 0.01 -0.85 -0.17 -1.66 -1.51 0.00 0.00 177.10 172.92 2gsk s TRP 431 N 3.37 1.67 -0.05 2.20 1.48 -0.59 -0.79 118.94 126.23 2gsk s TRP 431 Ca 0.35 -0.48 -0.04 0.00 -1.06 0.00 0.00 56.10 54.86 2gsk s TRP 431 Cb -0.12 -0.86 0.01 0.00 -1.16 0.00 0.00 33.47 31.34 2gsk s TRP 431 CO 0.20 0.25 0.13 0.50 -4.06 0.00 0.00 176.95 173.96 2gsk s ARG 432 N -2.56 0.14 -0.04 3.25 3.52 -0.18 -1.25 118.95 121.83 2gsk s ARG 432 Ca 0.11 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.91 2gsk s ARG 432 Cb -0.06 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.40 2gsk s ARG 432 CO 0.05 -0.03 -0.02 0.42 -0.81 0.00 0.00 175.30 174.91 2gsk s ILE 433 N 0.15 0.36 0.06 4.11 1.01 -0.33 -0.92 121.20 125.63 2gsk s ILE 433 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2gsk s ILE 433 Cb -0.02 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 2gsk s ILE 433 CO -0.00 0.19 -0.06 -0.94 0.00 0.00 0.00 174.94 174.13 2gsk s SER 434 N 1.07 0.76 0.04 3.58 1.04 0.39 -1.03 113.70 119.56 2gsk s SER 434 Ca -0.09 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 55.68 2gsk s SER 434 Cb -0.14 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2gsk s SER 434 CO -0.01 -0.36 -0.24 -0.83 0.98 0.00 0.00 173.24 172.78 2gsk s GLY 435 N -2.20 1.46 0.03 7.32 0.00 -0.52 -0.36 107.32 113.05 2gsk s GLY 435 Ca -0.02 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 43.45 2gsk s GLY 435 CO -0.03 -1.13 -0.03 -2.52 0.00 0.00 0.00 173.10 169.39 2gsk s TYR 436 N -0.84 0.31 -0.00 1.90 1.13 -0.58 -1.41 117.35 117.85 2gsk s TYR 436 Ca 0.13 -0.62 0.02 0.00 -1.41 0.00 0.00 57.07 55.19 2gsk s TYR 436 Cb -0.10 -0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 40.53 2gsk s TYR 436 CO 0.03 -0.22 -0.07 0.50 -2.51 0.00 0.00 175.55 173.28 2gsk s ARG 437 N -1.87 0.54 -0.11 -3.49 3.52 -0.21 -1.32 118.95 116.02 2gsk s ARG 437 Ca -0.12 -0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 55.22 2gsk s ARG 437 Cb -0.07 -0.52 0.04 0.00 -1.56 0.00 0.00 34.95 32.83 2gsk s ARG 437 CO -0.02 0.14 0.00 1.21 -0.81 0.00 0.00 175.30 175.82 2gsk s ASN 438 N -0.18 1.96 -0.38 -2.12 3.84 -0.05 -1.17 114.94 116.84 2gsk s ASN 438 Ca 0.02 -0.28 -0.09 0.00 0.21 0.00 0.00 52.86 52.73 2gsk s ASN 438 Cb -0.03 -0.51 0.05 0.00 -0.55 0.00 0.00 41.25 40.22 2gsk s ASN 438 CO -0.00 -0.22 0.19 -1.81 -2.79 0.00 0.00 177.10 172.48 2gsk s ASP 439 N 1.92 5.55 -0.35 -4.21 1.01 0.32 -0.38 116.67 120.54 2gsk s ASP 439 Ca 0.04 -1.28 -0.11 0.00 0.71 0.00 0.00 52.55 51.91 2gsk s ASP 439 Cb -0.13 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.85 2gsk s ASP 439 CO -0.06 -0.43 0.19 -0.69 0.21 0.00 0.00 175.17 174.39 2gsk s VAL 440 N 1.44 4.66 0.27 -1.27 1.01 -0.57 -1.46 120.40 124.49 2gsk s VAL 440 Ca 0.01 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2gsk s VAL 440 Cb -0.21 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2gsk s VAL 440 CO 0.03 -0.11 0.68 -0.44 0.00 0.00 0.00 175.10 175.27 2gsk s SER 441 N 1.59 6.80 -1.31 3.32 0.01 0.22 -0.68 113.70 123.65 2gsk s SER 441 Ca 0.03 1.22 -0.04 0.00 1.31 0.00 0.00 55.95 58.47 2gsk s SER 441 Cb -0.18 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2gsk s SER 441 CO 0.07 -0.11 0.57 0.47 0.41 0.00 0.00 173.24 174.64 2gsk n ASP 442 N -0.04 -5.49 -4.61 2.44 8.00 0.25 -2.53 116.55 114.57 2gsk n ASP 442 Ca 0.01 -0.26 -0.57 0.00 0.71 0.00 0.00 54.79 54.68 2gsk n ASP 442 Cb 0.53 -4.31 -0.07 0.00 -0.02 0.00 0.00 41.12 37.25 2gsk n ASP 442 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2gsk n LEU 443 N -3.55 1.40 -4.69 0.64 7.94 0.48 -4.44 117.00 114.79 2gsk n LEU 443 Ca -0.09 1.13 -0.38 0.00 -1.11 0.00 0.00 56.01 55.56 2gsk n LEU 443 Cb 0.60 -1.09 -0.07 0.00 0.53 0.00 0.00 43.42 43.40 2gsk n LEU 443 CO 0.42 -1.08 0.16 -0.63 -1.11 0.00 0.00 177.39 175.15 2gsk s ILE 444 N 1.34 5.17 0.22 1.96 1.01 -1.26 0.12 121.20 129.75 2gsk s ILE 444 Ca 0.91 0.86 0.03 0.00 0.00 0.00 0.00 60.65 62.45 2gsk s ILE 444 Cb -1.11 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 37.52 2gsk s ILE 444 CO 0.57 0.26 0.01 -0.62 0.00 0.00 0.00 174.94 175.16 2gsk s ASP 445 N 0.91 1.55 -0.15 3.58 -1.08 -0.29 -4.94 116.67 116.25 2gsk s ASP 445 Ca 0.23 -1.23 -0.10 0.00 -0.52 0.00 0.00 52.55 50.94 2gsk s ASP 445 Cb -0.15 0.06 -0.05 0.00 -1.46 0.00 0.00 42.92 41.33 2gsk s ASP 445 CO 0.09 -0.56 0.18 -0.47 0.52 0.00 0.00 175.17 174.93 2gsk s TYR 446 N -3.54 3.51 -0.29 -5.34 5.04 -1.26 -1.09 117.35 114.38 2gsk s TYR 446 Ca 0.28 0.48 -0.09 0.00 -2.44 0.00 0.00 57.07 55.30 2gsk s TYR 446 Cb 0.06 -2.12 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 2gsk s TYR 446 CO 0.08 0.47 0.14 0.34 -1.34 0.00 0.00 175.55 175.24 2gsk s ASP 447 N -0.22 5.55 0.26 4.32 -1.08 -0.40 -4.96 116.67 120.13 2gsk s ASP 447 Ca 0.13 -0.35 -0.01 0.00 -0.52 0.00 0.00 52.55 51.80 2gsk s ASP 447 Cb -0.12 -2.01 0.35 0.00 -1.46 0.00 0.00 42.92 39.68 2gsk s ASP 447 CO 0.02 -0.13 1.73 0.44 0.52 0.00 0.00 175.17 177.75 2gsk h ASP 448 N 8.33 0.65 0.47 -0.34 3.32 -1.97 0.74 116.42 127.62 2gsk h ASP 448 Ca -0.34 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 2gsk h ASP 448 Cb 1.16 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2gsk h ASP 448 CO 0.60 0.81 -0.22 0.45 -1.72 0.00 0.00 179.24 179.15 2gsk h HIS 449 N 0.60 -0.58 -0.00 4.55 3.86 -1.96 -3.34 115.15 118.28 2gsk h HIS 449 Ca 0.10 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2gsk h HIS 449 Cb 0.58 0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2gsk h HIS 449 CO 0.03 -0.36 -0.14 0.25 0.86 0.00 0.00 177.93 178.56 2gsk n THR 450 N -3.92 0.00 -3.75 2.45 -2.24 -1.24 -4.97 114.28 100.62 2gsk n THR 450 Ca -0.08 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.39 2gsk n THR 450 Cb 0.25 -0.03 0.04 0.00 -2.10 0.00 0.00 70.33 68.49 2gsk n THR 450 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gsk n LEU 451 N -0.95 -3.00 -3.95 3.22 4.77 0.25 -5.01 117.00 112.32 2gsk n LEU 451 Ca 0.14 -0.77 -0.09 0.00 -0.03 0.00 0.00 56.01 55.26 2gsk n LEU 451 Cb 0.29 -2.69 -0.10 0.00 -2.33 0.00 0.00 43.42 38.59 2gsk n LEU 451 CO 0.24 0.45 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.97 2gsk s LYS 452 N -6.20 0.53 0.24 3.23 1.02 -1.18 -4.48 119.74 112.90 2gsk s LYS 452 Ca 0.29 -0.73 -0.23 0.00 0.02 0.00 0.00 55.97 55.33 2gsk s LYS 452 Cb -0.14 0.20 -0.09 0.00 -0.52 0.00 0.00 37.83 37.28 2gsk s LYS 452 CO 0.81 -0.12 0.80 0.71 -0.92 0.00 0.00 175.35 176.62 2gsk s TYR 453 N -2.37 3.72 0.09 3.18 2.02 -0.94 -1.28 117.35 121.77 2gsk s TYR 453 Ca -0.07 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.14 2gsk s TYR 453 Cb -0.03 -2.74 -0.02 0.00 -0.40 0.00 0.00 41.96 38.77 2gsk s TYR 453 CO -0.04 0.35 0.09 0.71 -1.57 0.00 0.00 175.55 175.09 2gsk s TYR 454 N -1.46 0.47 -0.03 2.71 2.02 -0.25 -4.44 117.35 116.37 2gsk s TYR 454 Ca 0.43 -0.92 -0.25 0.00 -0.37 0.00 0.00 57.07 55.96 2gsk s TYR 454 Cb -0.19 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2gsk s TYR 454 CO 0.23 -0.50 0.77 -0.80 -1.57 0.00 0.00 175.55 173.68 2gsk s ASN 455 N -2.93 7.11 -0.14 2.29 -0.87 -1.26 -1.14 114.94 117.99 2gsk s ASN 455 Ca 0.11 1.33 0.18 0.00 -1.57 0.00 0.00 52.86 52.91 2gsk s ASN 455 Cb 0.06 -2.46 0.31 0.00 -0.02 0.00 0.00 41.25 39.15 2gsk s ASN 455 CO -0.07 -0.12 1.17 -0.62 -2.57 0.00 0.00 177.10 174.89 2gsk n GLU 456 N 3.63 1.36 0.00 -0.60 -0.58 0.32 -4.94 120.64 119.83 2gsk n GLU 456 Ca 0.00 -2.69 0.00 0.00 -0.42 0.00 0.00 57.16 54.05 2gsk n GLU 456 Cb 0.51 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 2gsk n GLU 456 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gsk n GLY 457 N -1.37 0.93 3.22 0.62 0.00 -1.26 -4.87 105.19 102.45 2gsk n GLY 457 Ca 0.17 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 2gsk n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gsk s LYS 458 N 0.00 1.04 -0.01 1.61 1.02 -1.26 -0.38 119.74 121.75 2gsk s LYS 458 Ca 0.00 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.06 2gsk s LYS 458 Cb 0.00 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2gsk s LYS 458 CO 0.00 0.27 -0.12 0.00 -0.92 0.00 0.00 175.35 174.58 2gsk s ALA 459 N -1.06 2.78 -0.14 5.17 0.00 0.15 -1.35 121.76 127.31 2gsk s ALA 459 Ca 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2gsk s ALA 459 Cb -0.09 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2gsk s ALA 459 CO 0.03 0.58 -0.15 0.50 0.00 0.00 0.00 175.76 176.72 2gsk s ARG 460 N -1.10 2.28 -0.16 0.00 6.06 0.59 -1.51 118.95 125.11 2gsk s ARG 460 Ca 0.14 -0.56 0.00 0.00 -2.50 0.00 0.00 55.73 52.81 2gsk s ARG 460 Cb -0.11 -2.05 0.00 0.00 0.06 0.00 0.00 34.95 32.86 2gsk s ARG 460 CO 0.04 -0.19 -0.16 0.42 -2.50 0.00 0.00 175.30 172.91 2gsk s ILE 461 N 1.34 2.57 0.02 4.11 1.01 0.49 -1.46 121.20 129.28 2gsk s ILE 461 Ca 0.02 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 59.96 2gsk s ILE 461 Cb -0.13 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2gsk s ILE 461 CO -0.08 0.52 -0.26 -0.54 0.00 0.00 0.00 174.94 174.57 2gsk s LYS 462 N 0.91 1.92 0.22 2.79 1.02 -0.81 -0.87 119.74 124.91 2gsk s LYS 462 Ca -0.04 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 54.79 2gsk s LYS 462 Cb -0.15 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2gsk s LYS 462 CO -0.02 0.53 0.45 0.20 -0.92 0.00 0.00 175.35 175.59 2gsk s GLY 463 N -0.98 0.40 -0.05 -3.33 0.00 -0.43 -1.01 107.32 101.91 2gsk s GLY 463 Ca 0.11 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.10 2gsk s GLY 463 CO 0.01 -0.60 -0.10 0.14 0.00 0.00 0.00 173.10 172.55 2gsk s VAL 464 N -3.98 0.92 -0.13 1.40 1.01 -0.48 -1.52 120.40 117.62 2gsk s VAL 464 Ca 0.19 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2gsk s VAL 464 Cb 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.53 2gsk s VAL 464 CO 0.05 0.30 -0.21 -0.70 0.00 0.00 0.00 175.10 174.54 2gsk s GLU 465 N 0.66 2.86 -0.06 2.72 2.12 0.51 -2.20 118.70 125.31 2gsk s GLU 465 Ca -0.12 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 54.44 2gsk s GLU 465 Cb -0.15 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.94 2gsk s GLU 465 CO 0.02 0.00 -0.16 0.00 -0.54 0.00 0.00 175.26 174.58 2gsk s ALA 466 N 0.79 1.52 0.08 6.30 0.00 0.01 -0.46 121.76 129.99 2gsk s ALA 466 Ca -0.08 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2gsk s ALA 466 Cb -0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 2gsk s ALA 466 CO -0.01 0.21 -0.11 0.99 0.00 0.00 0.00 175.76 176.84 2gsk s THR 467 N 0.36 0.94 -0.16 0.00 2.01 -0.09 -0.17 115.64 118.53 2gsk s THR 467 Ca -0.11 -1.42 -0.09 0.00 0.31 0.00 0.00 61.69 60.38 2gsk s THR 467 Cb -0.14 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.30 2gsk s THR 467 CO 0.04 -0.40 0.38 0.00 -0.69 0.00 0.00 174.62 173.95 2gsk s ALA 468 N -1.81 -0.95 0.05 7.40 0.00 -0.52 -1.01 121.76 124.92 2gsk s ALA 468 Ca 0.00 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.40 2gsk s ALA 468 Cb -0.07 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 2gsk s ALA 468 CO 0.01 -0.24 -0.15 0.54 0.00 0.00 0.00 175.76 175.92 2gsk s ASN 469 N 1.24 1.76 -0.01 0.00 2.20 0.03 -0.99 114.94 119.16 2gsk s ASN 469 Ca -0.08 -0.52 -0.29 0.00 -0.94 0.00 0.00 52.86 51.03 2gsk s ASN 469 Cb -0.08 -0.10 0.10 0.00 -2.00 0.00 0.00 41.25 39.17 2gsk s ASN 469 CO -0.11 0.01 0.88 0.72 -2.94 0.00 0.00 177.10 175.66 2gsk s PHE 470 N -0.98 -0.36 -0.06 1.54 -0.71 -0.86 -0.60 117.98 115.95 2gsk s PHE 470 Ca 0.01 0.25 0.04 0.00 -1.04 0.00 0.00 56.93 56.20 2gsk s PHE 470 Cb -0.09 0.53 -0.00 0.00 -1.21 0.00 0.00 43.02 42.25 2gsk s PHE 470 CO 0.02 -0.55 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.64 2gsk s ASP 471 N -2.40 2.48 -0.58 1.98 1.01 -1.26 -0.68 116.67 117.22 2gsk s ASP 471 Ca 0.04 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.91 2gsk s ASP 471 Cb -0.01 -0.83 0.14 0.00 1.01 0.00 0.00 42.92 43.24 2gsk s ASP 471 CO -0.08 0.16 0.35 0.42 0.21 0.00 0.00 175.17 176.22 2gsk s THR 472 N 0.13 2.95 0.00 -1.27 -4.23 -0.24 -5.00 115.64 107.97 2gsk s THR 472 Ca -0.08 -3.37 0.00 0.00 -1.18 0.00 0.00 61.69 57.06 2gsk s THR 472 Cb -0.14 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2gsk s THR 472 CO 0.04 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 2gsk n GLY 473 N 3.03 2.61 0.14 3.99 0.00 -1.26 -1.89 105.19 111.81 2gsk n GLY 473 Ca 0.08 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.93 2gsk n GLY 473 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gsk n PRO 474 N 13.22 0.16 -3.63 1.61 -0.04 -1.26 -4.80 135.00 140.26 2gsk n PRO 474 Ca 0.00 0.51 -0.37 0.00 -0.04 0.00 0.00 63.50 63.60 2gsk n PRO 474 Cb 0.00 -1.89 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 2gsk n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2gsk s LEU 475 N -4.42 4.35 -0.18 1.53 1.43 -0.79 -4.37 118.68 116.23 2gsk s LEU 475 Ca 0.01 0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 53.69 2gsk s LEU 475 Cb 0.08 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2gsk s LEU 475 CO 0.30 0.25 -0.02 -0.89 0.23 0.00 0.00 176.35 176.22 2gsk s THR 476 N -0.40 3.91 -0.13 5.49 2.01 0.14 -1.08 115.64 125.57 2gsk s THR 476 Ca 0.18 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2gsk s THR 476 Cb -0.14 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 2gsk s THR 476 CO 0.06 0.46 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.34 2gsk s HIS 477 N 0.70 2.85 -0.22 4.92 0.09 0.15 -1.84 115.29 121.94 2gsk s HIS 477 Ca -0.01 -0.55 0.00 0.00 -0.00 0.00 0.00 55.06 54.50 2gsk s HIS 477 Cb -0.14 -1.85 0.05 0.00 -0.00 0.00 0.00 32.58 30.64 2gsk s HIS 477 CO 0.02 -0.15 -0.06 0.99 -0.00 0.00 0.00 174.74 175.54 2gsk s THR 478 N 0.28 1.45 -0.02 1.30 2.01 -0.30 -2.02 115.64 118.34 2gsk s THR 478 Ca -0.08 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 60.91 2gsk s THR 478 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 2gsk s THR 478 CO 0.05 -0.01 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.10 2gsk s VAL 479 N 1.45 1.38 0.07 3.82 1.01 -0.16 -0.57 120.40 127.40 2gsk s VAL 479 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2gsk s VAL 479 Cb -0.18 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2gsk s VAL 479 CO -0.07 0.39 -0.10 -0.94 0.00 0.00 0.00 175.10 174.39 2gsk s SER 480 N -0.37 1.26 -0.04 3.32 1.04 -0.15 -1.44 113.70 117.32 2gsk s SER 480 Ca 0.06 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2gsk s SER 480 Cb -0.07 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2gsk s SER 480 CO -0.00 -0.23 -0.07 -0.47 0.98 0.00 0.00 173.24 173.44 2gsk s TYR 481 N -2.03 0.93 -0.02 5.02 5.04 0.76 -1.79 117.35 125.26 2gsk s TYR 481 Ca -0.00 -0.27 0.05 0.00 -2.44 0.00 0.00 57.07 54.41 2gsk s TYR 481 Cb -0.06 -0.73 -0.01 0.00 0.35 0.00 0.00 41.96 41.52 2gsk s TYR 481 CO -0.00 -0.17 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.36 2gsk s ASP 482 N 0.59 2.06 -0.08 4.32 1.01 -0.47 -0.81 116.67 123.29 2gsk s ASP 482 Ca -0.09 -0.32 0.03 0.00 0.71 0.00 0.00 52.55 52.88 2gsk s ASP 482 Cb -0.12 -0.33 0.00 0.00 1.01 0.00 0.00 42.92 43.48 2gsk s ASP 482 CO 0.01 0.19 -0.19 -0.47 0.21 0.00 0.00 175.17 174.92 2gsk s TYR 483 N -0.27 2.11 -0.05 4.23 5.04 -0.94 -1.22 117.35 126.26 2gsk s TYR 483 Ca 0.04 -0.82 0.01 0.00 -2.44 0.00 0.00 57.07 53.85 2gsk s TYR 483 Cb -0.08 -1.45 0.02 0.00 0.35 0.00 0.00 41.96 40.81 2gsk s TYR 483 CO 0.00 -0.35 -0.04 0.14 -1.34 0.00 0.00 175.55 173.97 2gsk s VAL 484 N 0.41 0.49 -0.55 3.14 -7.23 0.82 -1.38 120.40 116.11 2gsk s VAL 484 Ca -0.16 -0.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.88 2gsk s VAL 484 Cb -0.17 -0.54 0.14 0.00 0.56 0.00 0.00 36.38 36.38 2gsk s VAL 484 CO 0.07 0.22 0.38 -0.62 -0.31 0.00 0.00 175.10 174.84 2gsk s ASP 485 N 1.05 5.44 -0.34 4.85 2.15 -0.18 -4.40 116.67 125.23 2gsk s ASP 485 Ca -0.09 -2.44 -0.08 0.00 0.43 0.00 0.00 52.55 50.37 2gsk s ASP 485 Cb -0.14 -1.90 0.03 0.00 -0.30 0.00 0.00 42.92 40.61 2gsk s ASP 485 CO -0.01 -0.49 0.12 0.00 -0.17 0.00 0.00 175.17 174.63 2gsk s ALA 486 N 0.55 3.10 0.08 3.66 0.00 -1.26 -1.93 121.76 125.97 2gsk s ALA 486 Ca 0.13 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.44 2gsk s ALA 486 Cb -0.21 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2gsk s ALA 486 CO -0.04 -1.29 -0.14 1.03 0.00 0.00 0.00 175.76 175.33 2gsk s ARG 487 N 1.45 0.88 -0.14 0.00 0.52 -0.54 -1.19 118.95 119.93 2gsk s ARG 487 Ca -0.00 -1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 53.88 2gsk s ARG 487 Cb -0.19 -0.85 -0.02 0.00 0.52 0.00 0.00 34.95 34.42 2gsk s ARG 487 CO 0.04 0.18 1.26 1.21 0.02 0.00 0.00 175.30 178.00 2gsk s ASN 488 N -1.94 6.96 0.47 0.23 3.84 -0.43 -0.30 114.94 123.76 2gsk s ASN 488 Ca 0.01 1.73 0.26 0.00 0.21 0.00 0.00 52.86 55.07 2gsk s ASN 488 Cb -0.08 -2.54 0.80 0.00 -0.55 0.00 0.00 41.25 38.87 2gsk s ASN 488 CO 0.02 -0.73 1.77 0.00 -2.79 0.00 0.00 177.10 175.38 2gsk h ALA 489 N 8.06 0.97 0.18 1.71 0.00 -1.54 0.24 119.26 128.88 2gsk h ALA 489 Ca -0.28 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 2gsk h ALA 489 Cb 1.12 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.92 2gsk h ALA 489 CO 0.95 0.11 -1.35 0.82 0.00 0.00 0.00 179.25 179.78 2gsk h ILE 490 N 0.00 1.30 -0.01 0.00 1.08 -1.90 -3.33 117.51 114.64 2gsk h ILE 490 Ca -0.00 -2.62 0.00 0.00 -0.39 0.00 0.00 64.86 61.85 2gsk h ILE 490 Cb 0.81 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 37.43 2gsk h ILE 490 CO 0.01 0.79 -0.13 0.35 -0.69 0.00 0.00 178.15 178.48 2gsk n THR 491 N -3.73 0.00 -2.11 -0.27 -2.24 -1.17 -4.95 114.28 99.81 2gsk n THR 491 Ca -0.15 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 2gsk n THR 491 Cb 1.04 1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 70.49 2gsk n THR 491 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2gsk n ASP 492 N 0.35 -3.44 -4.75 3.42 2.03 0.83 -4.94 116.55 110.04 2gsk n ASP 492 Ca 0.07 0.24 -0.37 0.00 0.52 0.00 0.00 54.79 55.25 2gsk n ASP 492 Cb 0.33 -3.03 -0.07 0.00 -0.72 0.00 0.00 41.12 37.63 2gsk n ASP 492 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2gsk s THR 493 N -2.38 5.28 0.42 5.18 -4.23 -1.15 -4.82 115.64 113.95 2gsk s THR 493 Ca 0.00 0.57 -0.26 0.00 -1.18 0.00 0.00 61.69 60.82 2gsk s THR 493 Cb 0.00 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.11 2gsk s THR 493 CO 0.00 0.43 1.35 -2.65 -0.54 0.00 0.00 174.62 173.21 2gsk n PRO 494 N 3.21 2.13 -2.52 3.99 -0.02 -1.26 -1.31 135.00 139.21 2gsk n PRO 494 Ca -0.13 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2gsk n PRO 494 Cb 0.52 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 2gsk n PRO 494 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2gsk s LEU 495 N -1.95 4.35 0.57 2.45 1.43 -0.33 -4.82 118.68 120.38 2gsk s LEU 495 Ca 0.60 2.14 -0.16 0.00 -1.03 0.00 0.00 54.13 55.68 2gsk s LEU 495 Cb -0.49 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 2gsk s LEU 495 CO 0.59 -0.30 1.04 -0.76 0.23 0.00 0.00 176.35 177.15 2gsk s LEU 496 N -2.03 3.54 -0.52 1.79 1.43 -1.26 -4.05 118.68 117.58 2gsk s LEU 496 Ca 0.51 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2gsk s LEU 496 Cb -0.27 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.42 2gsk s LEU 496 CO 0.34 -1.04 0.00 0.54 0.23 0.00 0.00 176.35 176.42 2gsk n ARG 497 N -1.89 -1.82 -3.55 1.70 1.74 0.31 -4.97 116.66 108.18 2gsk n ARG 497 Ca 0.08 0.66 -0.38 0.00 -0.77 0.00 0.00 57.85 57.45 2gsk n ARG 497 Cb 0.53 -5.10 -0.10 0.00 -1.02 0.00 0.00 32.46 26.77 2gsk n ARG 497 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gsk s ARG 498 N -2.38 4.02 0.17 5.56 0.52 -1.26 -4.89 118.95 120.69 2gsk s ARG 498 Ca 0.00 -0.18 -0.31 0.00 -0.52 0.00 0.00 55.73 54.72 2gsk s ARG 498 Cb 0.00 -3.62 -0.09 0.00 0.52 0.00 0.00 34.95 31.76 2gsk s ARG 498 CO 0.00 -0.13 1.48 0.00 0.02 0.00 0.00 175.30 176.67 2gsk s ALA 499 N 1.60 3.68 0.35 2.13 0.00 -1.26 -4.52 121.76 123.74 2gsk s ALA 499 Ca 0.10 1.28 0.09 0.00 0.00 0.00 0.00 51.96 53.42 2gsk s ALA 499 Cb -0.15 -3.58 0.64 0.00 0.00 0.00 0.00 23.12 20.03 2gsk s ALA 499 CO 0.09 -0.71 1.82 -0.22 0.00 0.00 0.00 175.76 176.73 2gsk h LYS 500 N 6.37 0.22 -3.61 0.00 3.64 -1.29 -3.41 116.57 118.49 2gsk h LYS 500 Ca -0.43 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 58.68 2gsk h LYS 500 Cb 1.21 -0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.76 2gsk h LYS 500 CO 0.87 0.47 -0.62 -0.65 -2.27 0.00 0.00 179.45 177.24 2gsk s GLN 501 N -4.44 0.17 0.01 1.90 -0.21 -1.26 -0.12 119.66 115.71 2gsk s GLN 501 Ca -0.05 -0.07 -0.01 0.00 0.02 0.00 0.00 55.36 55.26 2gsk s GLN 501 Cb 0.14 0.07 -0.01 0.00 1.00 0.00 0.00 33.01 34.21 2gsk s GLN 501 CO 0.75 -0.03 -0.01 -0.65 -2.12 0.00 0.00 175.29 173.23 2gsk s GLN 502 N -0.37 0.24 -0.06 2.91 -0.21 -0.36 -0.09 119.66 121.71 2gsk s GLN 502 Ca -0.04 -0.41 0.04 0.00 0.02 0.00 0.00 55.36 54.96 2gsk s GLN 502 Cb -0.03 0.09 0.00 0.00 1.00 0.00 0.00 33.01 34.07 2gsk s GLN 502 CO 0.00 -0.04 -0.18 0.08 -2.12 0.00 0.00 175.29 173.03 2gsk s VAL 503 N -1.03 1.58 -0.05 1.09 1.01 -0.54 -1.37 120.40 121.09 2gsk s VAL 503 Ca -0.11 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2gsk s VAL 503 Cb -0.07 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2gsk s VAL 503 CO -0.01 0.45 -0.09 -0.54 0.00 0.00 0.00 175.10 174.91 2gsk s LYS 504 N 0.23 1.26 -0.14 2.72 1.02 -0.74 -0.80 119.74 123.29 2gsk s LYS 504 Ca -0.10 -0.31 -0.04 0.00 0.02 0.00 0.00 55.97 55.55 2gsk s LYS 504 Cb -0.14 -1.11 0.06 0.00 -0.52 0.00 0.00 37.83 36.12 2gsk s LYS 504 CO 0.04 0.03 0.17 -0.47 -0.92 0.00 0.00 175.35 174.21 2gsk s TYR 505 N 0.56 -0.16 -0.14 3.18 6.04 -0.60 -0.98 117.35 125.25 2gsk s TYR 505 Ca -0.10 0.36 -0.05 0.00 0.04 0.00 0.00 57.07 57.32 2gsk s TYR 505 Cb -0.13 -0.35 -0.03 0.00 -1.04 0.00 0.00 41.96 40.40 2gsk s TYR 505 CO 0.02 -0.41 0.02 -1.14 -1.54 0.00 0.00 175.55 172.49 2gsk s GLN 506 N 2.28 3.56 -0.16 4.97 2.00 0.26 -0.74 119.66 131.84 2gsk s GLN 506 Ca 0.04 -0.40 -0.00 0.00 -2.00 0.00 0.00 55.36 53.00 2gsk s GLN 506 Cb -0.14 -3.00 0.04 0.00 0.80 0.00 0.00 33.01 30.71 2gsk s GLN 506 CO -0.08 0.43 -0.07 -1.17 -0.50 0.00 0.00 175.29 173.90 2gsk s LEU 507 N -0.10 1.61 -0.01 3.68 2.96 -0.47 -1.15 118.68 125.20 2gsk s LEU 507 Ca 0.05 -0.62 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2gsk s LEU 507 Cb -0.12 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 2gsk s LEU 507 CO 0.02 -0.16 -0.25 -1.81 -1.32 0.00 0.00 176.35 172.83 2gsk s ASP 508 N 1.62 3.18 0.08 3.68 1.01 -0.76 -0.41 116.67 125.06 2gsk s ASP 508 Ca 0.01 -0.47 -0.26 0.00 0.71 0.00 0.00 52.55 52.55 2gsk s ASP 508 Cb -0.15 -0.38 0.08 0.00 1.01 0.00 0.00 42.92 43.48 2gsk s ASP 508 CO -0.08 0.31 0.78 -1.66 0.21 0.00 0.00 175.17 174.73 2gsk s TRP 509 N -0.67 -0.39 0.06 4.23 -2.14 -0.84 -0.69 118.94 118.50 2gsk s TRP 509 Ca 0.11 0.20 0.07 0.00 2.66 0.00 0.00 56.10 59.14 2gsk s TRP 509 Cb -0.10 0.56 -0.03 0.00 -3.10 0.00 0.00 33.47 30.80 2gsk s TRP 509 CO -0.00 -0.71 -0.20 -0.65 -2.66 0.00 0.00 176.95 172.73 2gsk s GLN 510 N -3.39 1.25 -0.20 3.25 1.11 -1.26 -0.09 119.66 120.32 2gsk s GLN 510 Ca 0.04 -1.01 -0.08 0.00 0.01 0.00 0.00 55.36 54.32 2gsk s GLN 510 Cb -0.01 -1.41 0.08 0.00 -1.01 0.00 0.00 33.01 30.66 2gsk s GLN 510 CO -0.09 0.35 0.44 -1.17 0.01 0.00 0.00 175.29 174.83 2gsk s LEU 511 N -1.45 -0.51 -1.39 2.90 2.96 -0.77 -4.93 118.68 115.50 2gsk s LEU 511 Ca 0.06 1.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.90 2gsk s LEU 511 Cb -0.09 1.46 0.02 0.00 0.50 0.00 0.00 46.19 48.07 2gsk s LEU 511 CO 0.03 -0.22 1.14 -1.22 -1.32 0.00 0.00 176.35 174.76 2gsk n TYR 512 N 4.96 -2.79 -0.81 5.38 4.01 -1.26 -2.13 117.16 124.52 2gsk n TYR 512 Ca -0.14 0.98 0.00 0.00 -0.16 0.00 0.00 57.90 58.58 2gsk n TYR 512 Cb 0.52 -4.91 0.00 0.00 -0.31 0.00 0.00 39.34 34.64 2gsk n TYR 512 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2gsk n ASP 513 N -2.98 -2.47 -4.71 7.72 8.00 -1.26 -5.01 116.55 115.85 2gsk n ASP 513 Ca 0.01 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 2gsk n ASP 513 Cb 0.56 -2.20 -0.04 0.00 -0.02 0.00 0.00 41.12 39.42 2gsk n ASP 513 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2gsk s PHE 514 N -1.58 3.56 -0.29 1.24 0.08 -0.90 -4.30 117.98 115.78 2gsk s PHE 514 Ca 0.00 1.33 -0.08 0.00 0.12 0.00 0.00 56.93 58.29 2gsk s PHE 514 Cb 0.00 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 2gsk s PHE 514 CO 0.00 0.01 0.12 0.34 -0.10 0.00 0.00 175.22 175.59 2gsk s ASP 515 N 0.91 5.37 0.12 1.36 2.15 -0.47 -1.85 116.67 124.25 2gsk s ASP 515 Ca 0.40 -0.47 0.06 0.00 0.43 0.00 0.00 52.55 52.97 2gsk s ASP 515 Cb -0.18 -1.96 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2gsk s ASP 515 CO 0.19 -0.15 -0.02 0.26 -0.17 0.00 0.00 175.17 175.27 2gsk s TRP 516 N 1.59 2.89 -0.03 -5.34 0.52 0.87 -1.50 118.94 117.94 2gsk s TRP 516 Ca 0.05 -0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.07 2gsk s TRP 516 Cb -0.17 -1.47 0.03 0.00 -1.15 0.00 0.00 33.47 30.71 2gsk s TRP 516 CO 0.05 0.48 0.05 0.20 0.02 0.00 0.00 176.95 177.75 2gsk s GLY 517 N -2.47 0.06 -0.14 0.98 0.00 0.10 -1.99 107.32 103.86 2gsk s GLY 517 Ca 0.25 0.35 -0.03 0.00 0.00 0.00 0.00 44.72 45.30 2gsk s GLY 517 CO 0.17 0.68 -0.05 -0.42 0.00 0.00 0.00 173.10 173.48 2gsk s ILE 518 N 0.96 3.78 -0.21 0.90 1.01 0.45 -1.21 121.20 126.88 2gsk s ILE 518 Ca -0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 2gsk s ILE 518 Cb -0.11 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2gsk s ILE 518 CO -0.03 0.52 -0.09 -0.89 0.00 0.00 0.00 174.94 174.44 2gsk s THR 519 N 0.15 2.94 -0.09 2.92 2.01 -0.70 -1.37 115.64 121.51 2gsk s THR 519 Ca -0.02 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 2gsk s THR 519 Cb -0.14 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2gsk s THR 519 CO 0.03 0.45 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.94 2gsk s TYR 520 N 1.42 3.13 -0.05 4.92 5.04 0.08 -1.69 117.35 130.20 2gsk s TYR 520 Ca 0.05 0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 2gsk s TYR 520 Cb -0.14 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.39 2gsk s TYR 520 CO -0.06 0.42 -0.06 -1.14 -1.34 0.00 0.00 175.55 173.36 2gsk s GLN 521 N -0.76 1.02 -0.26 4.97 0.74 0.34 -1.56 119.66 124.14 2gsk s GLN 521 Ca 0.12 -0.18 -0.09 0.00 0.05 0.00 0.00 55.36 55.25 2gsk s GLN 521 Cb -0.11 -0.95 -0.04 0.00 1.10 0.00 0.00 33.01 33.00 2gsk s GLN 521 CO 0.02 -0.04 0.13 -0.47 -0.55 0.00 0.00 175.29 174.37 2gsk s TYR 522 N 0.80 3.15 -0.31 1.67 5.04 0.02 -0.83 117.35 126.88 2gsk s TYR 522 Ca -0.12 -0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.24 2gsk s TYR 522 Cb -0.14 -2.30 -0.00 0.00 0.35 0.00 0.00 41.96 39.86 2gsk s TYR 522 CO 0.01 -0.27 0.15 -0.51 -1.34 0.00 0.00 175.55 173.59 2gsk s LEU 523 N 1.68 4.13 0.00 6.97 1.43 0.23 -1.47 118.68 131.66 2gsk s LEU 523 Ca 0.07 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2gsk s LEU 523 Cb -0.15 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2gsk s LEU 523 CO 0.07 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2gsk n GLY 524 N 4.97 -1.57 3.73 -3.19 0.00 0.86 -1.01 105.19 108.99 2gsk n GLY 524 Ca -0.14 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2gsk n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gsk s THR 525 N -0.69 2.52 -0.01 2.61 2.01 -1.26 -4.39 115.64 116.44 2gsk s THR 525 Ca 0.00 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 2gsk s THR 525 Cb 0.00 -3.26 -0.00 0.00 0.01 0.00 0.00 72.50 69.25 2gsk s THR 525 CO 0.00 0.05 0.02 -0.60 -0.69 0.00 0.00 174.62 173.40 2gsk s ARG 526 N 0.23 0.07 0.03 4.92 3.52 -0.91 -1.03 118.95 125.78 2gsk s ARG 526 Ca 0.65 -0.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 2gsk s ARG 526 Cb -0.44 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.94 2gsk s ARG 526 CO 0.39 -0.01 0.10 0.71 -0.81 0.00 0.00 175.30 175.68 2gsk s TYR 527 N -0.18 3.29 0.20 5.12 2.02 -1.26 0.22 117.35 126.75 2gsk s TYR 527 Ca -0.02 0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.74 2gsk s TYR 527 Cb -0.01 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 2gsk s TYR 527 CO -0.00 0.55 0.40 0.34 -1.57 0.00 0.00 175.55 175.26 2gsk s ASP 528 N -2.01 -0.07 -0.18 2.29 2.15 -0.50 0.11 116.67 118.46 2gsk s ASP 528 Ca 0.26 -0.81 -0.09 0.00 0.43 0.00 0.00 52.55 52.33 2gsk s ASP 528 Cb -0.12 0.51 -0.05 0.00 -0.30 0.00 0.00 42.92 42.96 2gsk s ASP 528 CO 0.18 -1.01 0.14 -0.75 -0.17 0.00 0.00 175.17 173.56 2gsk s LYS 529 N -3.97 4.02 -0.42 4.34 2.20 -1.26 0.09 119.74 124.74 2gsk s LYS 529 Ca 0.18 -0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 55.39 2gsk s LYS 529 Cb 0.01 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 2gsk s LYS 529 CO 0.02 0.41 0.66 0.34 -0.36 0.00 0.00 175.35 176.43 2gsk s ASP 530 N 0.03 6.36 0.00 1.43 -1.08 0.56 -4.82 116.67 119.16 2gsk s ASP 530 Ca 0.10 -0.17 0.29 0.00 -0.52 0.00 0.00 52.55 52.24 2gsk s ASP 530 Cb -0.11 -2.33 1.24 0.00 -1.46 0.00 0.00 42.92 40.25 2gsk s ASP 530 CO -0.00 -0.75 1.86 -1.22 0.52 0.00 0.00 175.17 175.58 2gsk n TYR 531 N 6.27 0.00 0.28 -5.34 4.01 -1.26 -3.65 117.16 117.48 2gsk n TYR 531 Ca -0.01 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.91 2gsk n TYR 531 Cb 0.48 -0.13 0.75 0.00 -0.31 0.00 0.00 39.34 40.13 2gsk n TYR 531 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2gsk h SER 532 N 0.79 0.00 -3.91 7.72 4.64 -1.86 -3.44 113.55 117.49 2gsk h SER 532 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2gsk h SER 532 Cb 0.35 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.20 2gsk h SER 532 CO 0.00 0.01 -0.20 -0.94 -0.87 0.00 0.00 176.83 174.83 2gsk s SER 533 N -5.65 -0.45 0.01 4.97 1.04 -1.26 -5.00 113.70 107.36 2gsk s SER 533 Ca 0.00 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.15 2gsk s SER 533 Cb 0.10 0.89 -0.06 0.00 0.10 0.00 0.00 66.02 67.05 2gsk s SER 533 CO 0.53 -0.16 0.43 -0.47 0.98 0.00 0.00 173.24 174.56 2gsk s TYR 534 N 0.21 3.74 0.52 5.02 5.04 -1.26 -3.68 117.35 126.94 2gsk s TYR 534 Ca -0.00 1.04 -0.20 0.00 -2.44 0.00 0.00 57.07 55.46 2gsk s TYR 534 Cb -0.03 -2.32 -0.06 0.00 0.35 0.00 0.00 41.96 39.89 2gsk s TYR 534 CO 0.01 0.63 1.13 -1.25 -1.34 0.00 0.00 175.55 174.73 2gsk s PRO 535 N -1.06 3.48 -0.37 4.97 0.04 -1.26 -5.07 135.00 135.72 2gsk s PRO 535 Ca 0.24 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.64 2gsk s PRO 535 Cb -0.17 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2gsk s PRO 535 CO 0.14 -0.75 1.06 0.71 0.04 0.00 0.00 177.00 178.20 2gsk s TYR 536 N -1.72 3.04 0.61 0.56 2.02 -1.24 -5.00 117.35 115.62 2gsk s TYR 536 Ca 0.70 0.98 -0.09 0.00 -0.37 0.00 0.00 57.07 58.29 2gsk s TYR 536 Cb -0.25 -3.89 -0.02 0.00 -0.40 0.00 0.00 41.96 37.39 2gsk s TYR 536 CO 0.29 -0.92 0.98 -0.65 -1.57 0.00 0.00 175.55 173.68 2gsk s GLN 537 N 3.85 3.38 -0.14 -0.62 -1.52 -1.24 -4.79 119.66 118.57 2gsk s GLN 537 Ca 0.45 0.51 -0.17 0.00 -1.95 0.00 0.00 55.36 54.20 2gsk s GLN 537 Cb -0.11 -2.14 -0.04 0.00 -0.22 0.00 0.00 33.01 30.50 2gsk s GLN 537 CO 0.21 -0.60 0.41 0.99 -0.25 0.00 0.00 175.29 176.05 2gsk s THR 538 N -3.11 5.23 0.17 -0.19 2.01 -1.26 -0.32 115.64 118.16 2gsk s THR 538 Ca 0.54 0.81 0.06 0.00 0.31 0.00 0.00 61.69 63.41 2gsk s THR 538 Cb -0.11 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2gsk s THR 538 CO 0.51 0.34 0.07 0.68 -0.69 0.00 0.00 174.62 175.53 2gsk s VAL 539 N 0.65 4.12 -0.15 3.82 -7.23 0.11 -4.93 120.40 116.79 2gsk s VAL 539 Ca 0.22 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 2gsk s VAL 539 Cb -0.14 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.69 2gsk s VAL 539 CO 0.08 -0.11 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.95 2gsk s LYS 540 N -3.01 3.57 -0.17 4.82 2.20 -1.26 -1.41 119.74 124.48 2gsk s LYS 540 Ca 0.29 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 55.25 2gsk s LYS 540 Cb -0.10 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 2gsk s LYS 540 CO 0.21 0.19 0.08 -1.64 -0.36 0.00 0.00 175.35 173.84 2gsk s MET 541 N 0.46 3.85 0.73 4.03 -1.94 0.13 -4.97 119.30 121.58 2gsk s MET 541 Ca -0.05 -0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 53.52 2gsk s MET 541 Cb -0.15 -3.22 0.03 0.00 2.01 0.00 0.00 34.83 33.51 2gsk s MET 541 CO 0.03 0.41 1.09 0.20 -0.01 0.00 0.00 175.02 176.74 2gsk s GLY 542 N 0.01 1.85 0.57 -0.03 0.00 -1.26 -2.15 107.32 106.31 2gsk s GLY 542 Ca 0.07 0.35 -0.21 0.00 0.00 0.00 0.00 44.72 44.94 2gsk s GLY 542 CO 0.00 0.70 1.32 -0.32 0.00 0.00 0.00 173.10 174.81 2gsk s GLY 543 N -3.13 2.87 0.02 0.20 0.00 -1.26 -4.75 107.32 101.27 2gsk s GLY 543 Ca 0.63 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 46.61 2gsk s GLY 543 CO 0.51 1.75 -0.03 -1.34 0.00 0.00 0.00 173.10 173.99 2gsk s VAL 544 N -1.36 0.11 -0.14 1.40 -7.23 -0.18 -4.98 120.40 108.03 2gsk s VAL 544 Ca 0.74 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.96 2gsk s VAL 544 Cb -0.38 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2gsk s VAL 544 CO 0.44 -0.51 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.22 2gsk s SER 545 N -1.50 4.66 0.05 4.85 0.01 -1.26 -0.60 113.70 119.91 2gsk s SER 545 Ca -0.15 -0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.02 2gsk s SER 545 Cb -0.09 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 2gsk s SER 545 CO -0.01 0.20 -0.16 -0.76 0.41 0.00 0.00 173.24 172.91 2gsk s LEU 546 N 0.19 2.19 -0.03 2.44 1.43 -0.01 -4.92 118.68 119.98 2gsk s LEU 546 Ca -0.03 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2gsk s LEU 546 Cb -0.14 -0.71 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 2gsk s LEU 546 CO 0.03 0.06 -0.11 0.26 0.23 0.00 0.00 176.35 176.81 2gsk s TRP 547 N -0.90 1.14 0.10 0.29 0.52 -1.26 -0.51 118.94 118.32 2gsk s TRP 547 Ca 0.03 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 55.95 2gsk s TRP 547 Cb -0.08 -0.78 -0.03 0.00 -1.15 0.00 0.00 33.47 31.42 2gsk s TRP 547 CO 0.02 -0.09 -0.20 -0.51 0.02 0.00 0.00 176.95 176.19 2gsk s ASP 548 N 0.04 2.40 -0.05 2.95 1.01 -0.68 -0.97 116.67 121.38 2gsk s ASP 548 Ca -0.01 -0.69 0.01 0.00 0.71 0.00 0.00 52.55 52.57 2gsk s ASP 548 Cb -0.08 -0.12 0.02 0.00 1.01 0.00 0.00 42.92 43.74 2gsk s ASP 548 CO 0.01 0.03 -0.07 -0.22 0.21 0.00 0.00 175.17 175.13 2gsk s LEU 549 N -1.94 1.40 -0.00 1.23 2.96 -0.35 -1.72 118.68 120.25 2gsk s LEU 549 Ca 0.06 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2gsk s LEU 549 Cb -0.10 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 2gsk s LEU 549 CO 0.04 -0.03 -0.07 0.00 -1.32 0.00 0.00 176.35 174.96 2gsk s ALA 550 N 0.89 0.62 0.03 5.97 0.00 -0.35 -0.46 121.76 128.46 2gsk s ALA 550 Ca -0.11 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.53 2gsk s ALA 550 Cb -0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2gsk s ALA 550 CO 0.01 0.14 -0.09 0.54 0.00 0.00 0.00 175.76 176.36 2gsk s VAL 551 N -0.23 0.68 0.00 0.00 0.11 -0.59 -0.72 120.40 119.65 2gsk s VAL 551 Ca 0.02 -0.83 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 2gsk s VAL 551 Cb -0.03 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2gsk s VAL 551 CO -0.00 -0.13 -0.08 0.00 -3.33 0.00 0.00 175.10 171.55 2gsk s ALA 552 N -0.89 0.67 -0.03 1.54 0.00 -0.56 -0.80 121.76 121.69 2gsk s ALA 552 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2gsk s ALA 552 Cb -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2gsk s ALA 552 CO 0.01 0.14 0.03 -0.47 0.00 0.00 0.00 175.76 175.47 2gsk s TYR 553 N -0.37 0.12 -0.84 0.00 5.04 0.40 -1.37 117.35 120.33 2gsk s TYR 553 Ca 0.01 0.14 -0.25 0.00 -2.44 0.00 0.00 57.07 54.53 2gsk s TYR 553 Cb -0.04 -0.39 0.04 0.00 0.35 0.00 0.00 41.96 41.92 2gsk s TYR 553 CO -0.00 -0.15 1.33 -1.25 -1.34 0.00 0.00 175.55 174.14 2gsk s PRO 554 N 1.53 3.34 0.18 4.97 0.04 -1.26 -1.51 135.00 142.29 2gsk s PRO 554 Ca -0.03 -0.61 -0.11 0.00 0.04 0.00 0.00 61.00 60.29 2gsk s PRO 554 Cb -0.13 -4.63 0.09 0.00 0.04 0.00 0.00 34.50 29.87 2gsk s PRO 554 CO -0.03 -2.15 1.74 0.28 0.04 0.00 0.00 177.00 176.88 2gsk h VAL 555 N 6.31 1.23 -4.12 -0.36 2.07 -0.68 -3.45 116.25 117.25 2gsk h VAL 555 Ca -0.10 -0.71 -0.35 0.00 0.82 0.00 0.00 66.70 66.36 2gsk h VAL 555 Cb 1.04 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.23 2gsk h VAL 555 CO 1.33 0.28 -0.35 0.35 0.02 0.00 0.00 177.57 179.20 2gsk n THR 556 N -4.45 0.00 0.25 2.57 -2.24 -0.97 -4.98 114.28 104.46 2gsk n THR 556 Ca 0.04 -1.80 0.12 0.00 -2.27 0.00 0.00 64.05 60.14 2gsk n THR 556 Cb 0.16 0.90 0.63 0.00 -2.10 0.00 0.00 70.33 69.92 2gsk n THR 556 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2gsk h SER 557 N 1.51 0.00 0.00 3.42 0.87 -2.00 -3.07 113.55 114.28 2gsk h SER 557 Ca -0.17 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2gsk h SER 557 Cb 0.89 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2gsk h SER 557 CO 0.25 0.16 -1.87 1.41 -0.53 0.00 0.00 176.83 176.26 2gsk n HIS 558 N -3.56 0.00 -4.29 2.24 8.25 -1.26 -4.95 115.22 111.65 2gsk n HIS 558 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 2gsk n HIS 558 Cb 0.30 -0.45 -0.15 0.00 1.12 0.00 0.00 29.99 30.81 2gsk n HIS 558 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2gsk s LEU 559 N -4.35 2.44 -0.06 2.41 2.96 -1.16 -1.12 118.68 119.79 2gsk s LEU 559 Ca -0.07 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 2gsk s LEU 559 Cb 0.11 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 2gsk s LEU 559 CO 0.77 0.04 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.70 2gsk s THR 560 N 1.09 2.02 -0.02 3.68 2.01 -0.54 0.12 115.64 124.00 2gsk s THR 560 Ca -0.00 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.97 2gsk s THR 560 Cb -0.14 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 2gsk s THR 560 CO -0.05 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 2gsk s VAL 561 N -0.12 3.76 0.05 3.82 1.01 -0.57 -1.13 120.40 127.22 2gsk s VAL 561 Ca -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2gsk s VAL 561 Cb -0.14 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2gsk s VAL 561 CO 0.04 0.46 -0.07 -0.13 0.00 0.00 0.00 175.10 175.39 2gsk s ARG 562 N -1.25 0.54 -0.00 2.72 0.52 0.06 -0.45 118.95 121.09 2gsk s ARG 562 Ca 0.16 -0.82 -0.05 0.00 -0.52 0.00 0.00 55.73 54.50 2gsk s ARG 562 Cb -0.11 -0.24 -0.00 0.00 0.52 0.00 0.00 34.95 35.12 2gsk s ARG 562 CO 0.06 0.03 0.10 0.20 0.02 0.00 0.00 175.30 175.71 2gsk s GLY 563 N -1.75 0.06 -0.02 -3.53 0.00 0.02 -0.87 107.32 101.24 2gsk s GLY 563 Ca -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.48 2gsk s GLY 563 CO -0.00 -0.25 0.05 1.25 0.00 0.00 0.00 173.10 174.15 2gsk s LYS 564 N -1.15 0.10 -0.24 2.90 2.20 0.41 -1.54 119.74 122.42 2gsk s LYS 564 Ca -0.12 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2gsk s LYS 564 Cb -0.07 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.34 2gsk s LYS 564 CO 0.01 -0.02 -0.11 0.42 -0.36 0.00 0.00 175.35 175.29 2gsk s ILE 565 N -0.14 2.33 -0.01 5.43 1.01 0.39 -1.38 121.20 128.82 2gsk s ILE 565 Ca -0.02 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.13 2gsk s ILE 565 Cb -0.01 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 2gsk s ILE 565 CO 0.00 0.13 0.39 0.00 0.00 0.00 0.00 174.94 175.46 2gsk s ALA 566 N 1.19 3.71 -0.74 9.38 0.00 -0.13 -1.22 121.76 133.95 2gsk s ALA 566 Ca -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 2gsk s ALA 566 Cb -0.18 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.59 2gsk s ALA 566 CO -0.06 0.48 0.65 -1.71 0.00 0.00 0.00 175.76 175.11 2gsk n ASN 567 N 1.88 -6.25 -0.14 0.00 2.85 -0.73 -2.18 115.26 110.69 2gsk n ASN 567 Ca -0.14 -0.46 -0.02 0.00 -0.11 0.00 0.00 54.58 53.84 2gsk n ASN 567 Cb 0.52 -3.33 0.20 0.00 1.24 0.00 0.00 39.78 38.41 2gsk n ASN 567 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2gsk h LEU 568 N 0.32 0.79 -1.38 1.20 5.85 -1.24 -1.68 115.31 119.17 2gsk h LEU 568 Ca -0.34 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2gsk h LEU 568 Cb 1.22 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2gsk h LEU 568 CO 0.32 0.74 0.00 0.49 -0.34 0.00 0.00 178.44 179.65 2gsk n PHE 569 N -4.30 0.53 -4.07 1.25 3.72 -1.26 -4.94 117.46 108.39 2gsk n PHE 569 Ca 0.05 -0.24 -0.30 0.00 -0.05 0.00 0.00 57.45 56.91 2gsk n PHE 569 Cb 0.19 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2gsk n PHE 569 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gsk n ASP 570 N 0.40 -1.82 -4.71 4.37 2.03 -0.63 -4.87 116.55 111.33 2gsk n ASP 570 Ca 0.11 -1.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.00 2gsk n ASP 570 Cb 0.36 -2.96 -0.03 0.00 -0.72 0.00 0.00 41.12 37.77 2gsk n ASP 570 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2gsk s LYS 571 N -6.73 4.18 0.11 -0.67 2.47 -1.26 -4.81 119.74 113.03 2gsk s LYS 571 Ca 0.35 2.44 -0.30 0.00 -1.56 0.00 0.00 55.97 56.90 2gsk s LYS 571 Cb -0.19 -3.35 -0.06 0.00 -1.46 0.00 0.00 37.83 32.77 2gsk s LYS 571 CO 0.90 -0.71 1.05 -0.51 0.16 0.00 0.00 175.35 176.24 2gsk s ASP 572 N 1.80 7.34 0.16 1.43 1.01 -1.26 -4.67 116.67 122.48 2gsk s ASP 572 Ca 0.74 1.92 -0.24 0.00 0.71 0.00 0.00 52.55 55.68 2gsk s ASP 572 Cb -0.44 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 40.97 2gsk s ASP 572 CO 0.33 -0.21 1.01 -0.72 0.21 0.00 0.00 175.17 175.79 2gsk s TYR 573 N 0.20 -0.03 -0.07 4.23 1.13 -1.26 -5.10 117.35 116.44 2gsk s TYR 573 Ca 0.50 -0.31 -0.08 0.00 -1.41 0.00 0.00 57.07 55.77 2gsk s TYR 573 Cb -0.26 0.66 0.02 0.00 -1.10 0.00 0.00 41.96 41.28 2gsk s TYR 573 CO 0.31 -0.85 0.22 -1.21 -2.51 0.00 0.00 175.55 171.51 2gsk s GLU 574 N -2.73 0.29 -0.01 -3.49 2.02 -1.26 -3.96 118.70 109.56 2gsk s GLU 574 Ca 0.17 0.23 0.19 0.00 0.02 0.00 0.00 54.97 55.57 2gsk s GLU 574 Cb -0.02 0.14 -0.20 0.00 0.10 0.00 0.00 34.13 34.15 2gsk s GLU 574 CO 0.03 -0.04 0.57 0.25 0.02 0.00 0.00 175.26 176.09 2gsk n THR 575 N 2.77 0.91 -4.96 3.63 -2.24 -1.26 -4.89 114.28 108.24 2gsk n THR 575 Ca -0.14 -0.68 -0.32 0.00 -2.27 0.00 0.00 64.05 60.64 2gsk n THR 575 Cb 0.58 -0.46 -0.17 0.00 -2.10 0.00 0.00 70.33 68.18 2gsk n THR 575 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2gsk s VAL 576 N -3.00 2.18 0.23 2.28 1.01 -1.26 -4.75 120.40 117.09 2gsk s VAL 576 Ca -0.06 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 60.65 2gsk s VAL 576 Cb 0.09 -1.86 -0.12 0.00 0.00 0.00 0.00 36.38 34.49 2gsk s VAL 576 CO 0.84 0.55 1.64 0.00 0.00 0.00 0.00 175.10 178.13 2gsk n TYR 577 N 3.74 2.67 0.00 5.22 9.36 -1.26 -2.25 117.16 134.63 2gsk n TYR 577 Ca -0.19 0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2gsk n TYR 577 Cb 0.52 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 2gsk n TYR 577 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2gsk n GLY 578 N 3.20 2.55 3.35 2.98 0.00 -1.26 -4.79 105.19 111.23 2gsk n GLY 578 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2gsk n GLY 578 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gsk s TYR 579 N -2.18 3.23 0.50 1.61 2.02 -0.96 -0.96 117.35 120.60 2gsk s TYR 579 Ca 0.00 -1.03 -0.22 0.00 -0.37 0.00 0.00 57.07 55.46 2gsk s TYR 579 Cb 0.00 -2.36 -0.06 0.00 -0.40 0.00 0.00 41.96 39.13 2gsk s TYR 579 CO 0.00 -0.63 1.20 -0.65 -1.57 0.00 0.00 175.55 173.90 2gsk s GLN 580 N 1.52 3.50 0.42 -0.62 1.11 -0.23 -4.59 119.66 120.77 2gsk s GLN 580 Ca 0.02 1.85 0.08 0.00 0.01 0.00 0.00 55.36 57.32 2gsk s GLN 580 Cb -0.19 -2.27 -0.00 0.00 -1.01 0.00 0.00 33.01 29.54 2gsk s GLN 580 CO 0.05 -0.79 0.47 0.95 0.01 0.00 0.00 175.29 175.99 2gsk s THR 581 N -1.53 2.78 0.32 -0.19 -4.23 -1.25 -4.19 115.64 107.36 2gsk s THR 581 Ca 0.68 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 2gsk s THR 581 Cb -0.31 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 70.66 2gsk s THR 581 CO 0.36 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.23 2gsk h ALA 582 N 0.83 1.26 -0.08 3.99 0.00 -1.92 -3.48 119.26 119.85 2gsk h ALA 582 Ca -0.40 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.20 2gsk h ALA 582 Cb 1.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gsk h ALA 582 CO 0.51 0.49 -0.01 0.41 0.00 0.00 0.00 179.25 180.66 2gsk n GLY 583 N -0.51 -2.15 3.71 0.00 0.00 -1.26 -4.83 105.19 100.16 2gsk n GLY 583 Ca -0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2gsk n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gsk s ARG 584 N -0.43 4.30 -0.02 1.61 3.52 -1.25 -4.72 118.95 121.95 2gsk s ARG 584 Ca 0.00 2.11 0.03 0.00 -0.13 0.00 0.00 55.73 57.74 2gsk s ARG 584 Cb 0.00 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2gsk s ARG 584 CO 0.00 -0.49 -0.10 -1.21 -0.81 0.00 0.00 175.30 172.70 2gsk s GLU 585 N 1.33 0.96 -0.08 5.12 2.02 -0.93 -4.99 118.70 122.14 2gsk s GLU 585 Ca 0.66 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 55.31 2gsk s GLU 585 Cb -0.37 -0.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 2gsk s GLU 585 CO 0.30 0.14 -0.04 0.71 0.02 0.00 0.00 175.26 176.39 2gsk s TYR 586 N 0.09 3.02 -0.01 1.61 2.02 -1.26 -0.95 117.35 121.86 2gsk s TYR 586 Ca -0.01 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.78 2gsk s TYR 586 Cb -0.08 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 2gsk s TYR 586 CO 0.00 0.37 -0.07 0.99 -1.57 0.00 0.00 175.55 175.28 2gsk s THR 587 N -0.79 0.55 -0.08 -0.71 2.01 -0.48 -0.25 115.64 115.89 2gsk s THR 587 Ca 0.12 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.90 2gsk s THR 587 Cb -0.11 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.91 2gsk s THR 587 CO 0.02 0.17 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.70 2gsk s LEU 588 N 0.07 1.95 0.18 4.42 2.96 0.13 -0.45 118.68 127.94 2gsk s LEU 588 Ca -0.00 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2gsk s LEU 588 Cb -0.05 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 2gsk s LEU 588 CO -0.00 0.13 0.14 -0.94 -1.32 0.00 0.00 176.35 174.37 2gsk s SER 589 N 0.34 0.17 -0.01 3.68 1.04 -0.05 -0.24 113.70 118.64 2gsk s SER 589 Ca -0.14 -1.25 -0.05 0.00 0.48 0.00 0.00 55.95 54.98 2gsk s SER 589 Cb -0.16 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2gsk s SER 589 CO 0.06 -0.83 0.11 -0.83 0.98 0.00 0.00 173.24 172.73 2gsk s GLY 590 N -3.10 0.04 -0.06 7.32 0.00 -0.18 -0.76 107.32 110.58 2gsk s GLY 590 Ca 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.94 2gsk s GLY 590 CO 0.07 -0.20 -0.02 -1.35 0.00 0.00 0.00 173.10 171.61 2gsk s SER 591 N -1.04 1.27 -0.19 1.64 1.04 -0.28 -1.91 113.70 114.23 2gsk s SER 591 Ca -0.11 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 2gsk s SER 591 Cb -0.06 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 65.60 2gsk s SER 591 CO 0.01 -0.13 -0.08 -0.47 0.98 0.00 0.00 173.24 173.55 2gsk s TYR 592 N 1.48 2.91 -0.02 5.02 5.04 0.94 -1.47 117.35 131.26 2gsk s TYR 592 Ca -0.02 -0.90 0.08 0.00 -2.44 0.00 0.00 57.07 53.79 2gsk s TYR 592 Cb -0.13 -2.02 -0.02 0.00 0.35 0.00 0.00 41.96 40.14 2gsk s TYR 592 CO -0.03 -0.46 -0.25 0.99 -1.34 0.00 0.00 175.55 174.45 2gsk s THR 593 N 1.13 2.10 0.00 4.34 2.01 -0.28 0.22 115.64 125.16 2gsk s THR 593 Ca 0.01 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.91 2gsk s THR 593 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.64 2gsk s THR 593 CO -0.02 0.58 0.00 2.22 -0.69 0.00 0.00 174.62 176.71