#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2guf s ASP 2 N 0.00 6.20 0.00 2.61 -1.08 -0.84 -4.85 116.67 118.70 2guf s ASP 2 Ca 0.00 0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.18 2guf s ASP 2 Cb 0.00 -2.55 0.13 0.00 -1.46 0.00 0.00 42.92 39.03 2guf s ASP 2 CO 0.00 -1.70 0.92 0.35 0.52 0.00 0.00 175.17 175.25 2guf n THR 3 N 6.70 0.21 -1.73 1.71 -2.24 -1.26 -4.21 114.28 113.45 2guf n THR 3 Ca 0.09 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 2guf n THR 3 Cb 0.49 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 2guf n THR 3 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2guf n SER 4 N 0.56 3.91 0.26 3.42 7.64 -1.26 -4.92 113.62 123.23 2guf n SER 4 Ca 0.07 1.10 0.18 0.00 1.01 0.00 0.00 58.87 61.23 2guf n SER 4 Cb 0.29 -1.58 0.79 0.00 -1.01 0.00 0.00 64.21 62.70 2guf n SER 4 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2guf h PRO 5 N 5.76 0.00 0.00 1.43 0.13 -1.97 -3.02 132.00 134.33 2guf h PRO 5 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2guf h PRO 5 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2guf h PRO 5 CO 0.87 0.00 -0.42 -0.44 -0.23 0.00 0.00 178.00 177.78 2guf h ASP 6 N 0.00 0.00 -3.27 1.44 3.32 -1.95 -0.11 116.42 115.84 2guf h ASP 6 Ca 0.00 -0.11 -0.55 0.00 0.02 0.00 0.00 57.03 56.38 2guf h ASP 6 Cb 0.33 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.97 2guf h ASP 6 CO 0.00 0.06 0.73 0.41 -1.72 0.00 0.00 179.24 178.71 2guf n THR 7 N -2.30 1.38 -2.87 0.35 -1.04 -1.14 -4.58 114.28 104.08 2guf n THR 7 Ca 0.04 -0.35 -0.40 0.00 -2.04 0.00 0.00 64.05 61.30 2guf n THR 7 Cb 0.45 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 2guf n THR 7 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2guf s LEU 8 N -0.75 4.50 0.21 -4.42 1.43 -1.26 -0.13 118.68 118.25 2guf s LEU 8 Ca 0.61 1.63 0.11 0.00 -1.03 0.00 0.00 54.13 55.45 2guf s LEU 8 Cb -0.54 -3.39 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 2guf s LEU 8 CO 0.54 0.01 -0.22 0.68 0.23 0.00 0.00 176.35 177.60 2guf s VAL 9 N -0.22 2.31 -1.06 -1.59 -7.23 0.12 -4.87 120.40 107.86 2guf s VAL 9 Ca 0.41 -2.12 0.12 0.00 -1.81 0.00 0.00 61.98 58.58 2guf s VAL 9 Cb -0.22 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 2guf s VAL 9 CO 0.26 -0.23 0.69 1.33 -0.31 0.00 0.00 175.10 176.85 2guf n VAL 10 N 0.02 0.00 0.20 1.32 0.24 -1.26 -1.27 118.33 117.57 2guf n VAL 10 Ca -0.10 -0.36 0.12 0.00 -2.04 0.00 0.00 64.34 61.95 2guf n VAL 10 Cb 0.57 1.13 0.07 0.00 -1.47 0.00 0.00 33.84 34.14 2guf n VAL 10 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2guf h THR 11 N 1.23 0.00 -0.22 3.34 2.02 -1.89 0.61 112.91 118.00 2guf h THR 11 Ca 0.00 -0.93 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 2guf h THR 11 Cb 0.40 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2guf h THR 11 CO 0.00 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.71 2guf h ALA 12 N 2.07 0.32 0.00 6.16 0.00 -1.87 -3.37 119.26 122.58 2guf h ALA 12 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2guf h ALA 12 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2guf h ALA 12 CO 0.00 0.24 -0.27 0.27 0.00 0.00 0.00 179.25 179.49 2guf n ASN 13 N -4.44 0.67 0.00 0.00 0.23 -1.24 -4.97 115.26 105.50 2guf n ASN 13 Ca -0.05 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.93 2guf n ASN 13 Cb 0.39 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 2guf n ASN 13 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2guf n ARG 14 N -0.36 0.00 -4.39 -3.83 1.74 0.20 -5.00 116.66 105.01 2guf n ARG 14 Ca 0.04 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.87 2guf n ARG 14 Cb 0.62 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 2guf n ARG 14 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2guf s PHE 15 N -1.76 2.51 0.24 -1.55 0.40 -1.16 -4.86 117.98 111.80 2guf s PHE 15 Ca 0.00 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 2guf s PHE 15 Cb 0.00 -1.44 -0.09 0.00 0.51 0.00 0.00 43.02 41.99 2guf s PHE 15 CO 0.00 0.51 1.28 -1.21 0.70 0.00 0.00 175.22 176.51 2guf s GLU 16 N -3.68 4.41 0.05 0.44 2.02 -1.26 -4.29 118.70 116.40 2guf s GLU 16 Ca 0.34 2.06 -0.19 0.00 0.02 0.00 0.00 54.97 57.20 2guf s GLU 16 Cb 0.00 -3.17 0.04 0.00 0.10 0.00 0.00 34.13 31.11 2guf s GLU 16 CO 0.19 -0.18 0.43 1.14 0.02 0.00 0.00 175.26 176.85 2guf s GLN 17 N -0.65 0.95 0.35 1.61 -2.07 -0.40 -4.95 119.66 114.50 2guf s GLN 17 Ca 0.53 -0.38 -0.28 0.00 -1.82 0.00 0.00 55.36 53.41 2guf s GLN 17 Cb -0.37 0.43 -0.10 0.00 -1.09 0.00 0.00 33.01 31.88 2guf s GLN 17 CO 0.42 -0.34 1.31 -2.14 -1.32 0.00 0.00 175.29 173.23 2guf s PRO 18 N -2.61 4.26 0.44 9.60 0.02 -1.26 0.11 135.00 145.57 2guf s PRO 18 Ca -0.04 2.22 0.17 0.00 0.02 0.00 0.00 61.00 63.36 2guf s PRO 18 Cb -0.01 -3.00 1.10 0.00 0.02 0.00 0.00 34.50 32.62 2guf s PRO 18 CO -0.03 -0.27 1.94 0.00 -0.33 0.00 0.00 177.00 178.31 2guf h ARG 19 N 3.21 0.34 0.00 5.54 3.08 -0.45 0.21 114.38 126.30 2guf h ARG 19 Ca -0.49 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 2guf h ARG 19 Cb 1.23 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 2guf h ARG 19 CO 0.65 0.22 -0.01 0.66 -1.07 0.00 0.00 179.97 180.42 2guf h SER 20 N 0.35 0.00 0.20 7.04 4.64 -1.27 -1.07 113.55 123.44 2guf h SER 20 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2guf h SER 20 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2guf h SER 20 CO -0.09 0.01 -0.47 0.35 -0.87 0.00 0.00 176.83 175.76 2guf n THR 21 N -3.24 0.00 -2.97 2.95 -2.24 0.06 -4.76 114.28 104.08 2guf n THR 21 Ca -0.02 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 2guf n THR 21 Cb 0.13 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 2guf n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2guf s VAL 22 N -2.68 4.88 0.00 2.28 1.01 -0.41 -4.95 120.40 120.53 2guf s VAL 22 Ca 0.18 1.35 0.10 0.00 0.00 0.00 0.00 61.98 63.61 2guf s VAL 22 Cb 0.18 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2guf s VAL 22 CO 0.62 -0.07 1.28 -0.07 0.00 0.00 0.00 175.10 176.86 2guf h LEU 23 N 9.15 0.00-10.18 3.92 3.38 -1.85 -3.45 115.31 116.27 2guf h LEU 23 Ca -0.24 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.21 2guf h LEU 23 Cb 1.10 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.96 2guf h LEU 23 CO 0.84 0.81 0.38 0.00 0.09 0.00 0.00 178.44 180.57 2guf s ALA 24 N -2.80 2.42 0.20 1.53 0.00 -1.26 -4.97 121.76 116.88 2guf s ALA 24 Ca 0.02 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.31 2guf s ALA 24 Cb 0.09 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 2guf s ALA 24 CO 0.79 -1.34 1.44 -2.14 0.00 0.00 0.00 175.76 174.51 2guf s PRO 25 N -3.97 4.29 0.03 0.00 0.02 -1.26 -4.87 135.00 129.23 2guf s PRO 25 Ca 0.69 2.23 0.06 0.00 0.02 0.00 0.00 61.00 64.00 2guf s PRO 25 Cb -0.23 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 2guf s PRO 25 CO 0.41 -0.43 -0.17 0.95 -0.33 0.00 0.00 177.00 177.42 2guf s THR 26 N 0.44 1.36 -0.00 0.99 -4.23 -1.26 -0.93 115.64 112.01 2guf s THR 26 Ca 0.62 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 60.20 2guf s THR 26 Cb -0.40 -1.19 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 2guf s THR 26 CO 0.38 0.18 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.57 2guf s THR 27 N -0.69 1.41 -0.10 3.99 2.01 0.91 -4.99 115.64 118.18 2guf s THR 27 Ca 0.05 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2guf s THR 27 Cb -0.08 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.26 2guf s THR 27 CO 0.01 0.35 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.41 2guf s VAL 28 N -0.49 1.68 -0.08 3.82 1.01 -1.26 -0.75 120.40 124.33 2guf s VAL 28 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2guf s VAL 28 Cb -0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2guf s VAL 28 CO -0.00 0.48 -0.07 -0.69 0.00 0.00 0.00 175.10 174.81 2guf s VAL 29 N 0.65 3.67 0.37 2.92 1.01 -0.10 -1.99 120.40 126.94 2guf s VAL 29 Ca -0.13 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.45 2guf s VAL 29 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2guf s VAL 29 CO 0.04 0.58 0.20 0.42 0.00 0.00 0.00 175.10 176.34 2guf s THR 30 N -0.58 2.85 0.40 3.92 -4.23 -1.26 -1.32 115.64 115.42 2guf s THR 30 Ca 0.09 -1.61 0.07 0.00 -1.18 0.00 0.00 61.69 59.06 2guf s THR 30 Cb -0.12 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.00 2guf s THR 30 CO 0.02 -0.11 2.02 -0.09 -0.54 0.00 0.00 174.62 175.92 2guf h ARG 31 N 1.41 0.59 -0.52 3.99 9.65 -1.42 -1.68 114.38 126.40 2guf h ARG 31 Ca -0.43 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.50 2guf h ARG 31 Cb 1.25 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.63 2guf h ARG 31 CO 0.63 0.39 0.14 0.37 2.80 0.00 0.00 179.97 184.30 2guf h GLN 32 N 0.61 0.28 0.13 0.20 4.15 -1.95 0.13 115.11 118.66 2guf h GLN 32 Ca 0.21 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 2guf h GLN 32 Cb 0.09 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2guf h GLN 32 CO -0.05 0.19 -0.08 -0.44 -1.93 0.00 0.00 178.83 176.51 2guf h ASP 33 N 0.29 -0.20 -0.52 -0.69 3.45 -1.73 0.14 116.42 117.17 2guf h ASP 33 Ca 0.26 0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.78 2guf h ASP 33 Cb 0.33 0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.11 2guf h ASP 33 CO -0.30 -0.13 0.25 0.40 -1.57 0.00 0.00 179.24 177.89 2guf h ILE 34 N -0.21 0.93 -0.61 0.35 2.04 -0.91 0.80 117.51 119.91 2guf h ILE 34 Ca -0.01 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2guf h ILE 34 Cb 0.17 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2guf h ILE 34 CO 0.01 0.09 0.26 0.44 0.00 0.00 0.00 178.15 178.95 2guf h ASP 35 N 0.48 0.83 -0.26 1.72 3.32 -0.36 0.16 116.42 122.32 2guf h ASP 35 Ca 0.23 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2guf h ASP 35 Cb 0.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2guf h ASP 35 CO -0.18 0.76 -0.17 0.03 -1.72 0.00 0.00 179.24 177.97 2guf h ARG 36 N 0.85 0.57 0.00 3.56 3.08 -0.50 -2.95 114.38 118.98 2guf h ARG 36 Ca 0.20 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2guf h ARG 36 Cb 0.18 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2guf h ARG 36 CO -0.02 0.84 -0.12 -1.49 -1.07 0.00 0.00 179.97 178.12 2guf h TRP 37 N 0.29 0.00 -5.45 3.04 6.55 -0.68 -3.45 115.95 116.25 2guf h TRP 37 Ca 0.05 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.52 2guf h TRP 37 Cb 0.70 0.00 0.13 0.00 -0.86 0.00 0.00 29.16 29.13 2guf h TRP 37 CO 0.07 0.12 -0.62 1.04 -1.05 0.00 0.00 178.44 177.99 2guf n GLN 38 N -3.46 -7.33 -2.11 0.49 6.02 0.54 -4.95 117.38 106.58 2guf n GLN 38 Ca -0.01 0.76 -0.40 0.00 -0.01 0.00 0.00 57.00 57.33 2guf n GLN 38 Cb 0.28 -5.61 -0.02 0.00 1.02 0.00 0.00 30.24 25.91 2guf n GLN 38 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2guf s SER 39 N -3.30 6.71 0.00 1.08 0.01 -1.12 -4.92 113.70 112.16 2guf s SER 39 Ca 0.54 2.68 0.10 0.00 1.31 0.00 0.00 55.95 60.58 2guf s SER 39 Cb -0.24 -2.65 0.14 0.00 0.21 0.00 0.00 66.02 63.48 2guf s SER 39 CO 0.67 -0.58 0.94 0.35 0.41 0.00 0.00 173.24 175.03 2guf n THR 40 N 0.71 0.27 -3.80 1.44 -2.24 -1.26 -5.00 114.28 104.40 2guf n THR 40 Ca 0.00 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 2guf n THR 40 Cb 0.42 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.64 2guf n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2guf s SER 41 N -0.90 -0.23 0.21 3.42 1.04 -1.26 -4.69 113.70 111.29 2guf s SER 41 Ca 0.15 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2guf s SER 41 Cb 0.09 0.59 0.14 0.00 0.10 0.00 0.00 66.02 66.95 2guf s SER 41 CO 0.13 -1.09 1.49 0.58 0.98 0.00 0.00 173.24 175.33 2guf h VAL 42 N 2.19 1.42 -0.99 5.02 2.07 -1.89 -2.96 116.25 121.11 2guf h VAL 42 Ca -0.27 -2.21 0.05 0.00 0.82 0.00 0.00 66.70 65.09 2guf h VAL 42 Cb 1.26 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 33.13 2guf h VAL 42 CO 0.36 0.65 0.65 0.78 0.02 0.00 0.00 177.57 180.03 2guf h ASN 43 N 0.16 1.06 0.23 0.57 2.35 -1.95 -0.25 115.58 117.76 2guf h ASN 43 Ca -0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2guf h ASN 43 Cb 1.26 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 2guf h ASN 43 CO 0.11 0.71 -0.05 -0.78 -1.65 0.00 0.00 177.43 175.77 2guf h ASP 44 N 1.22 0.00 0.00 5.81 3.58 -1.92 -0.62 116.42 124.49 2guf h ASP 44 Ca 0.41 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 2guf h ASP 44 Cb 0.07 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2guf h ASP 44 CO -0.14 0.05 -0.02 0.58 -2.88 0.00 0.00 179.24 176.83 2guf h VAL 45 N 0.00 1.50 -0.83 2.25 2.07 -1.29 -3.38 116.25 116.56 2guf h VAL 45 Ca -0.00 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.40 2guf h VAL 45 Cb 0.18 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 2guf h VAL 45 CO 0.01 0.51 0.55 -0.07 0.02 0.00 0.00 177.57 178.59 2guf h LEU 46 N -1.00 0.96 -2.10 2.57 3.38 -0.80 -2.41 115.31 115.90 2guf h LEU 46 Ca -0.01 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2guf h LEU 46 Cb 0.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2guf h LEU 46 CO -0.00 0.69 0.32 0.08 0.09 0.00 0.00 178.44 179.62 2guf h ARG 47 N 1.13 0.00 -0.00 1.13 0.11 -1.29 -0.95 114.38 114.52 2guf h ARG 47 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 2guf h ARG 47 Cb -0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.95 2guf h ARG 47 CO -0.07 0.00 -0.19 0.54 0.10 0.00 0.00 179.97 180.35 2guf n ARG 48 N -3.35 0.34 -4.18 0.08 1.74 -0.91 -4.85 116.66 105.54 2guf n ARG 48 Ca 0.02 -0.13 -0.22 0.00 -0.77 0.00 0.00 57.85 56.75 2guf n ARG 48 Cb 0.43 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 2guf n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2guf s LEU 49 N -2.74 3.60 0.29 0.55 1.43 -0.36 -4.97 118.68 116.47 2guf s LEU 49 Ca 0.20 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 2guf s LEU 49 Cb 0.19 -2.13 -0.13 0.00 0.03 0.00 0.00 46.19 44.15 2guf s LEU 49 CO 0.55 -0.02 1.31 -2.65 0.23 0.00 0.00 176.35 175.77 2guf n PRO 50 N -1.06 1.98 -0.04 1.29 -0.02 -1.26 -2.66 135.00 133.24 2guf n PRO 50 Ca -0.07 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2guf n PRO 50 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2guf n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2guf n GLY 51 N 1.48 2.43 3.69 -1.23 0.00 -1.26 -4.92 105.19 105.38 2guf n GLY 51 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2guf n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2guf s VAL 52 N -2.87 5.29 -0.28 1.61 1.01 -1.09 -1.50 120.40 122.58 2guf s VAL 52 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2guf s VAL 52 Cb 0.00 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.84 2guf s VAL 52 CO 0.00 0.34 0.01 -0.62 0.00 0.00 0.00 175.10 174.82 2guf s ASP 53 N 0.80 4.17 -0.10 3.32 2.15 0.36 -4.82 116.67 122.54 2guf s ASP 53 Ca 0.14 -1.56 0.03 0.00 0.43 0.00 0.00 52.55 51.59 2guf s ASP 53 Cb -0.13 -1.24 0.01 0.00 -0.30 0.00 0.00 42.92 41.25 2guf s ASP 53 CO 0.05 -0.32 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.91 2guf s ILE 54 N 1.30 1.73 -0.08 4.11 1.01 -1.26 -0.60 121.20 127.41 2guf s ILE 54 Ca 0.02 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.89 2guf s ILE 54 Cb -0.19 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.76 2guf s ILE 54 CO -0.11 0.49 -0.16 0.42 0.00 0.00 0.00 174.94 175.58 2guf s THR 55 N 0.68 1.43 0.32 2.92 -4.23 -0.66 -4.99 115.64 111.11 2guf s THR 55 Ca -0.12 -0.64 0.07 0.00 -1.18 0.00 0.00 61.69 59.82 2guf s THR 55 Cb -0.16 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 2guf s THR 55 CO 0.03 0.42 0.29 -1.10 -0.54 0.00 0.00 174.62 173.72 2guf s GLN 56 N 0.66 2.81 0.00 3.99 -0.21 -1.26 -0.56 119.66 125.09 2guf s GLN 56 Ca -0.14 -1.21 0.00 0.00 0.02 0.00 0.00 55.36 54.03 2guf s GLN 56 Cb -0.16 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.32 2guf s GLN 56 CO 0.04 0.16 0.00 1.28 -2.12 0.00 0.00 175.29 174.65 2guf n LEU 63 N -1.36 0.00 -3.63 2.90 4.77 -1.26 -4.93 117.00 113.49 2guf n LEU 63 Ca -0.03 0.90 -0.15 0.00 -0.03 0.00 0.00 56.01 56.70 2guf n LEU 63 Cb 0.59 -1.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.26 2guf n LEU 63 CO 0.43 -1.01 0.33 -0.94 -1.33 0.00 0.00 177.39 174.87 2guf s SER 64 N 0.00 -0.63 -0.25 -1.43 1.04 -1.26 -5.13 113.70 106.03 2guf s SER 64 Ca 0.00 1.07 -0.07 0.00 0.48 0.00 0.00 55.95 57.43 2guf s SER 64 Cb 0.00 1.05 -0.02 0.00 0.10 0.00 0.00 66.02 67.16 2guf s SER 64 CO 0.00 -0.33 0.06 -0.55 0.98 0.00 0.00 173.24 173.40 2guf s SER 65 N -0.13 5.02 -0.10 7.02 0.15 0.28 -4.96 113.70 120.98 2guf s SER 65 Ca -0.03 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.33 2guf s SER 65 Cb -0.03 -1.89 0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2guf s SER 65 CO 0.03 -0.06 -0.20 -0.63 1.20 0.00 0.00 173.24 173.58 2guf s ILE 66 N 1.58 1.78 -0.03 6.45 1.01 -1.26 -1.65 121.20 129.08 2guf s ILE 66 Ca 0.06 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.90 2guf s ILE 66 Cb -0.15 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 2guf s ILE 66 CO 0.03 0.50 -0.14 -0.36 0.00 0.00 0.00 174.94 174.97 2guf s PHE 67 N 0.57 1.37 -0.14 3.97 0.40 0.23 -2.40 117.98 121.98 2guf s PHE 67 Ca -0.15 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2guf s PHE 67 Cb -0.17 -0.94 0.03 0.00 0.51 0.00 0.00 43.02 42.46 2guf s PHE 67 CO 0.05 -0.13 -0.07 0.42 0.70 0.00 0.00 175.22 176.18 2guf s ILE 68 N 0.10 1.14 -1.44 0.64 1.01 0.54 -0.49 121.20 122.70 2guf s ILE 68 Ca -0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 2guf s ILE 68 Cb -0.10 -1.22 0.07 0.00 0.01 0.00 0.00 42.46 41.22 2guf s ILE 68 CO 0.01 0.26 0.69 0.54 0.00 0.00 0.00 174.94 176.45 2guf n ARG 69 N 4.89 -4.33 -0.28 2.79 1.74 -0.56 -2.53 116.66 118.37 2guf n ARG 69 Ca -0.13 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2guf n ARG 69 Cb 0.49 -5.37 0.00 0.00 -1.02 0.00 0.00 32.46 26.55 2guf n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2guf n GLY 70 N -1.41 0.95 3.48 -0.13 0.00 -1.26 -4.99 105.19 101.82 2guf n GLY 70 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2guf n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2guf s THR 71 N -2.73 2.25 0.88 2.61 -4.23 -1.05 -4.91 115.64 108.46 2guf s THR 71 Ca 0.00 -2.30 -0.11 0.00 -1.18 0.00 0.00 61.69 58.10 2guf s THR 71 Cb 0.00 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.56 2guf s THR 71 CO 0.00 -0.35 1.09 0.54 -0.54 0.00 0.00 174.62 175.36 2guf s ASN 72 N -3.52 3.58 0.51 3.99 2.20 -1.26 -0.34 114.94 120.10 2guf s ASN 72 Ca 0.30 1.51 0.34 0.00 -0.94 0.00 0.00 52.86 54.07 2guf s ASN 72 Cb -0.01 -2.19 1.82 0.00 -2.00 0.00 0.00 41.25 38.86 2guf s ASN 72 CO 0.14 -2.57 2.04 0.00 -2.94 0.00 0.00 177.10 173.77 2guf h ALA 73 N -1.50 1.00 0.00 3.54 0.00 -1.84 -0.77 119.26 119.69 2guf h ALA 73 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2guf h ALA 73 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2guf h ALA 73 CO 0.54 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.66 2guf n SER 74 N -2.72 0.20 -0.88 0.00 3.41 -1.26 -1.12 113.62 111.26 2guf n SER 74 Ca -0.02 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 2guf n SER 74 Cb 0.08 -0.60 0.28 0.00 -0.26 0.00 0.00 64.21 63.71 2guf n SER 74 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2guf n HIS 75 N -1.73 0.43 -4.75 7.33 8.25 -0.30 -4.71 115.22 119.74 2guf n HIS 75 Ca 0.02 -0.22 -0.33 0.00 -0.26 0.00 0.00 57.72 56.94 2guf n HIS 75 Cb 0.15 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 2guf n HIS 75 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2guf s VAL 76 N -1.57 2.57 -0.12 1.59 1.01 -0.27 0.67 120.40 124.28 2guf s VAL 76 Ca 0.35 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 2guf s VAL 76 Cb 0.19 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2guf s VAL 76 CO 0.27 0.53 0.64 -0.22 0.00 0.00 0.00 175.10 176.32 2guf s LEU 77 N 0.60 4.25 -0.23 3.92 2.96 -0.39 -4.87 118.68 124.92 2guf s LEU 77 Ca -0.10 1.00 -0.12 0.00 -0.22 0.00 0.00 54.13 54.70 2guf s LEU 77 Cb -0.16 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2guf s LEU 77 CO 0.03 -0.15 0.22 -0.69 -1.32 0.00 0.00 176.35 174.45 2guf s VAL 78 N 1.13 5.32 0.15 1.68 1.01 -1.26 -0.15 120.40 128.28 2guf s VAL 78 Ca 0.32 0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.72 2guf s VAL 78 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2guf s VAL 78 CO 0.14 0.33 -0.18 -0.76 0.00 0.00 0.00 175.10 174.62 2guf s LEU 79 N 1.08 2.67 -0.22 3.92 1.43 0.05 -1.09 118.68 126.52 2guf s LEU 79 Ca 0.11 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2guf s LEU 79 Cb -0.14 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.65 2guf s LEU 79 CO 0.05 0.15 -0.11 -0.63 0.23 0.00 0.00 176.35 176.04 2guf s ILE 80 N -1.39 2.59 -1.39 -0.59 -1.09 0.11 -1.31 121.20 118.13 2guf s ILE 80 Ca 0.20 -1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 2guf s ILE 80 Cb -0.09 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.55 2guf s ILE 80 CO 0.11 0.30 0.74 0.47 -1.23 0.00 0.00 174.94 175.33 2guf n ASP 81 N 4.64 -2.03 0.00 3.58 8.00 0.05 -0.66 116.55 130.13 2guf n ASP 81 Ca -0.18 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2guf n ASP 81 Cb 0.48 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 2guf n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2guf n GLY 82 N -1.66 1.41 3.31 0.44 0.00 -1.26 -5.01 105.19 102.42 2guf n GLY 82 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2guf n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2guf s VAL 83 N -3.78 2.72 -0.03 1.61 1.01 0.17 -5.00 120.40 117.09 2guf s VAL 83 Ca 0.00 -0.77 -0.40 0.00 0.00 0.00 0.00 61.98 60.81 2guf s VAL 83 Cb 0.00 -2.12 -0.19 0.00 0.00 0.00 0.00 36.38 34.07 2guf s VAL 83 CO 0.00 0.53 1.21 -1.14 0.00 0.00 0.00 175.10 175.70 2guf n ARG 84 N 3.67 0.37 -2.93 2.72 0.63 -1.26 0.06 116.66 119.92 2guf n ARG 84 Ca -0.19 0.13 -0.41 0.00 -0.92 0.00 0.00 57.85 56.47 2guf n ARG 84 Cb 0.52 -1.68 -0.04 0.00 0.45 0.00 0.00 32.46 31.71 2guf n ARG 84 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2guf s LEU 85 N 0.51 4.29 -0.49 6.15 2.96 -0.25 -4.71 118.68 127.15 2guf s LEU 85 Ca 0.91 1.29 -0.27 0.00 -0.22 0.00 0.00 54.13 55.84 2guf s LEU 85 Cb -1.19 -3.23 -0.08 0.00 0.50 0.00 0.00 46.19 42.19 2guf s LEU 85 CO 0.56 -0.22 2.41 -3.20 -1.32 0.00 0.00 176.35 174.58 2guf n ASN 86 N 4.19 2.28 -1.40 3.68 2.85 -1.26 -4.76 115.26 120.84 2guf n ASN 86 Ca 0.02 -0.37 -0.10 0.00 -0.11 0.00 0.00 54.58 54.01 2guf n ASN 86 Cb 0.51 -1.53 0.10 0.00 1.24 0.00 0.00 39.78 40.10 2guf n ASN 86 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2guf n LEU 87 N 15.02 3.89 -1.01 1.20 4.77 -1.26 -4.69 117.00 134.92 2guf n LEU 87 Ca 0.38 -4.34 0.11 0.00 -0.03 0.00 0.00 56.01 52.13 2guf n LEU 87 Cb 0.50 -0.41 0.25 0.00 -2.33 0.00 0.00 43.42 41.43 2guf n LEU 87 CO 0.72 1.78 0.72 0.00 -1.33 0.00 0.00 177.39 179.28 2guf n ALA 88 N -0.88 2.44 -0.50 -1.18 0.00 -1.26 -3.84 120.51 115.30 2guf n ALA 88 Ca 0.32 -0.88 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 2guf n ALA 88 Cb 0.85 -0.93 0.26 0.00 0.00 0.00 0.00 19.45 19.62 2guf n ALA 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2guf s GLY 89 N -1.49 1.54 0.23 0.00 0.00 -1.26 -0.57 107.32 105.78 2guf s GLY 89 Ca 0.37 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 2guf s GLY 89 CO 0.30 0.63 1.62 -2.08 0.00 0.00 0.00 173.10 173.57 2guf h VAL 90 N -2.69 0.32 0.00 1.40 2.07 -1.93 0.16 116.25 115.58 2guf h VAL 90 Ca -0.62 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2guf h VAL 90 Cb 1.33 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2guf h VAL 90 CO 0.50 0.01 0.00 -1.20 0.02 0.00 0.00 177.57 176.89 2guf n SER 91 N -5.41 0.00 0.00 0.57 7.64 -1.26 -4.71 113.62 110.45 2guf n SER 91 Ca 0.11 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.85 2guf n SER 91 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2guf n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2guf n GLY 92 N 0.69 2.64 0.00 0.23 0.00 0.56 -1.86 105.19 107.45 2guf n GLY 92 Ca 0.16 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.89 2guf n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2guf n SER 93 N 0.34 0.00 0.32 1.61 7.64 -1.25 -2.14 113.62 120.14 2guf n SER 93 Ca 0.00 0.41 0.20 0.00 1.01 0.00 0.00 58.87 60.49 2guf n SER 93 Cb 0.00 -0.45 1.09 0.00 -1.01 0.00 0.00 64.21 63.83 2guf n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2guf h ALA 94 N 2.53 1.19 0.00 -0.43 0.00 -1.73 -1.25 119.26 119.56 2guf h ALA 94 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2guf h ALA 94 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2guf h ALA 94 CO 0.00 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 2guf n ASP 95 N -3.19 0.00 -0.12 0.00 10.43 -0.91 -2.65 116.55 120.11 2guf n ASP 95 Ca -0.02 0.35 0.16 0.00 2.57 0.00 0.00 54.79 57.85 2guf n ASP 95 Cb 0.15 -0.44 0.54 0.00 1.84 0.00 0.00 41.12 43.21 2guf n ASP 95 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2guf h LEU 96 N 0.00 0.32 0.00 0.64 5.85 -1.46 0.33 115.31 120.99 2guf h LEU 96 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2guf h LEU 96 Cb 0.29 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2guf h LEU 96 CO 0.00 0.17 0.00 -1.54 -0.34 0.00 0.00 178.44 176.73 2guf n SER 97 N -4.46 0.00 0.18 1.25 3.41 -1.08 -1.81 113.62 111.10 2guf n SER 97 Ca 0.13 0.08 0.10 0.00 -0.26 0.00 0.00 58.87 58.92 2guf n SER 97 Cb 0.52 -0.31 0.10 0.00 -0.26 0.00 0.00 64.21 64.26 2guf n SER 97 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2guf h GLN 98 N 0.00 0.00 -6.44 4.33 1.08 -0.55 -3.46 115.11 110.06 2guf h GLN 98 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 2guf h GLN 98 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2guf h GLN 98 CO 0.00 0.10 0.69 0.12 -0.95 0.00 0.00 178.83 178.79 2guf s PHE 99 N -3.18 3.20 0.03 2.96 5.36 -0.75 -4.95 117.98 120.64 2guf s PHE 99 Ca 0.05 1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 56.79 2guf s PHE 99 Cb 0.06 -3.55 -0.06 0.00 -0.34 0.00 0.00 43.02 39.14 2guf s PHE 99 CO 0.71 -1.87 1.31 -1.25 -1.46 0.00 0.00 175.22 172.67 2guf s PRO 100 N 1.60 4.34 0.55 10.12 0.05 -1.26 -4.54 135.00 145.86 2guf s PRO 100 Ca 0.61 1.89 0.25 0.00 0.05 0.00 0.00 61.00 63.80 2guf s PRO 100 Cb -0.31 -3.45 1.45 0.00 0.05 0.00 0.00 34.50 32.25 2guf s PRO 100 CO 0.28 -0.44 2.04 0.97 0.05 0.00 0.00 177.00 179.90 2guf h ILE 101 N 4.69 0.68 0.00 0.56 6.09 -1.90 -2.22 117.51 125.41 2guf h ILE 101 Ca -0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2guf h ILE 101 Cb 1.19 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.28 2guf h ILE 101 CO 0.87 0.00 0.01 0.00 -3.07 0.00 0.00 178.15 175.95 2guf h ALA 102 N 1.77 1.00 0.00 0.18 0.00 -1.94 -2.45 119.26 117.83 2guf h ALA 102 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2guf h ALA 102 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2guf h ALA 102 CO -0.00 -0.00 -0.87 1.28 0.00 0.00 0.00 179.25 179.66 2guf n LEU 103 N -2.76 0.84 -4.62 0.00 4.32 -0.83 -4.86 117.00 109.08 2guf n LEU 103 Ca -0.02 -0.49 -0.43 0.00 -0.02 0.00 0.00 56.01 55.04 2guf n LEU 103 Cb 0.06 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 2guf n LEU 103 CO 0.16 0.21 1.01 -0.69 -1.22 0.00 0.00 177.39 176.86 2guf s VAL 104 N -2.72 4.32 -0.03 4.08 1.01 -0.92 -4.16 120.40 121.98 2guf s VAL 104 Ca 0.07 1.45 0.15 0.00 0.00 0.00 0.00 61.98 63.65 2guf s VAL 104 Cb 0.14 -4.47 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 2guf s VAL 104 CO 0.74 -0.72 0.33 0.00 0.00 0.00 0.00 175.10 175.46 2guf n GLN 105 N 7.37 0.48 -3.52 2.72 1.13 0.33 -4.82 117.38 121.07 2guf n GLN 105 Ca 0.12 -0.14 -0.13 0.00 -1.94 0.00 0.00 57.00 54.92 2guf n GLN 105 Cb 0.48 -1.35 -0.04 0.00 0.11 0.00 0.00 30.24 29.43 2guf n GLN 105 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2guf s ARG 106 N -3.03 0.91 -0.06 -1.09 3.52 -0.43 -1.08 118.95 117.68 2guf s ARG 106 Ca -0.05 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 2guf s ARG 106 Cb 0.10 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.94 2guf s ARG 106 CO 0.62 -0.32 -0.04 0.08 -0.81 0.00 0.00 175.30 174.83 2guf s VAL 107 N -1.87 0.57 -0.14 7.11 1.01 -0.44 0.64 120.40 127.29 2guf s VAL 107 Ca -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2guf s VAL 107 Cb -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2guf s VAL 107 CO 0.01 0.26 -0.07 -1.61 0.00 0.00 0.00 175.10 173.69 2guf s GLU 108 N 1.39 3.46 -0.15 2.72 2.02 0.16 -0.92 118.70 127.39 2guf s GLU 108 Ca -0.03 -0.58 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 2guf s GLU 108 Cb -0.13 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 31.36 2guf s GLU 108 CO -0.03 0.28 -0.00 -0.47 0.02 0.00 0.00 175.26 175.07 2guf s TYR 109 N 0.21 1.12 -0.16 1.61 5.04 0.07 0.01 117.35 125.25 2guf s TYR 109 Ca -0.05 -0.71 0.01 0.00 -2.44 0.00 0.00 57.07 53.89 2guf s TYR 109 Cb -0.14 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.14 2guf s TYR 109 CO 0.04 -0.52 -0.19 0.42 -1.34 0.00 0.00 175.55 173.95 2guf s ILE 110 N 1.83 1.95 0.46 3.14 1.01 -0.50 -0.06 121.20 129.02 2guf s ILE 110 Ca 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 2guf s ILE 110 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2guf s ILE 110 CO -0.07 0.52 0.75 -0.13 0.00 0.00 0.00 174.94 176.02 2guf s ARG 111 N 1.18 3.54 0.00 2.79 0.52 -0.11 -0.99 118.95 125.89 2guf s ARG 111 Ca 0.01 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.35 2guf s ARG 111 Cb -0.14 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.92 2guf s ARG 111 CO -0.09 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.48 2guf n GLY 112 N -2.18 0.82 3.77 -3.53 0.00 0.83 -4.26 105.19 100.63 2guf n GLY 112 Ca -0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 2guf n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2guf s PRO 113 N -2.10 3.08 -0.05 1.61 0.04 -1.15 -3.12 135.00 133.31 2guf s PRO 113 Ca 0.00 1.61 0.13 0.00 0.04 0.00 0.00 61.00 62.77 2guf s PRO 113 Cb 0.00 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.81 2guf s PRO 113 CO 0.00 -1.06 1.12 -2.13 0.04 0.00 0.00 177.00 174.97 2guf n ARG 114 N -1.70 0.25 0.14 4.56 0.63 -0.18 -4.88 116.66 115.47 2guf n ARG 114 Ca 0.12 -1.58 0.03 0.00 -0.92 0.00 0.00 57.85 55.49 2guf n ARG 114 Cb 0.51 0.15 0.39 0.00 0.45 0.00 0.00 32.46 33.96 2guf n ARG 114 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2guf h SER 115 N 0.66 0.18 0.13 6.15 0.02 -1.70 -1.20 113.55 117.78 2guf h SER 115 Ca -0.40 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2guf h SER 115 Cb 1.57 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.07 2guf h SER 115 CO -0.10 0.37 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 2guf n ALA 116 N -2.49 1.60 -0.03 3.77 0.00 -1.26 0.34 120.51 122.45 2guf n ALA 116 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2guf n ALA 116 Cb 0.29 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2guf n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2guf n VAL 117 N -1.24 0.28 0.55 0.00 0.31 -1.07 -3.42 118.33 113.73 2guf n VAL 117 Ca 0.04 -0.08 0.07 0.00 -0.01 0.00 0.00 64.34 64.36 2guf n VAL 117 Cb 0.06 -1.25 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 2guf n VAL 117 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2guf n TYR 118 N -3.02 0.00 -0.81 3.52 4.02 -0.48 -4.91 117.16 115.48 2guf n TYR 118 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 2guf n TYR 118 Cb 0.58 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2guf n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2guf n GLY 119 N 1.41 -1.55 3.66 2.72 0.00 0.15 -4.97 105.19 106.61 2guf n GLY 119 Ca 0.02 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 2guf n GLY 119 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2guf n SER 120 N 0.03 1.93 0.00 1.61 2.88 -1.26 -3.60 113.62 115.21 2guf n SER 120 Ca 0.00 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2guf n SER 120 Cb 0.00 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.03 2guf n SER 120 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2guf n ASP 121 N 0.25 0.00 -3.89 -3.46 9.92 -0.05 -4.94 116.55 114.37 2guf n ASP 121 Ca 0.08 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.92 2guf n ASP 121 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 2guf n ASP 121 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2guf n ALA 122 N -0.88 5.19 -0.11 2.24 0.00 -1.24 -3.54 120.51 122.17 2guf n ALA 122 Ca 0.00 -3.96 -0.21 0.00 0.00 0.00 0.00 53.44 49.27 2guf n ALA 122 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 19.45 15.94 2guf n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2guf n ILE 123 N 4.96 1.44 0.07 0.00 5.41 -0.70 -1.01 119.36 129.53 2guf n ILE 123 Ca 0.49 -0.17 -0.05 0.00 1.00 0.00 0.00 62.75 64.02 2guf n ILE 123 Cb 0.40 -2.01 -0.10 0.00 -0.71 0.00 0.00 39.64 37.22 2guf n ILE 123 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2guf h GLY 124 N -0.92 0.00 0.00 7.39 0.00 0.02 -3.05 103.07 106.51 2guf h GLY 124 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2guf h GLY 124 CO -0.25 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.90 2guf n GLY 125 N 1.34 -1.06 2.90 4.60 0.00 -1.18 -0.12 105.19 111.67 2guf n GLY 125 Ca -0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 2guf n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2guf s VAL 126 N -3.00 0.28 -0.19 1.61 1.01 -0.16 -1.26 120.40 118.69 2guf s VAL 126 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2guf s VAL 126 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2guf s VAL 126 CO 0.00 0.11 -0.19 -0.69 0.00 0.00 0.00 175.10 174.33 2guf s VAL 127 N 0.23 2.06 -0.31 2.92 1.01 0.79 -1.41 120.40 125.68 2guf s VAL 127 Ca -0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2guf s VAL 127 Cb -0.05 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2guf s VAL 127 CO -0.00 0.47 0.03 0.21 0.00 0.00 0.00 175.10 175.81 2guf s ASN 128 N 1.27 5.01 -0.37 3.32 2.47 0.10 -0.77 114.94 125.98 2guf s ASN 128 Ca 0.03 -1.24 -0.22 0.00 0.42 0.00 0.00 52.86 51.85 2guf s ASN 128 Cb -0.14 -1.76 0.01 0.00 -1.45 0.00 0.00 41.25 37.91 2guf s ASN 128 CO -0.12 -0.28 0.73 -0.63 -3.72 0.00 0.00 177.10 173.08 2guf s ILE 129 N 1.29 4.79 -0.20 -5.21 1.01 -0.43 -0.66 121.20 121.78 2guf s ILE 129 Ca -0.04 0.73 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 2guf s ILE 129 Cb -0.20 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 2guf s ILE 129 CO -0.00 -0.41 0.12 -0.63 0.00 0.00 0.00 174.94 174.02 2guf s ILE 130 N 2.97 5.29 -2.90 2.92 1.01 0.21 -0.77 121.20 129.92 2guf s ILE 130 Ca 0.29 0.15 0.23 0.00 0.00 0.00 0.00 60.65 61.32 2guf s ILE 130 Cb -0.14 -3.42 0.20 0.00 0.01 0.00 0.00 42.46 39.11 2guf s ILE 130 CO 0.17 0.43 1.25 0.35 0.00 0.00 0.00 174.94 177.13 2guf n THR 131 N 3.64 0.02 -4.57 2.92 -2.24 -1.26 -0.52 114.28 112.28 2guf n THR 131 Ca -0.16 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 2guf n THR 131 Cb 0.52 1.47 -0.11 0.00 -2.10 0.00 0.00 70.33 70.10 2guf n THR 131 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2guf s THR 132 N -1.93 3.29 -0.04 4.28 -4.23 -1.26 -4.71 115.64 111.05 2guf s THR 132 Ca 0.28 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 2guf s THR 132 Cb 0.20 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.66 2guf s THR 132 CO 0.29 0.39 0.39 0.00 -0.54 0.00 0.00 174.62 175.15 2guf s ARG 133 N -1.37 0.71 -0.65 3.99 1.70 -1.26 -4.78 118.95 117.29 2guf s ARG 133 Ca 0.16 -0.01 -0.23 0.00 -0.47 0.00 0.00 55.73 55.18 2guf s ARG 133 Cb -0.11 0.32 0.06 0.00 -0.57 0.00 0.00 34.95 34.65 2guf s ARG 133 CO 0.06 -0.19 0.99 0.34 -1.08 0.00 0.00 175.30 175.43 2guf s ASP 134 N -1.09 6.19 -0.51 -2.89 2.15 -1.26 -4.86 116.67 114.41 2guf s ASP 134 Ca -0.11 -0.84 0.07 0.00 0.43 0.00 0.00 52.55 52.10 2guf s ASP 134 Cb -0.04 -2.44 0.20 0.00 -0.30 0.00 0.00 42.92 40.34 2guf s ASP 134 CO 0.05 -1.45 0.76 1.21 -0.17 0.00 0.00 175.17 175.56 2guf n GLU 135 N 7.85 0.55 -2.14 4.34 4.07 -1.26 -5.16 120.64 128.90 2guf n GLU 135 Ca -0.02 -1.97 -0.33 0.00 -0.06 0.00 0.00 57.16 54.77 2guf n GLU 135 Cb 0.46 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.42 2guf n GLU 135 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2guf s PRO 136 N 0.85 3.37 0.00 5.31 0.04 -1.26 -4.65 135.00 138.66 2guf s PRO 136 Ca 0.30 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2guf s PRO 136 Cb 0.03 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2guf s PRO 136 CO -0.07 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2guf n GLY 137 N -0.68 0.47 2.81 0.56 0.00 0.06 -4.92 105.19 103.49 2guf n GLY 137 Ca 0.09 -2.29 -0.14 0.00 0.00 0.00 0.00 46.02 43.68 2guf n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2guf s THR 138 N 0.00 -0.01 -0.02 2.61 2.01 -1.26 -0.53 115.64 118.44 2guf s THR 138 Ca 0.00 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.20 2guf s THR 138 Cb 0.00 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 2guf s THR 138 CO 0.00 0.07 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.11 2guf s GLU 139 N 0.76 1.53 -0.11 4.92 2.12 -0.48 -0.76 118.70 126.68 2guf s GLU 139 Ca -0.07 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.63 2guf s GLU 139 Cb -0.09 -1.47 -0.00 0.00 0.26 0.00 0.00 34.13 32.82 2guf s GLU 139 CO -0.02 0.40 -0.22 0.42 -0.54 0.00 0.00 175.26 175.30 2guf s ILE 140 N -0.43 2.25 0.10 -3.70 1.01 -0.32 -1.77 121.20 118.34 2guf s ILE 140 Ca 0.07 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2guf s ILE 140 Cb -0.07 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2guf s ILE 140 CO -0.01 0.55 -0.09 -0.44 0.00 0.00 0.00 174.94 174.96 2guf s SER 141 N 0.35 1.35 -0.01 3.58 0.01 0.15 -0.04 113.70 119.08 2guf s SER 141 Ca -0.17 -0.87 -0.28 0.00 1.31 0.00 0.00 55.95 55.94 2guf s SER 141 Cb -0.18 0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.18 2guf s SER 141 CO 0.08 -0.32 0.82 0.00 0.41 0.00 0.00 173.24 174.23 2guf s ALA 142 N -2.79 -1.80 0.04 1.44 0.00 -0.86 -1.12 121.76 116.68 2guf s ALA 142 Ca 0.07 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 2guf s ALA 142 Cb -0.01 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.34 2guf s ALA 142 CO -0.01 -0.58 0.26 0.20 0.00 0.00 0.00 175.76 175.63 2guf s GLY 143 N -2.06 -0.05 0.06 0.00 0.00 0.22 -1.52 107.32 103.97 2guf s GLY 143 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.56 2guf s GLY 143 CO -0.05 -0.33 0.03 -0.98 0.00 0.00 0.00 173.10 171.77 2guf s TRP 144 N -2.63 0.39 0.00 1.90 0.51 0.43 -0.58 118.94 118.96 2guf s TRP 144 Ca -0.04 -0.88 0.00 0.00 -2.12 0.00 0.00 56.10 53.05 2guf s TRP 144 Cb -0.01 -0.28 0.00 0.00 -0.81 0.00 0.00 33.47 32.37 2guf s TRP 144 CO -0.04 -0.41 0.00 0.41 -0.51 0.00 0.00 176.95 176.40 2guf n GLY 145 N 0.19 0.81 3.70 0.98 0.00 -0.89 -1.08 105.19 108.91 2guf n GLY 145 Ca -0.15 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 2guf n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2guf n SER 146 N -0.05 2.27 -2.96 1.61 7.64 -0.35 -2.24 113.62 119.54 2guf n SER 146 Ca 0.00 1.01 -0.18 0.00 1.01 0.00 0.00 58.87 60.72 2guf n SER 146 Cb 0.00 -1.50 0.07 0.00 -1.01 0.00 0.00 64.21 61.76 2guf n SER 146 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2guf n ASN 147 N -0.34 -4.64 -2.21 6.43 5.03 -1.26 -2.90 115.26 115.37 2guf n ASN 147 Ca 0.09 -0.45 -0.17 0.00 0.87 0.00 0.00 54.58 54.92 2guf n ASN 147 Cb 0.42 -4.14 -0.02 0.00 -1.02 0.00 0.00 39.78 35.02 2guf n ASN 147 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2guf n SER 148 N -2.25 -4.97 -4.72 6.41 7.64 -1.20 -2.04 113.62 112.47 2guf n SER 148 Ca -0.05 0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.55 2guf n SER 148 Cb 0.57 -4.23 -0.02 0.00 -1.01 0.00 0.00 64.21 59.51 2guf n SER 148 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2guf n TYR 149 N -3.40 2.69 -3.78 1.43 9.36 -0.95 -4.65 117.16 117.87 2guf n TYR 149 Ca -0.20 0.24 -0.14 0.00 3.32 0.00 0.00 57.90 61.11 2guf n TYR 149 Cb 0.64 -2.59 -0.16 0.00 -0.63 0.00 0.00 39.34 36.60 2guf n TYR 149 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2guf s GLN 150 N -0.05 -0.02 -0.01 2.98 -0.21 0.83 -2.09 119.66 121.09 2guf s GLN 150 Ca 0.68 0.19 0.01 0.00 0.02 0.00 0.00 55.36 56.26 2guf s GLN 150 Cb -0.53 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.27 2guf s GLN 150 CO 0.45 -0.15 -0.05 1.21 -2.12 0.00 0.00 175.29 174.63 2guf s ASN 151 N 0.95 0.64 -0.00 5.90 3.84 0.25 -1.00 114.94 125.53 2guf s ASN 151 Ca -0.08 -0.09 0.01 0.00 0.21 0.00 0.00 52.86 52.90 2guf s ASN 151 Cb -0.11 -0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.45 2guf s ASN 151 CO -0.03 0.03 -0.02 -0.31 -2.79 0.00 0.00 177.10 173.99 2guf s TYR 152 N 0.13 0.19 -0.17 0.43 1.51 0.11 -0.61 117.35 118.95 2guf s TYR 152 Ca -0.01 -0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 55.92 2guf s TYR 152 Cb -0.05 -0.15 0.06 0.00 -0.11 0.00 0.00 41.96 41.71 2guf s TYR 152 CO -0.00 -0.02 0.42 0.34 -1.11 0.00 0.00 175.55 175.18 2guf s ASP 153 N 0.07 -0.51 -0.07 2.29 -1.08 -0.28 -0.38 116.67 116.71 2guf s ASP 153 Ca -0.00 0.90 0.03 0.00 -0.52 0.00 0.00 52.55 52.95 2guf s ASP 153 Cb -0.02 0.80 0.01 0.00 -1.46 0.00 0.00 42.92 42.25 2guf s ASP 153 CO -0.00 -0.19 -0.15 -0.69 0.52 0.00 0.00 175.17 174.66 2guf s VAL 154 N 1.19 1.37 0.04 1.11 1.01 -0.81 -0.68 120.40 123.64 2guf s VAL 154 Ca -0.08 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2guf s VAL 154 Cb -0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2guf s VAL 154 CO -0.11 0.41 -0.04 -0.94 0.00 0.00 0.00 175.10 174.43 2guf s SER 155 N 0.58 0.48 -0.00 3.32 1.04 -0.73 -0.46 113.70 117.94 2guf s SER 155 Ca -0.16 -0.81 -0.15 0.00 0.48 0.00 0.00 55.95 55.31 2guf s SER 155 Cb -0.16 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.13 2guf s SER 155 CO 0.05 -0.47 0.33 0.28 0.98 0.00 0.00 173.24 174.41 2guf s THR 156 N -2.95 0.06 -0.14 2.02 -1.32 -0.49 -1.38 115.64 111.43 2guf s THR 156 Ca -0.01 -0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 59.93 2guf s THR 156 Cb 0.01 -0.71 0.07 0.00 -1.51 0.00 0.00 72.50 70.35 2guf s THR 156 CO -0.06 -0.28 0.18 -1.58 -2.21 0.00 0.00 174.62 170.68 2guf s GLN 157 N -1.63 0.10 -0.00 7.08 0.74 0.31 -0.77 119.66 125.48 2guf s GLN 157 Ca -0.11 0.39 0.04 0.00 0.05 0.00 0.00 55.36 55.73 2guf s GLN 157 Cb -0.04 -0.74 -0.01 0.00 1.10 0.00 0.00 33.01 33.32 2guf s GLN 157 CO 0.03 -0.46 -0.14 -0.65 -0.55 0.00 0.00 175.29 173.52 2guf s GLN 158 N 2.30 1.07 -0.11 1.67 -1.52 0.15 -0.76 119.66 122.45 2guf s GLN 158 Ca 0.04 -0.52 -0.28 0.00 -1.95 0.00 0.00 55.36 52.66 2guf s GLN 158 Cb -0.14 -1.04 -0.02 0.00 -0.22 0.00 0.00 33.01 31.60 2guf s GLN 158 CO -0.09 0.28 0.92 -0.65 -0.25 0.00 0.00 175.29 175.51 2guf s GLN 159 N -0.43 4.39 -0.91 2.91 -1.52 -1.26 -1.37 119.66 121.47 2guf s GLN 159 Ca 0.05 1.22 0.00 0.00 -1.95 0.00 0.00 55.36 54.68 2guf s GLN 159 Cb -0.06 -3.54 0.31 0.00 -0.22 0.00 0.00 33.01 29.51 2guf s GLN 159 CO -0.00 -0.26 1.39 1.28 -0.25 0.00 0.00 175.29 177.45 2guf n LEU 160 N 4.88 6.00 0.00 2.90 4.32 0.22 -4.98 117.00 130.34 2guf n LEU 160 Ca 0.06 -5.39 0.00 0.00 -0.02 0.00 0.00 56.01 50.66 2guf n LEU 160 Cb 0.49 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.27 2guf n LEU 160 CO 0.50 1.98 0.00 0.61 -1.22 0.00 0.00 177.39 179.27 2guf n GLY 161 N 0.52 0.80 0.32 -0.72 0.00 -1.26 -4.15 105.19 100.70 2guf n GLY 161 Ca 0.34 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.58 2guf n GLY 161 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2guf h ASP 162 N 0.00 0.34 0.99 1.61 3.32 -2.02 -2.90 116.42 117.76 2guf h ASP 162 Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2guf h ASP 162 Cb 0.00 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2guf h ASP 162 CO 0.00 0.24 -1.02 0.29 -1.72 0.00 0.00 179.24 177.03 2guf n LYS 163 N -4.48 0.61 -5.07 3.56 5.02 -1.26 -4.95 118.16 111.59 2guf n LYS 163 Ca 0.04 0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 2guf n LYS 163 Cb 0.18 -1.83 -0.17 0.00 -0.02 0.00 0.00 35.03 33.19 2guf n LYS 163 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2guf s THR 164 N -3.34 1.82 -0.09 -0.18 2.01 -1.10 -1.09 115.64 113.67 2guf s THR 164 Ca -0.01 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.12 2guf s THR 164 Cb 0.09 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 71.05 2guf s THR 164 CO 0.79 0.51 -0.12 -0.60 -0.69 0.00 0.00 174.62 174.51 2guf s ARG 165 N 0.29 1.83 -0.08 4.92 3.52 0.44 0.70 118.95 130.57 2guf s ARG 165 Ca -0.14 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2guf s ARG 165 Cb -0.16 -1.59 -0.03 0.00 -1.56 0.00 0.00 34.95 31.61 2guf s ARG 165 CO 0.06 -0.06 -0.09 0.54 -0.81 0.00 0.00 175.30 174.95 2guf s VAL 166 N 0.96 3.51 -0.03 7.11 0.11 -0.47 -0.21 120.40 131.38 2guf s VAL 166 Ca -0.08 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.48 2guf s VAL 166 Cb -0.15 -2.43 -0.01 0.00 -1.53 0.00 0.00 36.38 32.26 2guf s VAL 166 CO -0.00 0.58 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.26 2guf s THR 167 N -0.61 1.65 0.01 5.04 2.01 -0.46 -0.67 115.64 122.60 2guf s THR 167 Ca 0.09 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.25 2guf s THR 167 Cb -0.12 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2guf s THR 167 CO 0.02 0.47 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.59 2guf s LEU 168 N -0.24 2.06 -0.07 4.42 1.43 0.05 -1.14 118.68 125.20 2guf s LEU 168 Ca 0.01 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2guf s LEU 168 Cb -0.10 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.85 2guf s LEU 168 CO 0.01 0.02 0.24 -0.22 0.23 0.00 0.00 176.35 176.63 2guf s LEU 169 N -0.45 1.10 0.03 1.79 0.20 0.28 -1.40 118.68 120.23 2guf s LEU 169 Ca -0.00 0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.19 2guf s LEU 169 Cb -0.04 0.87 -0.02 0.00 -0.43 0.00 0.00 46.19 46.58 2guf s LEU 169 CO -0.00 -0.17 -0.07 -0.83 -0.29 0.00 0.00 176.35 174.99 2guf s GLY 170 N -0.26 0.43 -0.13 7.98 0.00 0.39 -0.91 107.32 114.83 2guf s GLY 170 Ca -0.04 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 2guf s GLY 170 CO 0.01 -0.59 0.34 -0.35 0.00 0.00 0.00 173.10 172.51 2guf s ASP 171 N -1.03 -0.37 -0.13 1.64 2.15 -0.08 -1.92 116.67 116.93 2guf s ASP 171 Ca -0.05 0.70 0.01 0.00 0.43 0.00 0.00 52.55 53.64 2guf s ASP 171 Cb -0.07 0.67 0.02 0.00 -0.30 0.00 0.00 42.92 43.24 2guf s ASP 171 CO 0.00 -0.14 -0.16 -0.47 -0.17 0.00 0.00 175.17 174.23 2guf s TYR 172 N 0.52 2.23 -0.03 -5.34 5.04 0.49 -1.12 117.35 119.14 2guf s TYR 172 Ca -0.03 -1.16 0.02 0.00 -2.44 0.00 0.00 57.07 53.46 2guf s TYR 172 Cb -0.04 -1.59 0.01 0.00 0.35 0.00 0.00 41.96 40.68 2guf s TYR 172 CO -0.03 -0.60 -0.06 0.00 -1.34 0.00 0.00 175.55 173.52 2guf s ALA 173 N 1.16 0.69 -0.09 3.97 0.00 0.10 -0.71 121.76 126.88 2guf s ALA 173 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 2guf s ALA 173 Cb -0.14 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.71 2guf s ALA 173 CO -0.06 0.07 0.17 -1.58 0.00 0.00 0.00 175.76 174.37 2guf s HIS 174 N 0.42 -0.21 -0.12 0.00 5.04 -0.17 0.03 115.29 120.28 2guf s HIS 174 Ca -0.06 0.66 -0.01 0.00 -1.54 0.00 0.00 55.06 54.11 2guf s HIS 174 Cb -0.10 -0.22 0.03 0.00 0.04 0.00 0.00 32.58 32.33 2guf s HIS 174 CO 0.00 -0.28 -0.05 0.99 -2.34 0.00 0.00 174.74 173.07 2guf s THR 175 N 2.26 0.88 0.32 0.89 2.01 -0.60 -0.12 115.64 121.28 2guf s THR 175 Ca 0.02 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 2guf s THR 175 Cb -0.12 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 2guf s THR 175 CO -0.06 0.24 0.63 -1.00 -0.69 0.00 0.00 174.62 173.75 2guf s HIS 176 N 1.75 3.47 -0.11 4.92 3.76 -0.87 0.05 115.29 128.27 2guf s HIS 176 Ca 0.03 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.77 2guf s HIS 176 Cb -0.13 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.30 2guf s HIS 176 CO -0.07 0.08 0.00 -0.25 -0.85 0.00 0.00 174.74 173.65 2guf n ASP 195 N -0.96 0.00 0.00 1.40 8.00 -1.26 -4.82 116.55 118.91 2guf n ASP 195 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2guf n ASP 195 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2guf n ASP 195 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2guf n GLY 196 N 0.56 2.47 2.63 0.44 0.00 -1.26 -4.59 105.19 105.44 2guf n GLY 196 Ca 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2guf n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2guf s PHE 197 N 0.00 0.13 -0.11 1.61 2.19 0.11 -0.55 117.98 121.36 2guf s PHE 197 Ca 0.00 -0.26 -0.04 0.00 0.33 0.00 0.00 56.93 56.95 2guf s PHE 197 Cb 0.00 -0.65 -0.04 0.00 -1.31 0.00 0.00 43.02 41.02 2guf s PHE 197 CO 0.00 -0.54 0.06 -1.17 1.83 0.00 0.00 175.22 175.40 2guf s LEU 198 N 2.16 3.93 -0.15 6.12 0.20 0.11 -1.56 118.68 129.49 2guf s LEU 198 Ca 0.03 0.27 -0.06 0.00 0.69 0.00 0.00 54.13 55.06 2guf s LEU 198 Cb -0.16 -1.93 0.07 0.00 -0.43 0.00 0.00 46.19 43.74 2guf s LEU 198 CO -0.11 0.37 0.32 -0.55 -0.29 0.00 0.00 176.35 176.09 2guf s SER 199 N -0.82 0.12 -0.12 3.68 0.15 0.10 -0.46 113.70 116.36 2guf s SER 199 Ca 0.13 0.74 0.02 0.00 0.70 0.00 0.00 55.95 57.53 2guf s SER 199 Cb -0.12 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 2guf s SER 199 CO 0.03 -0.23 -0.17 -0.54 1.20 0.00 0.00 173.24 173.52 2guf s LYS 200 N 2.45 2.42 0.05 5.44 1.02 -0.46 -0.72 119.74 129.94 2guf s LYS 200 Ca -0.00 -0.64 0.06 0.00 0.02 0.00 0.00 55.97 55.41 2guf s LYS 200 Cb -0.12 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2guf s LYS 200 CO -0.10 -0.04 -0.17 0.99 -0.92 0.00 0.00 175.35 175.10 2guf s THR 201 N 0.92 1.40 0.06 2.17 2.01 -0.27 -0.50 115.64 121.44 2guf s THR 201 Ca -0.07 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 60.86 2guf s THR 201 Cb -0.15 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2guf s THR 201 CO -0.01 0.09 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.10 2guf s LEU 202 N -1.21 2.25 -0.18 4.42 1.02 -0.48 -0.90 118.68 123.60 2guf s LEU 202 Ca 0.04 -0.58 -0.11 0.00 0.02 0.00 0.00 54.13 53.51 2guf s LEU 202 Cb -0.08 -0.55 0.06 0.00 0.02 0.00 0.00 46.19 45.64 2guf s LEU 202 CO 0.02 -0.04 0.45 -0.47 0.02 0.00 0.00 176.35 176.32 2guf s TYR 203 N -1.16 -0.66 -0.00 0.29 6.14 -0.08 -1.72 117.35 120.15 2guf s TYR 203 Ca -0.01 1.40 0.02 0.00 0.64 0.00 0.00 57.07 59.12 2guf s TYR 203 Cb -0.09 0.31 -0.00 0.00 0.42 0.00 0.00 41.96 42.59 2guf s TYR 203 CO 0.02 -0.36 -0.06 0.20 0.64 0.00 0.00 175.55 175.99 2guf s GLY 204 N 1.34 0.30 0.00 8.97 0.00 0.13 -0.56 107.32 117.50 2guf s GLY 204 Ca -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.38 2guf s GLY 204 CO -0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 173.10 172.71 2guf s ALA 205 N -0.14 0.35 -0.13 3.20 0.00 -0.29 -0.50 121.76 124.25 2guf s ALA 205 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2guf s ALA 205 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2guf s ALA 205 CO -0.00 0.07 -0.16 -0.51 0.00 0.00 0.00 175.76 175.15 2guf s LEU 206 N -0.24 2.48 -0.10 0.00 2.01 0.15 -1.36 118.68 121.63 2guf s LEU 206 Ca 0.00 -0.43 0.02 0.00 0.01 0.00 0.00 54.13 53.73 2guf s LEU 206 Cb -0.02 -1.55 0.01 0.00 0.01 0.00 0.00 46.19 44.64 2guf s LEU 206 CO -0.00 0.13 -0.17 -1.61 1.01 0.00 0.00 176.35 175.71 2guf s GLU 207 N 0.52 2.33 -0.04 1.70 2.02 0.71 -1.51 118.70 124.43 2guf s GLU 207 Ca -0.11 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.28 2guf s GLU 207 Cb -0.16 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.20 2guf s GLU 207 CO 0.04 0.03 -0.06 -1.58 0.02 0.00 0.00 175.26 173.71 2guf s HIS 208 N 0.72 0.82 -0.49 1.61 2.46 -0.30 -0.42 115.29 119.70 2guf s HIS 208 Ca -0.12 -0.24 -0.17 0.00 0.47 0.00 0.00 55.06 55.00 2guf s HIS 208 Cb -0.16 -0.69 0.07 0.00 -0.13 0.00 0.00 32.58 31.67 2guf s HIS 208 CO 0.03 -0.18 0.50 -0.80 -2.47 0.00 0.00 174.74 171.82 2guf s ASN 209 N 0.77 6.18 0.14 9.88 0.01 -0.25 -0.38 114.94 131.29 2guf s ASN 209 Ca -0.11 -1.17 -0.15 0.00 -0.71 0.00 0.00 52.86 50.72 2guf s ASN 209 Cb -0.14 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.30 2guf s ASN 209 CO 0.01 -0.77 1.70 -0.26 -1.51 0.00 0.00 177.10 176.26 2guf h PHE 210 N 8.87 0.67 -2.29 2.20 -1.00 -1.58 -3.46 116.94 120.35 2guf h PHE 210 Ca -0.28 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.45 2guf h PHE 210 Cb 1.10 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.46 2guf h PHE 210 CO 0.69 0.57 0.00 0.25 -1.61 0.00 0.00 178.31 178.21 2guf n THR 211 N -4.62 0.00 0.17 -1.55 -2.24 -0.92 -4.98 114.28 100.13 2guf n THR 211 Ca 0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2guf n THR 211 Cb 0.14 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.63 2guf n THR 211 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2guf h ASP 212 N 0.00 0.00 0.12 3.42 3.32 -1.98 -3.32 116.42 117.98 2guf h ASP 212 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 2guf h ASP 212 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 2guf h ASP 212 CO 0.00 0.48 -2.20 0.00 -1.72 0.00 0.00 179.24 175.80 2guf n ALA 213 N -2.34 1.30 -2.71 3.45 0.00 -1.26 -4.83 120.51 114.12 2guf n ALA 213 Ca -0.00 -0.95 -0.37 0.00 0.00 0.00 0.00 53.44 52.12 2guf n ALA 213 Cb 0.56 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 2guf n ALA 213 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2guf s TRP 214 N -2.54 3.50 0.08 0.00 0.52 -1.25 0.02 118.94 119.28 2guf s TRP 214 Ca -0.21 0.66 0.01 0.00 0.02 0.00 0.00 56.10 56.57 2guf s TRP 214 Cb 0.08 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 2guf s TRP 214 CO 0.73 0.29 -0.05 -1.54 0.02 0.00 0.00 176.95 176.41 2guf s SER 215 N 0.26 0.90 0.11 2.95 1.04 0.76 -1.46 113.70 118.27 2guf s SER 215 Ca 0.18 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 2guf s SER 215 Cb -0.13 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 2guf s SER 215 CO 0.05 -0.52 0.12 -0.83 0.98 0.00 0.00 173.24 173.04 2guf s GLY 216 N -3.00 0.51 0.01 7.32 0.00 0.49 0.40 107.32 113.05 2guf s GLY 216 Ca 0.11 -1.05 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 2guf s GLY 216 CO -0.06 -1.09 0.35 -0.11 0.00 0.00 0.00 173.10 172.19 2guf s PHE 217 N -3.95 -0.20 -0.04 1.90 -0.12 -0.35 -1.14 117.98 114.07 2guf s PHE 217 Ca 0.13 0.23 0.02 0.00 -0.05 0.00 0.00 56.93 57.26 2guf s PHE 217 Cb 0.06 0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.60 2guf s PHE 217 CO -0.05 -0.47 -0.10 0.08 -0.05 0.00 0.00 175.22 174.63 2guf s VAL 218 N -1.88 0.92 -0.02 -2.49 1.01 -0.57 -0.41 120.40 116.97 2guf s VAL 218 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2guf s VAL 218 Cb -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.52 2guf s VAL 218 CO 0.01 0.29 -0.01 -0.13 0.00 0.00 0.00 175.10 175.26 2guf s ARG 219 N 0.45 0.27 0.00 2.72 0.52 0.21 0.33 118.95 123.46 2guf s ARG 219 Ca -0.08 -0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 2guf s ARG 219 Cb -0.12 -0.36 -0.01 0.00 0.52 0.00 0.00 34.95 34.98 2guf s ARG 219 CO 0.02 -0.04 -0.03 0.20 0.02 0.00 0.00 175.30 175.47 2guf s GLY 220 N 0.48 0.18 0.22 -3.53 0.00 0.34 -0.17 107.32 104.84 2guf s GLY 220 Ca -0.05 -0.22 -0.16 0.00 0.00 0.00 0.00 44.72 44.29 2guf s GLY 220 CO -0.01 -0.22 0.53 -2.52 0.00 0.00 0.00 173.10 170.89 2guf s TYR 221 N -0.31 0.02 0.23 1.90 -0.85 0.00 -0.69 117.35 117.64 2guf s TYR 221 Ca -0.01 -0.39 -0.23 0.00 -0.52 0.00 0.00 57.07 55.92 2guf s TYR 221 Cb -0.03 0.37 0.04 0.00 0.38 0.00 0.00 41.96 42.72 2guf s TYR 221 CO -0.00 -0.98 0.78 0.20 -1.52 0.00 0.00 175.55 174.03 2guf s GLY 222 N -2.92 -0.18 0.01 5.49 0.00 -0.70 -0.04 107.32 108.97 2guf s GLY 222 Ca 0.13 -0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.58 2guf s GLY 222 CO 0.02 -0.03 0.40 -2.52 0.00 0.00 0.00 173.10 170.97 2guf s TYR 223 N -3.70 -0.27 -0.27 1.90 -0.85 -0.02 -1.39 117.35 112.75 2guf s TYR 223 Ca 0.10 0.35 -0.02 0.00 -0.52 0.00 0.00 57.07 56.98 2guf s TYR 223 Cb -0.04 0.19 0.03 0.00 0.38 0.00 0.00 41.96 42.51 2guf s TYR 223 CO 0.04 -0.50 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.03 2guf s ASP 224 N -1.62 4.54 -0.16 -0.18 -0.00 0.35 -1.20 116.67 118.40 2guf s ASP 224 Ca -0.09 -0.95 -0.03 0.00 -0.00 0.00 0.00 52.55 51.47 2guf s ASP 224 Cb -0.02 -1.70 -0.02 0.00 -0.00 0.00 0.00 42.92 41.17 2guf s ASP 224 CO 0.02 -0.17 -0.04 0.20 -0.00 0.00 0.00 175.17 175.18 2guf s ASN 225 N 1.33 4.66 -0.16 0.27 0.02 0.58 -1.35 114.94 120.30 2guf s ASN 225 Ca -0.01 -0.19 -0.03 0.00 -1.02 0.00 0.00 52.86 51.62 2guf s ASN 225 Cb -0.17 -1.76 -0.02 0.00 0.02 0.00 0.00 41.25 39.31 2guf s ASN 225 CO -0.03 0.14 -0.06 -0.60 0.02 0.00 0.00 177.10 176.56 2guf s ARG 226 N 0.54 3.55 -0.10 -0.60 3.52 0.40 -1.07 118.95 125.20 2guf s ARG 226 Ca -0.03 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2guf s ARG 226 Cb -0.14 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 2guf s ARG 226 CO 0.03 0.18 -0.16 0.99 -0.81 0.00 0.00 175.30 175.53 2guf s THR 227 N 0.50 1.47 -0.40 4.11 2.01 0.11 -0.71 115.64 122.73 2guf s THR 227 Ca -0.05 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 2guf s THR 227 Cb -0.15 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.04 2guf s THR 227 CO 0.03 0.43 0.30 0.20 -0.69 0.00 0.00 174.62 174.90 2guf s ASN 228 N 0.82 6.11 0.00 3.53 0.01 0.29 0.07 114.94 125.77 2guf s ASN 228 Ca -0.10 -0.81 0.00 0.00 -0.71 0.00 0.00 52.86 51.24 2guf s ASN 228 Cb -0.16 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.34 2guf s ASN 228 CO 0.01 -0.43 0.09 -1.22 -1.51 0.00 0.00 177.10 174.04 2guf n TYR 229 N 5.19 0.00 0.00 2.20 4.02 -1.26 -4.49 117.16 122.82 2guf n TYR 229 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 2guf n TYR 229 Cb 0.47 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 2guf n TYR 229 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2guf n ASP 241 N -1.24 1.93 -4.74 7.72 5.75 -1.17 -5.15 116.55 119.66 2guf n ASP 241 Ca 0.00 -0.12 -0.36 0.00 -0.01 0.00 0.00 54.79 54.31 2guf n ASP 241 Cb 0.00 0.63 -0.08 0.00 -1.03 0.00 0.00 41.12 40.63 2guf n ASP 241 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2guf s THR 242 N -1.01 4.79 -0.06 2.12 2.01 0.37 -4.98 115.64 118.88 2guf s THR 242 Ca 0.00 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.98 2guf s THR 242 Cb 0.00 -3.07 -0.00 0.00 0.01 0.00 0.00 72.50 69.44 2guf s THR 242 CO 0.00 0.58 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.72 2guf s ARG 243 N -0.71 2.24 -0.14 4.92 3.52 0.11 -1.10 118.95 127.80 2guf s ARG 243 Ca 0.12 -0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 55.02 2guf s ARG 243 Cb -0.12 -1.83 0.03 0.00 -1.56 0.00 0.00 34.95 31.47 2guf s ARG 243 CO 0.02 0.21 -0.10 0.15 -0.81 0.00 0.00 175.30 174.78 2guf s LYS 244 N 0.20 1.79 -0.15 5.12 1.02 0.50 -0.71 119.74 127.51 2guf s LYS 244 Ca -0.10 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.47 2guf s LYS 244 Cb -0.14 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 2guf s LYS 244 CO 0.05 -0.29 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.89 2guf s LEU 245 N 1.61 2.61 -0.17 3.17 1.98 -0.23 -0.62 118.68 127.02 2guf s LEU 245 Ca 0.04 -0.41 0.01 0.00 -2.89 0.00 0.00 54.13 50.89 2guf s LEU 245 Cb -0.13 -1.60 0.01 0.00 0.66 0.00 0.00 46.19 45.13 2guf s LEU 245 CO -0.09 0.11 -0.19 -0.31 -1.89 0.00 0.00 176.35 173.98 2guf s TYR 246 N 0.69 2.77 -0.00 5.38 2.02 0.04 -0.30 117.35 127.95 2guf s TYR 246 Ca -0.06 -1.51 0.04 0.00 -0.37 0.00 0.00 57.07 55.16 2guf s TYR 246 Cb -0.15 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2guf s TYR 246 CO 0.02 -0.73 -0.12 0.45 -1.57 0.00 0.00 175.55 173.60 2guf s SER 247 N 1.17 1.37 0.02 2.29 0.15 -0.34 -0.55 113.70 117.82 2guf s SER 247 Ca 0.02 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.43 2guf s SER 247 Cb -0.14 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 2guf s SER 247 CO -0.09 0.12 -0.04 -1.10 1.20 0.00 0.00 173.24 173.32 2guf s GLN 248 N -0.42 0.36 -0.11 5.44 -0.21 0.46 -0.84 119.66 124.35 2guf s GLN 248 Ca 0.04 -0.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.75 2guf s GLN 248 Cb -0.05 -0.01 0.05 0.00 1.00 0.00 0.00 33.01 34.00 2guf s GLN 248 CO -0.00 -0.02 0.24 0.45 -2.12 0.00 0.00 175.29 173.84 2guf s SER 249 N -1.42 -0.14 -0.03 5.90 0.15 0.94 0.11 113.70 119.20 2guf s SER 249 Ca -0.14 0.52 0.06 0.00 0.70 0.00 0.00 55.95 57.09 2guf s SER 249 Cb -0.10 0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2guf s SER 249 CO -0.01 -0.18 -0.22 0.26 1.20 0.00 0.00 173.24 174.30 2guf s TRP 250 N 1.44 2.06 0.02 3.44 0.52 0.25 -0.82 118.94 125.85 2guf s TRP 250 Ca -0.08 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.57 2guf s TRP 250 Cb -0.11 -1.34 -0.01 0.00 -1.15 0.00 0.00 33.47 30.86 2guf s TRP 250 CO -0.08 -0.11 -0.05 -0.51 0.02 0.00 0.00 176.95 176.22 2guf s ASP 251 N -0.32 0.48 -0.01 2.95 1.11 0.76 -0.28 116.67 121.36 2guf s ASP 251 Ca 0.03 -0.33 -0.03 0.00 0.18 0.00 0.00 52.55 52.40 2guf s ASP 251 Cb -0.10 0.02 -0.00 0.00 1.07 0.00 0.00 42.92 43.91 2guf s ASP 251 CO 0.01 -0.13 0.06 0.00 1.18 0.00 0.00 175.17 176.29 2guf s ALA 252 N -0.85 -0.12 0.07 5.23 0.00 0.01 -0.62 121.76 125.47 2guf s ALA 252 Ca -0.07 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 2guf s ALA 252 Cb -0.06 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.10 2guf s ALA 252 CO -0.00 -0.10 0.47 0.20 0.00 0.00 0.00 175.76 176.33 2guf s GLY 253 N -0.63 -0.36 0.00 0.00 0.00 0.45 -0.29 107.32 106.49 2guf s GLY 253 Ca -0.07 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.08 2guf s GLY 253 CO 0.00 0.09 -0.16 1.08 0.00 0.00 0.00 173.10 174.11 2guf s LEU 254 N -2.20 2.07 0.00 0.66 1.43 0.89 -1.21 118.68 120.31 2guf s LEU 254 Ca -0.03 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2guf s LEU 254 Cb -0.00 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.40 2guf s LEU 254 CO -0.05 0.17 -0.01 -0.13 0.23 0.00 0.00 176.35 176.56 2guf s ARG 255 N -0.57 0.12 -0.16 1.70 0.52 0.16 -0.50 118.95 120.23 2guf s ARG 255 Ca 0.06 -0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.20 2guf s ARG 255 Cb -0.07 -0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.32 2guf s ARG 255 CO -0.00 0.02 -0.19 -0.47 0.02 0.00 0.00 175.30 174.69 2guf s TYR 256 N -0.11 2.74 -0.44 -0.53 5.04 -0.31 -0.17 117.35 123.57 2guf s TYR 256 Ca -0.00 -1.28 0.03 0.00 -2.44 0.00 0.00 57.07 53.38 2guf s TYR 256 Cb -0.01 -1.87 0.12 0.00 0.35 0.00 0.00 41.96 40.55 2guf s TYR 256 CO -0.00 -0.60 0.17 -0.80 -1.34 0.00 0.00 175.55 172.98 2guf s ASN 257 N 0.92 4.64 0.71 4.32 -0.87 0.10 -1.36 114.94 123.41 2guf s ASN 257 Ca -0.04 -2.55 -0.00 0.00 -1.57 0.00 0.00 52.86 48.70 2guf s ASN 257 Cb -0.15 -1.66 0.13 0.00 -0.02 0.00 0.00 41.25 39.55 2guf s ASN 257 CO -0.03 -0.33 0.93 0.61 -2.57 0.00 0.00 177.10 175.71 2guf n GLY 258 N 3.75 0.66 0.19 0.66 0.00 0.11 -4.45 105.19 106.11 2guf n GLY 258 Ca 0.04 -2.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 2guf n GLY 258 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2guf h GLU 259 N 0.00 0.18 0.00 1.61 4.81 -2.01 -3.38 114.58 115.79 2guf h GLU 259 Ca -0.31 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2guf h GLU 259 Cb 1.14 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2guf h GLU 259 CO 0.33 0.12 -1.12 1.28 -0.73 0.00 0.00 179.01 178.89 2guf n LEU 260 N -5.15 2.19 -4.80 1.64 4.32 -1.26 -4.90 117.00 109.03 2guf n LEU 260 Ca 0.05 -0.01 -0.37 0.00 -0.02 0.00 0.00 56.01 55.67 2guf n LEU 260 Cb 0.24 -0.04 -0.07 0.00 -1.62 0.00 0.00 43.42 41.93 2guf n LEU 260 CO 0.19 0.40 -0.09 -0.63 -1.22 0.00 0.00 177.39 176.04 2guf s ILE 261 N -2.04 5.36 0.03 -0.08 1.01 -1.26 -1.00 121.20 123.22 2guf s ILE 261 Ca -0.02 0.40 0.05 0.00 0.00 0.00 0.00 60.65 61.07 2guf s ILE 261 Cb 0.01 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 2guf s ILE 261 CO 0.05 0.51 -0.13 -0.54 0.00 0.00 0.00 174.94 174.83 2guf s LYS 262 N -0.34 0.92 0.01 2.79 1.02 0.12 0.10 119.74 124.36 2guf s LYS 262 Ca 0.15 -0.71 -0.06 0.00 0.02 0.00 0.00 55.97 55.37 2guf s LYS 262 Cb -0.13 -0.91 -0.00 0.00 -0.52 0.00 0.00 37.83 36.27 2guf s LYS 262 CO 0.04 0.23 0.10 0.45 -0.92 0.00 0.00 175.35 175.25 2guf s SER 263 N -1.04 0.09 -0.04 2.83 0.15 -0.46 -0.18 113.70 115.04 2guf s SER 263 Ca 0.01 -0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.30 2guf s SER 263 Cb -0.07 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 2guf s SER 263 CO 0.01 -0.39 0.13 0.00 1.20 0.00 0.00 173.24 174.19 2guf s GLN 264 N -1.64 0.19 -0.11 5.44 -2.07 0.10 -1.17 119.66 120.41 2guf s GLN 264 Ca -0.13 0.12 0.01 0.00 -1.82 0.00 0.00 55.36 53.54 2guf s GLN 264 Cb -0.07 0.09 0.02 0.00 -1.09 0.00 0.00 33.01 31.96 2guf s GLN 264 CO -0.00 -0.03 -0.14 -1.17 -1.32 0.00 0.00 175.29 172.63 2guf s LEU 265 N -0.10 1.66 -0.05 2.60 0.20 0.35 -1.09 118.68 122.26 2guf s LEU 265 Ca -0.02 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.41 2guf s LEU 265 Cb -0.02 -1.06 0.01 0.00 -0.43 0.00 0.00 46.19 44.69 2guf s LEU 265 CO 0.00 -0.00 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.32 2guf s ILE 266 N 1.09 1.02 -0.00 6.68 1.01 -0.43 -0.08 121.20 130.49 2guf s ILE 266 Ca -0.05 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.23 2guf s ILE 266 Cb -0.14 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2guf s ILE 266 CO -0.03 0.32 -0.26 0.42 0.00 0.00 0.00 174.94 175.39 2guf s THR 267 N 0.42 2.12 0.05 2.92 -4.23 0.60 -0.99 115.64 116.52 2guf s THR 267 Ca -0.09 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 2guf s THR 267 Cb -0.13 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 2guf s THR 267 CO 0.02 0.52 -0.05 -0.44 -0.54 0.00 0.00 174.62 174.13 2guf s SER 268 N -0.79 0.65 -0.10 3.99 0.01 -0.63 -0.81 113.70 116.02 2guf s SER 268 Ca 0.11 -0.72 -0.06 0.00 1.31 0.00 0.00 55.95 56.59 2guf s SER 268 Cb -0.10 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.27 2guf s SER 268 CO -0.00 -0.37 0.24 -0.47 0.41 0.00 0.00 173.24 173.06 2guf s TYR 269 N -2.36 -0.32 0.05 2.43 5.04 0.61 -1.24 117.35 121.56 2guf s TYR 269 Ca -0.04 0.76 0.04 0.00 -2.44 0.00 0.00 57.07 55.39 2guf s TYR 269 Cb -0.03 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.30 2guf s TYR 269 CO -0.03 -0.22 -0.12 -1.54 -1.34 0.00 0.00 175.55 172.30 2guf s SER 270 N 1.10 1.45 -0.07 4.32 1.04 -0.36 0.86 113.70 122.03 2guf s SER 270 Ca -0.08 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 2guf s SER 270 Cb -0.09 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.00 2guf s SER 270 CO -0.07 -0.05 0.18 -2.28 0.98 0.00 0.00 173.24 172.00 2guf s HIS 271 N -1.04 -0.21 0.01 5.02 2.46 0.12 -1.56 115.29 120.09 2guf s HIS 271 Ca -0.02 0.54 0.01 0.00 0.47 0.00 0.00 55.06 56.06 2guf s HIS 271 Cb -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 32.58 32.35 2guf s HIS 271 CO 0.01 -0.15 -0.04 -1.54 -2.47 0.00 0.00 174.74 170.55 2guf s SER 272 N 0.79 0.48 -0.16 9.88 1.04 -0.16 -0.40 113.70 125.16 2guf s SER 272 Ca -0.06 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.09 2guf s SER 272 Cb -0.07 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2guf s SER 272 CO -0.04 -0.10 -0.14 -0.54 0.98 0.00 0.00 173.24 173.41 2guf s LYS 273 N -0.76 3.27 -0.21 4.02 1.02 0.28 -0.83 119.74 126.53 2guf s LYS 273 Ca -0.05 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.22 2guf s LYS 273 Cb -0.05 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.64 2guf s LYS 273 CO -0.00 0.04 -0.07 0.34 -0.92 0.00 0.00 175.35 174.74 2guf s ASP 274 N 0.77 3.59 -0.17 2.83 -1.08 -0.01 -0.78 116.67 121.83 2guf s ASP 274 Ca -0.05 -1.02 -0.06 0.00 -0.52 0.00 0.00 52.55 50.90 2guf s ASP 274 Cb -0.15 -1.18 -0.03 0.00 -1.46 0.00 0.00 42.92 40.09 2guf s ASP 274 CO 0.01 -0.19 0.02 -0.31 0.52 0.00 0.00 175.17 175.21 2guf s TYR 275 N 1.41 3.14 -0.08 -5.34 1.51 0.21 -0.62 117.35 117.57 2guf s TYR 275 Ca -0.04 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 2guf s TYR 275 Cb -0.18 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2guf s TYR 275 CO -0.07 0.04 -0.06 -0.80 -1.11 0.00 0.00 175.55 173.55 2guf s ASN 276 N 0.42 1.78 0.20 2.29 0.01 -0.60 -0.37 114.94 118.67 2guf s ASN 276 Ca -0.00 -0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 51.72 2guf s ASN 276 Cb -0.13 -0.69 0.04 0.00 0.41 0.00 0.00 41.25 40.87 2guf s ASN 276 CO 0.02 -0.09 0.59 -0.72 -1.51 0.00 0.00 177.10 175.38 2guf s TYR 277 N 1.44 -0.28 -0.25 2.20 1.13 -0.26 -0.76 117.35 120.58 2guf s TYR 277 Ca -0.01 -0.05 -0.25 0.00 -1.41 0.00 0.00 57.07 55.35 2guf s TYR 277 Cb -0.13 0.51 -0.00 0.00 -1.10 0.00 0.00 41.96 41.24 2guf s TYR 277 CO -0.04 -0.96 0.88 0.34 -2.51 0.00 0.00 175.55 173.26 2guf s ASP 278 N -2.84 6.88 0.00 -0.18 -1.08 -1.26 -0.48 116.67 117.71 2guf s ASP 278 Ca 0.07 1.08 0.10 0.00 -0.52 0.00 0.00 52.55 53.27 2guf s ASP 278 Cb -0.02 -2.46 0.43 0.00 -1.46 0.00 0.00 42.92 39.41 2guf s ASP 278 CO -0.04 -0.57 1.32 -0.81 0.52 0.00 0.00 175.17 175.59 2guf n PRO 279 N 6.11 0.00 0.22 4.34 -0.04 -1.26 -0.53 135.00 143.84 2guf n PRO 279 Ca 0.07 0.33 0.15 0.00 -0.04 0.00 0.00 63.50 64.01 2guf n PRO 279 Cb 0.47 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.08 2guf n PRO 279 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2guf h HIS 280 N 0.00 0.00 0.00 0.54 3.86 -2.04 -3.34 115.15 114.17 2guf h HIS 280 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2guf h HIS 280 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2guf h HIS 280 CO 0.00 0.00 -0.65 0.66 0.86 0.00 0.00 177.93 178.80 2guf n TYR 281 N -2.70 0.00 0.00 2.45 4.02 0.31 -5.15 117.16 116.09 2guf n TYR 281 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2guf n TYR 281 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 2guf n TYR 281 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2guf n GLY 282 N 2.09 0.11 0.14 2.72 0.00 -0.10 -4.37 105.19 105.78 2guf n GLY 282 Ca 0.00 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.15 2guf n GLY 282 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2guf h ARG 283 N 0.00 0.00 -0.02 1.61 0.11 -1.95 -2.17 114.38 111.96 2guf h ARG 283 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2guf h ARG 283 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2guf h ARG 283 CO 0.00 0.00 -0.17 0.66 0.10 0.00 0.00 179.97 180.56 2guf n TYR 284 N -2.37 0.00 -1.60 4.08 4.02 -1.26 -4.68 117.16 115.35 2guf n TYR 284 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.56 2guf n TYR 284 Cb 0.32 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.71 2guf n TYR 284 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2guf n ASP 285 N 0.86 1.54 0.27 7.72 2.03 -0.81 -4.85 116.55 123.31 2guf n ASP 285 Ca 0.12 0.78 0.17 0.00 0.52 0.00 0.00 54.79 56.38 2guf n ASP 285 Cb 0.55 -1.50 0.92 0.00 -0.72 0.00 0.00 41.12 40.37 2guf n ASP 285 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2guf h SER 286 N 0.27 0.00 -0.07 1.67 4.64 -1.94 -1.19 113.55 116.93 2guf h SER 286 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2guf h SER 286 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2guf h SER 286 CO 0.51 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.93 2guf n SER 287 N -3.67 3.00 -4.74 4.97 3.41 -1.26 -4.91 113.62 110.42 2guf n SER 287 Ca -0.01 -1.97 -0.32 0.00 -0.26 0.00 0.00 58.87 56.31 2guf n SER 287 Cb 0.19 -0.03 0.10 0.00 -0.26 0.00 0.00 64.21 64.21 2guf n SER 287 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2guf s ALA 288 N -1.87 2.09 0.10 7.33 0.00 -0.45 -4.93 121.76 124.03 2guf s ALA 288 Ca 0.28 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2guf s ALA 288 Cb 0.20 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2guf s ALA 288 CO 0.29 -1.91 -0.15 0.95 0.00 0.00 0.00 175.76 174.94 2guf s THR 289 N -2.48 1.31 -0.06 0.00 -4.23 0.06 -4.91 115.64 105.33 2guf s THR 289 Ca 0.67 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2guf s THR 289 Cb -0.22 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.29 2guf s THR 289 CO 0.50 -0.28 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.05 2guf s LEU 290 N -2.09 1.06 -0.18 4.79 2.96 -1.26 -1.56 118.68 122.40 2guf s LEU 290 Ca 0.04 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 2guf s LEU 290 Cb -0.08 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.17 2guf s LEU 290 CO 0.03 -0.11 -0.15 -1.81 -1.32 0.00 0.00 176.35 172.99 2guf s ASP 291 N 1.32 3.51 -0.21 3.68 1.01 0.21 -2.27 116.67 123.93 2guf s ASP 291 Ca -0.05 -0.55 -0.09 0.00 0.71 0.00 0.00 52.55 52.57 2guf s ASP 291 Cb -0.13 -1.56 -0.05 0.00 1.01 0.00 0.00 42.92 42.19 2guf s ASP 291 CO -0.02 0.01 0.12 -0.70 0.21 0.00 0.00 175.17 174.79 2guf s GLU 292 N 1.24 4.08 0.05 8.23 2.12 0.27 -0.83 118.70 133.87 2guf s GLU 292 Ca 0.03 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.16 2guf s GLU 292 Cb -0.14 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 2guf s GLU 292 CO -0.08 0.22 -0.22 -1.64 -0.54 0.00 0.00 175.26 173.00 2guf s MET 293 N 0.58 1.44 0.08 4.30 -1.94 -0.01 -0.71 119.30 123.04 2guf s MET 293 Ca 0.06 -0.99 0.03 0.00 -1.71 0.00 0.00 55.69 53.08 2guf s MET 293 Cb -0.12 -1.58 -0.03 0.00 2.01 0.00 0.00 34.83 35.11 2guf s MET 293 CO 0.00 0.40 -0.08 0.15 -0.01 0.00 0.00 175.02 175.48 2guf s LYS 294 N -1.24 0.74 -0.05 2.03 1.02 -0.52 -0.99 119.74 120.73 2guf s LYS 294 Ca 0.08 -1.08 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 2guf s LYS 294 Cb -0.09 -0.36 0.03 0.00 -0.52 0.00 0.00 37.83 36.90 2guf s LYS 294 CO 0.02 0.04 0.09 -1.14 -0.92 0.00 0.00 175.35 173.44 2guf s GLN 295 N -2.71 -0.01 -0.04 1.68 0.74 -0.60 -0.35 119.66 118.38 2guf s GLN 295 Ca 0.02 0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.82 2guf s GLN 295 Cb -0.03 -0.30 -0.02 0.00 1.10 0.00 0.00 33.01 33.76 2guf s GLN 295 CO -0.01 -0.23 -0.18 0.71 -0.55 0.00 0.00 175.29 175.03 2guf s TYR 296 N 1.56 2.58 -0.01 1.67 1.51 0.15 -1.23 117.35 123.58 2guf s TYR 296 Ca -0.04 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2guf s TYR 296 Cb -0.12 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2guf s TYR 296 CO -0.04 0.12 -0.07 0.99 -1.11 0.00 0.00 175.55 175.43 2guf s THR 297 N -0.70 0.57 -0.10 -0.71 2.01 -0.37 -0.95 115.64 115.38 2guf s THR 297 Ca 0.11 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2guf s THR 297 Cb -0.10 -0.48 0.02 0.00 0.01 0.00 0.00 72.50 71.94 2guf s THR 297 CO 0.00 0.16 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.31 2guf s VAL 298 N -0.11 1.11 -0.03 3.82 1.01 0.16 -1.61 120.40 124.75 2guf s VAL 298 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2guf s VAL 298 Cb -0.03 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.28 2guf s VAL 298 CO -0.00 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.42 2guf s GLN 299 N 1.34 0.70 -0.09 2.72 -2.07 -0.17 -0.68 119.66 121.42 2guf s GLN 299 Ca -0.01 -0.16 0.01 0.00 -1.82 0.00 0.00 55.36 53.38 2guf s GLN 299 Cb -0.14 -0.70 0.02 0.00 -1.09 0.00 0.00 33.01 31.10 2guf s GLN 299 CO -0.05 0.01 -0.12 -0.46 -1.32 0.00 0.00 175.29 173.35 2guf s TRP 300 N 0.48 1.66 -0.00 9.60 -0.00 0.10 -1.32 118.94 129.46 2guf s TRP 300 Ca -0.06 -0.74 0.03 0.00 -0.00 0.00 0.00 56.10 55.33 2guf s TRP 300 Cb -0.10 -1.24 -0.01 0.00 -0.00 0.00 0.00 33.47 32.12 2guf s TRP 300 CO 0.00 -0.41 -0.09 0.00 -0.00 0.00 0.00 176.95 176.44 2guf s ALA 301 N 1.05 0.78 0.06 5.86 0.00 -0.25 -0.65 121.76 128.62 2guf s ALA 301 Ca -0.07 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2guf s ALA 301 Cb -0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2guf s ALA 301 CO -0.01 0.18 -0.10 -0.80 0.00 0.00 0.00 175.76 175.03 2guf s ASN 302 N -0.31 1.22 -0.13 0.00 0.01 0.72 -0.72 114.94 115.72 2guf s ASN 302 Ca 0.03 -0.64 -0.16 0.00 -0.71 0.00 0.00 52.86 51.38 2guf s ASN 302 Cb -0.04 0.01 0.04 0.00 0.41 0.00 0.00 41.25 41.67 2guf s ASN 302 CO -0.00 -0.19 0.44 0.21 -1.51 0.00 0.00 177.10 176.04 2guf s ASN 303 N -1.86 -0.43 0.01 -1.22 2.47 0.75 -0.92 114.94 113.74 2guf s ASN 303 Ca -0.04 0.73 0.01 0.00 0.42 0.00 0.00 52.86 53.99 2guf s ASN 303 Cb -0.08 0.77 -0.01 0.00 -1.45 0.00 0.00 41.25 40.49 2guf s ASN 303 CO 0.01 -0.24 -0.03 0.54 -3.72 0.00 0.00 177.10 173.65 2guf s VAL 304 N -0.15 0.24 -0.22 -5.21 0.11 -0.09 0.13 120.40 115.20 2guf s VAL 304 Ca -0.03 -0.39 -0.27 0.00 -2.93 0.00 0.00 61.98 58.35 2guf s VAL 304 Cb -0.03 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2guf s VAL 304 CO 0.02 -0.10 0.96 -0.63 -3.33 0.00 0.00 175.10 172.01 2guf s ILE 305 N -0.50 4.75 -0.06 7.04 1.01 -0.17 -1.63 121.20 131.65 2guf s ILE 305 Ca -0.04 1.86 -0.09 0.00 0.00 0.00 0.00 60.65 62.38 2guf s ILE 305 Cb -0.04 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.21 2guf s ILE 305 CO -0.00 -0.13 0.23 0.54 0.00 0.00 0.00 174.94 175.59 2guf s VAL 306 N 2.97 0.03 0.00 2.92 0.11 -0.72 -4.91 120.40 120.80 2guf s VAL 306 Ca 0.41 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2guf s VAL 306 Cb -0.15 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 2guf s VAL 306 CO 0.07 -0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 2guf n GLY 307 N 2.33 2.76 2.72 6.54 0.00 -1.26 -2.51 105.19 115.76 2guf n GLY 307 Ca -0.16 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2guf n GLY 307 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2guf n HIS 308 N 14.00 2.99 0.00 1.61 -0.00 -1.26 -4.94 115.22 127.62 2guf n HIS 308 Ca 0.00 -3.36 0.00 0.00 -0.00 0.00 0.00 57.72 54.36 2guf n HIS 308 Cb 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 29.99 29.09 2guf n HIS 308 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2guf n GLY 309 N 0.96 -0.42 3.50 -1.41 0.00 -1.05 -0.07 105.19 106.69 2guf n GLY 309 Ca 0.29 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2guf n GLY 309 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2guf s SER 310 N -4.00 -0.19 0.15 1.61 1.04 -0.33 -1.75 113.70 110.22 2guf s SER 310 Ca 0.00 -0.59 0.06 0.00 0.48 0.00 0.00 55.95 55.90 2guf s SER 310 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2guf s SER 310 CO 0.00 -1.03 -0.12 0.27 0.98 0.00 0.00 173.24 173.33 2guf s ILE 311 N -3.90 1.33 0.10 -1.02 -4.36 -0.64 -0.57 121.20 112.13 2guf s ILE 311 Ca 0.11 -1.93 -0.16 0.00 -0.26 0.00 0.00 60.65 58.41 2guf s ILE 311 Cb -0.00 -1.74 0.03 0.00 1.25 0.00 0.00 42.46 42.01 2guf s ILE 311 CO -0.01 -0.58 0.39 -0.83 0.24 0.00 0.00 174.94 174.15 2guf s GLY 312 N -2.88 -0.25 0.16 6.27 0.00 -0.02 -0.92 107.32 109.68 2guf s GLY 312 Ca 0.14 0.04 -0.15 0.00 0.00 0.00 0.00 44.72 44.75 2guf s GLY 312 CO 0.03 -0.22 0.43 0.00 0.00 0.00 0.00 173.10 173.34 2guf s ALA 313 N -3.35 -0.76 0.07 3.20 0.00 -0.10 -0.70 121.76 120.12 2guf s ALA 313 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2guf s ALA 313 Cb 0.01 0.79 0.09 0.00 0.00 0.00 0.00 23.12 24.01 2guf s ALA 313 CO -0.09 -0.72 0.75 0.20 0.00 0.00 0.00 175.76 175.91 2guf s GLY 314 N -2.87 -0.54 0.02 0.00 0.00 -0.68 -0.20 107.32 103.05 2guf s GLY 314 Ca 0.08 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.61 2guf s GLY 314 CO -0.06 0.28 -0.06 0.54 0.00 0.00 0.00 173.10 173.81 2guf s VAL 315 N -3.34 0.39 0.10 1.40 0.11 0.18 -1.45 120.40 117.79 2guf s VAL 315 Ca 0.03 -0.70 -0.09 0.00 -2.93 0.00 0.00 61.98 58.28 2guf s VAL 315 Cb -0.01 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 2guf s VAL 315 CO -0.10 -0.22 0.22 1.51 -3.33 0.00 0.00 175.10 173.18 2guf s ASP 316 N -0.99 0.08 0.00 3.54 -4.77 -0.39 -0.72 116.67 113.42 2guf s ASP 316 Ca -0.06 -0.65 0.02 0.00 -3.30 0.00 0.00 52.55 48.55 2guf s ASP 316 Cb -0.07 0.36 -0.01 0.00 -1.09 0.00 0.00 42.92 42.12 2guf s ASP 316 CO -0.00 -0.76 -0.06 0.86 0.70 0.00 0.00 175.17 175.91 2guf s TRP 317 N -3.87 0.49 -0.07 2.11 -0.00 0.14 -0.82 118.94 116.92 2guf s TRP 317 Ca 0.06 -0.16 -0.11 0.00 -0.00 0.00 0.00 56.10 55.89 2guf s TRP 317 Cb 0.04 -0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.22 2guf s TRP 317 CO -0.10 -0.02 0.27 -1.14 -0.00 0.00 0.00 176.95 175.96 2guf s GLN 318 N -0.39 0.43 -0.01 5.86 0.74 0.18 -0.66 119.66 125.80 2guf s GLN 318 Ca -0.00 0.15 -0.01 0.00 0.05 0.00 0.00 55.36 55.55 2guf s GLN 318 Cb -0.03 0.20 0.01 0.00 1.10 0.00 0.00 33.01 34.28 2guf s GLN 318 CO -0.00 -0.08 0.03 0.21 -0.55 0.00 0.00 175.29 174.90 2guf s LYS 319 N -0.39 0.02 -0.01 1.67 2.20 -0.13 -0.33 119.74 122.77 2guf s LYS 319 Ca -0.05 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.71 2guf s LYS 319 Cb -0.03 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 2guf s LYS 319 CO 0.01 -0.03 -0.26 -0.65 -0.36 0.00 0.00 175.35 174.06 2guf s GLN 320 N 0.21 2.05 0.09 4.03 -0.21 -0.03 -0.67 119.66 125.13 2guf s GLN 320 Ca -0.02 -0.95 0.04 0.00 0.02 0.00 0.00 55.36 54.46 2guf s GLN 320 Cb -0.02 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 2guf s GLN 320 CO -0.01 0.55 -0.11 0.95 -2.12 0.00 0.00 175.29 174.56 2guf s THR 321 N -0.63 0.94 0.00 -0.19 -4.23 0.52 -0.98 115.64 111.07 2guf s THR 321 Ca 0.10 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2guf s THR 321 Cb -0.10 -1.25 -0.00 0.00 1.34 0.00 0.00 72.50 72.49 2guf s THR 321 CO -0.01 -0.49 -0.02 0.28 -0.54 0.00 0.00 174.62 173.85 2guf s THR 322 N -2.17 0.12 -0.05 3.99 -1.32 -0.55 -1.44 115.64 114.22 2guf s THR 322 Ca 0.03 -0.16 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 2guf s THR 322 Cb -0.05 -0.13 0.02 0.00 -1.51 0.00 0.00 72.50 70.84 2guf s THR 322 CO 0.00 -0.03 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.46 2guf s THR 323 N -0.19 0.51 0.00 5.08 2.01 0.12 -0.61 115.64 122.55 2guf s THR 323 Ca -0.01 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2guf s THR 323 Cb -0.02 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2guf s THR 323 CO -0.00 0.23 0.00 -0.81 -0.69 0.00 0.00 174.62 173.35 2guf n PRO 324 N 4.27 3.79 -0.43 4.92 -0.04 -1.26 -0.56 135.00 145.69 2guf n PRO 324 Ca -0.21 0.00 0.37 0.00 -0.04 0.00 0.00 63.50 63.62 2guf n PRO 324 Cb 0.51 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.61 2guf n PRO 324 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2guf h GLY 325 N 0.00 1.54 0.66 0.55 0.00 -1.85 -3.25 103.07 100.72 2guf h GLY 325 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 47.33 46.91 2guf h GLY 325 CO 0.00 -0.51 -1.57 -0.91 0.00 0.00 0.00 176.54 173.55 2guf h THR 326 N 0.05 0.96 0.00 4.70 1.35 -1.86 -3.45 112.91 114.65 2guf h THR 326 Ca 0.85 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 2guf h THR 326 Cb 2.60 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 71.72 2guf h THR 326 CO -0.51 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2guf n GLY 327 N 1.80 0.60 3.61 5.82 0.00 -1.23 -5.06 105.19 110.73 2guf n GLY 327 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2guf n GLY 327 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2guf s TYR 328 N -2.16 3.19 -0.13 1.61 1.51 -1.26 -4.93 117.35 115.18 2guf s TYR 328 Ca 0.00 0.76 0.27 0.00 -1.01 0.00 0.00 57.07 57.09 2guf s TYR 328 Cb 0.00 -3.24 1.31 0.00 -0.11 0.00 0.00 41.96 39.92 2guf s TYR 328 CO 0.00 -0.59 1.81 0.28 -1.11 0.00 0.00 175.55 175.94 2guf h VAL 329 N 5.62 0.00 0.00 0.71 2.07 -1.97 -0.34 116.25 122.35 2guf h VAL 329 Ca -0.24 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2guf h VAL 329 Cb 1.10 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2guf h VAL 329 CO 0.89 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 178.07 2guf h GLU 330 N 0.00 0.00 -0.00 1.57 3.07 -1.98 -1.34 114.58 115.90 2guf h GLU 330 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2guf h GLU 330 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2guf h GLU 330 CO 0.00 0.08 -0.18 -0.25 -1.40 0.00 0.00 179.01 177.26 2guf n ASP 331 N -3.36 0.34 0.00 1.42 8.00 -0.14 -4.94 116.55 117.88 2guf n ASP 331 Ca -0.01 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2guf n ASP 331 Cb 0.25 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2guf n ASP 331 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2guf n GLY 332 N 1.40 5.77 3.11 0.44 0.00 -0.51 -4.52 105.19 110.89 2guf n GLY 332 Ca 0.10 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 2guf n GLY 332 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2guf s TYR 333 N 1.52 0.52 0.09 1.61 1.51 0.22 -4.99 117.35 117.82 2guf s TYR 333 Ca 0.00 -1.03 -0.15 0.00 -1.01 0.00 0.00 57.07 54.87 2guf s TYR 333 Cb 0.00 -0.36 0.03 0.00 -0.11 0.00 0.00 41.96 41.52 2guf s TYR 333 CO 0.00 -0.42 0.37 0.16 -1.11 0.00 0.00 175.55 174.55 2guf s ASP 334 N -2.93 -0.19 0.01 2.29 1.47 -1.26 -1.49 116.67 114.57 2guf s ASP 334 Ca 0.09 -0.26 0.01 0.00 1.18 0.00 0.00 52.55 53.57 2guf s ASP 334 Cb 0.08 0.43 -0.01 0.00 -0.34 0.00 0.00 42.92 43.08 2guf s ASP 334 CO -0.09 -0.76 -0.05 -1.10 0.68 0.00 0.00 175.17 173.85 2guf s GLN 335 N -3.34 0.36 0.16 2.11 -0.21 -0.15 -4.94 119.66 113.64 2guf s GLN 335 Ca 0.00 -0.36 0.07 0.00 0.02 0.00 0.00 55.36 55.09 2guf s GLN 335 Cb 0.01 -0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.75 2guf s GLN 335 CO -0.09 0.05 -0.15 1.03 -2.12 0.00 0.00 175.29 174.02 2guf s ARG 336 N -0.67 1.17 -0.15 2.91 3.00 -1.26 -0.85 118.95 123.10 2guf s ARG 336 Ca -0.04 -1.40 -0.13 0.00 0.00 0.00 0.00 55.73 54.17 2guf s ARG 336 Cb -0.05 -1.04 0.04 0.00 0.00 0.00 0.00 34.95 33.91 2guf s ARG 336 CO -0.00 0.19 0.40 1.21 0.00 0.00 0.00 175.30 177.10 2guf s ASN 337 N -2.81 -0.44 -0.10 0.23 2.47 0.56 -0.37 114.94 114.47 2guf s ASN 337 Ca 0.15 0.83 0.04 0.00 0.42 0.00 0.00 52.86 54.29 2guf s ASN 337 Cb -0.03 0.80 -0.00 0.00 -1.45 0.00 0.00 41.25 40.57 2guf s ASN 337 CO 0.05 -0.15 -0.23 -0.89 -3.72 0.00 0.00 177.10 172.15 2guf s THR 338 N 0.55 2.12 0.16 -5.21 2.01 -0.60 -0.64 115.64 114.02 2guf s THR 338 Ca -0.03 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.00 2guf s THR 338 Cb -0.04 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 2guf s THR 338 CO -0.03 0.56 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.60 2guf s GLY 339 N 0.37 1.12 0.00 4.40 0.00 -0.00 0.75 107.32 113.97 2guf s GLY 339 Ca -0.18 -1.54 -0.00 0.00 0.00 0.00 0.00 44.72 43.00 2guf s GLY 339 CO 0.08 -1.53 0.00 -1.50 0.00 0.00 0.00 173.10 170.15 2guf s ILE 340 N -3.58 0.03 0.06 0.90 2.07 -0.54 -1.27 121.20 118.87 2guf s ILE 340 Ca 0.20 -0.21 -0.10 0.00 -1.41 0.00 0.00 60.65 59.13 2guf s ILE 340 Cb 0.05 -0.08 0.01 0.00 0.13 0.00 0.00 42.46 42.56 2guf s ILE 340 CO 0.02 -0.12 0.21 -0.72 -1.91 0.00 0.00 174.94 172.43 2guf s TYR 341 N -0.34 0.06 0.00 3.50 -0.85 -0.53 -1.06 117.35 118.13 2guf s TYR 341 Ca -0.04 -0.35 0.05 0.00 -0.52 0.00 0.00 57.07 56.22 2guf s TYR 341 Cb -0.02 -0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 2guf s TYR 341 CO -0.00 -0.49 -0.17 -1.17 -1.52 0.00 0.00 175.55 172.20 2guf s LEU 342 N -2.39 2.07 0.05 -3.49 2.96 0.65 -1.69 118.68 116.84 2guf s LEU 342 Ca -0.01 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2guf s LEU 342 Cb 0.01 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 2guf s LEU 342 CO -0.07 0.17 -0.10 0.42 -1.32 0.00 0.00 176.35 175.45 2guf s THR 343 N -0.50 0.75 -0.02 3.68 -4.23 0.13 -0.91 115.64 114.53 2guf s THR 343 Ca 0.06 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.33 2guf s THR 343 Cb -0.07 -0.78 0.01 0.00 1.34 0.00 0.00 72.50 73.00 2guf s THR 343 CO -0.00 -0.32 0.18 -0.83 -0.54 0.00 0.00 174.62 173.11 2guf s GLY 344 N -1.63 -0.04 -0.04 3.99 0.00 -0.32 -0.84 107.32 108.44 2guf s GLY 344 Ca -0.07 0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.78 2guf s GLY 344 CO 0.01 -0.00 -0.03 -2.27 0.00 0.00 0.00 173.10 170.81 2guf s LEU 345 N -0.95 1.20 -0.02 0.66 0.20 0.26 -1.07 118.68 118.96 2guf s LEU 345 Ca -0.10 -0.10 -0.02 0.00 0.69 0.00 0.00 54.13 54.60 2guf s LEU 345 Cb -0.06 -0.40 0.01 0.00 -0.43 0.00 0.00 46.19 45.31 2guf s LEU 345 CO 0.02 -0.08 0.05 -1.10 -0.29 0.00 0.00 176.35 174.95 2guf s GLN 346 N 1.08 0.05 -0.24 1.98 -1.52 0.15 -1.19 119.66 119.98 2guf s GLN 346 Ca -0.09 0.09 -0.08 0.00 -1.95 0.00 0.00 55.36 53.34 2guf s GLN 346 Cb -0.14 0.00 -0.03 0.00 -0.22 0.00 0.00 33.01 32.62 2guf s GLN 346 CO -0.01 -0.02 0.08 -0.65 -0.25 0.00 0.00 175.29 174.43 2guf s GLN 347 N 0.15 3.73 -0.33 2.91 -0.21 0.89 -0.49 119.66 126.31 2guf s GLN 347 Ca -0.01 -0.44 0.04 0.00 0.02 0.00 0.00 55.36 54.97 2guf s GLN 347 Cb -0.02 -3.33 0.10 0.00 1.00 0.00 0.00 33.01 30.76 2guf s GLN 347 CO -0.00 -0.11 0.04 0.14 -2.12 0.00 0.00 175.29 173.24 2guf s VAL 348 N 1.42 2.28 0.00 1.09 -7.23 0.26 -4.60 120.40 113.62 2guf s VAL 348 Ca 0.06 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 2guf s VAL 348 Cb -0.15 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2guf s VAL 348 CO 0.04 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 2guf n GLY 349 N 4.27 4.16 0.50 2.32 0.00 -1.26 -1.82 105.19 113.35 2guf n GLY 349 Ca 0.03 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2guf n GLY 349 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2guf n ASP 350 N 7.88 1.50 -4.73 1.61 8.00 -1.26 -4.85 116.55 124.70 2guf n ASP 350 Ca 0.00 -1.67 -0.33 0.00 0.71 0.00 0.00 54.79 53.49 2guf n ASP 350 Cb 0.00 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 2guf n ASP 350 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2guf s PHE 351 N -1.82 3.18 -0.10 1.24 0.40 -0.76 -0.45 117.98 119.68 2guf s PHE 351 Ca 0.32 0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.83 2guf s PHE 351 Cb 0.17 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.99 2guf s PHE 351 CO 0.26 0.51 -0.20 0.99 0.70 0.00 0.00 175.22 177.47 2guf s THR 352 N -1.11 1.78 -0.03 0.64 2.01 0.00 -0.57 115.64 118.37 2guf s THR 352 Ca 0.20 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2guf s THR 352 Cb -0.12 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 2guf s THR 352 CO 0.11 0.50 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.01 2guf s PHE 353 N 0.55 2.63 -0.06 4.92 0.40 0.36 -0.60 117.98 126.17 2guf s PHE 353 Ca -0.15 -0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 55.91 2guf s PHE 353 Cb -0.17 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.80 2guf s PHE 353 CO 0.05 0.17 0.16 -2.00 0.70 0.00 0.00 175.22 174.31 2guf s GLU 354 N -0.86 0.19 0.15 0.44 2.12 -0.70 -0.67 118.70 119.37 2guf s GLU 354 Ca 0.12 0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.53 2guf s GLU 354 Cb -0.11 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.40 2guf s GLU 354 CO 0.01 -0.02 0.40 0.20 -0.54 0.00 0.00 175.26 175.31 2guf s GLY 355 N 0.09 -0.06 -0.01 -1.50 0.00 -0.23 -0.95 107.32 104.66 2guf s GLY 355 Ca -0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.24 2guf s GLY 355 CO 0.00 -0.42 0.39 0.00 0.00 0.00 0.00 173.10 173.07 2guf s ALA 356 N -3.86 -0.99 -0.02 3.20 0.00 -0.46 -1.18 121.76 118.46 2guf s ALA 356 Ca 0.08 0.50 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 2guf s ALA 356 Cb 0.01 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2guf s ALA 356 CO -0.07 -0.31 0.10 0.00 0.00 0.00 0.00 175.76 175.49 2guf s ALA 357 N -1.48 -0.25 0.02 0.00 0.00 -0.09 -1.08 121.76 118.89 2guf s ALA 357 Ca -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 2guf s ALA 357 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2guf s ALA 357 CO 0.04 -0.12 0.01 0.50 0.00 0.00 0.00 175.76 176.19 2guf s ARG 358 N -0.64 0.36 -0.05 0.00 3.52 -0.11 -0.25 118.95 121.78 2guf s ARG 358 Ca -0.07 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 54.99 2guf s ARG 358 Cb -0.04 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 2guf s ARG 358 CO 0.00 -0.07 -0.13 0.45 -0.81 0.00 0.00 175.30 174.75 2guf s SER 359 N -1.46 1.75 -0.02 -2.12 0.15 -0.22 -1.16 113.70 110.62 2guf s SER 359 Ca -0.16 -0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.28 2guf s SER 359 Cb -0.09 -0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 63.55 2guf s SER 359 CO -0.00 0.07 -0.25 -1.81 1.20 0.00 0.00 173.24 172.45 2guf s ASP 360 N 0.39 2.97 -0.34 5.45 1.11 0.15 -1.46 116.67 124.94 2guf s ASP 360 Ca -0.09 -0.46 -0.04 0.00 0.18 0.00 0.00 52.55 52.14 2guf s ASP 360 Cb -0.13 -0.40 0.06 0.00 1.07 0.00 0.00 42.92 43.51 2guf s ASP 360 CO 0.03 0.30 0.08 -0.62 1.18 0.00 0.00 175.17 176.13 2guf s ASP 361 N -0.53 5.12 -0.21 0.27 -1.08 0.23 -1.87 116.67 118.60 2guf s ASP 361 Ca 0.08 -1.36 -0.11 0.00 -0.52 0.00 0.00 52.55 50.63 2guf s ASP 361 Cb -0.10 -1.79 -0.05 0.00 -1.46 0.00 0.00 42.92 39.51 2guf s ASP 361 CO -0.00 -0.34 0.18 0.21 0.52 0.00 0.00 175.17 175.74 2guf s ASN 362 N 1.43 6.21 0.57 -0.34 2.47 0.11 -1.56 114.94 123.84 2guf s ASN 362 Ca -0.01 0.23 0.27 0.00 0.42 0.00 0.00 52.86 53.76 2guf s ASN 362 Cb -0.20 -2.12 1.69 0.00 -1.45 0.00 0.00 41.25 39.17 2guf s ASN 362 CO -0.00 0.10 2.23 0.77 -3.72 0.00 0.00 177.10 176.47 2guf h SER 363 N 7.10 0.00 0.08 -4.21 4.64 -1.00 0.58 113.55 120.75 2guf h SER 363 Ca -0.39 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.55 2guf h SER 363 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 2guf h SER 363 CO 0.71 0.01 -2.21 1.67 -0.87 0.00 0.00 176.83 176.14 2guf n GLN 364 N -3.98 0.71 -0.09 4.77 -0.06 -1.26 -4.61 117.38 112.86 2guf n GLN 364 Ca -0.03 0.21 0.06 0.00 -2.00 0.00 0.00 57.00 55.24 2guf n GLN 364 Cb 0.09 -1.63 0.10 0.00 -4.06 0.00 0.00 30.24 24.75 2guf n GLN 364 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2guf n PHE 365 N -3.35 0.23 -4.43 3.69 3.01 -1.10 -5.09 117.46 110.42 2guf n PHE 365 Ca -0.37 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 57.85 2guf n PHE 365 Cb 1.03 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 2guf n PHE 365 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2guf n GLY 366 N 0.64 -0.06 3.86 1.37 0.00 0.20 -4.82 105.19 106.37 2guf n GLY 366 Ca 0.10 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 2guf n GLY 366 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2guf s ARG 367 N 0.00 3.57 -0.13 1.61 0.52 -1.26 0.06 118.95 123.31 2guf s ARG 367 Ca 0.00 -0.12 -0.06 0.00 -0.52 0.00 0.00 55.73 55.02 2guf s ARG 367 Cb 0.00 -3.23 0.05 0.00 0.52 0.00 0.00 34.95 32.30 2guf s ARG 367 CO 0.00 0.70 0.30 -1.01 0.02 0.00 0.00 175.30 175.32 2guf s HIS 368 N -0.82 -0.44 0.21 -0.53 3.76 -0.78 -4.97 115.29 111.71 2guf s HIS 368 Ca 0.14 0.99 0.06 0.00 -0.15 0.00 0.00 55.06 56.11 2guf s HIS 368 Cb -0.12 0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.65 2guf s HIS 368 CO 0.03 -0.29 0.13 0.20 -0.85 0.00 0.00 174.74 173.96 2guf s GLY 369 N 1.51 1.60 0.08 -2.22 0.00 -1.26 -0.68 107.32 106.36 2guf s GLY 369 Ca -0.08 -1.35 -0.10 0.00 0.00 0.00 0.00 44.72 43.19 2guf s GLY 369 CO -0.10 -1.38 0.22 -0.51 0.00 0.00 0.00 173.10 171.33 2guf s THR 370 N -1.94 0.13 0.13 0.90 -4.23 -0.31 -4.92 115.64 105.40 2guf s THR 370 Ca 0.31 -1.05 -0.24 0.00 -1.18 0.00 0.00 61.69 59.53 2guf s THR 370 Cb -0.09 -1.25 0.07 0.00 1.34 0.00 0.00 72.50 72.57 2guf s THR 370 CO 0.23 -0.58 0.64 -1.66 -0.54 0.00 0.00 174.62 172.71 2guf s TRP 371 N -3.64 -0.52 0.03 3.99 1.48 -1.25 -0.93 118.94 118.09 2guf s TRP 371 Ca 0.03 0.34 -0.20 0.00 -1.06 0.00 0.00 56.10 55.21 2guf s TRP 371 Cb 0.04 0.55 0.04 0.00 -1.16 0.00 0.00 33.47 32.94 2guf s TRP 371 CO -0.10 -0.80 0.46 1.14 -4.06 0.00 0.00 176.95 173.59 2guf s GLN 372 N -3.58 0.94 -0.01 3.25 -2.07 -0.24 -0.32 119.66 117.63 2guf s GLN 372 Ca 0.01 -0.23 -0.10 0.00 -1.82 0.00 0.00 55.36 53.22 2guf s GLN 372 Cb -0.01 0.43 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2guf s GLN 372 CO -0.12 -0.32 0.21 0.95 -1.32 0.00 0.00 175.29 174.70 2guf s THR 373 N -2.17 0.07 0.06 3.63 -4.23 0.27 -1.35 115.64 111.92 2guf s THR 373 Ca -0.07 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2guf s THR 373 Cb -0.01 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 2guf s THR 373 CO 0.00 -0.31 -0.05 -0.44 -0.54 0.00 0.00 174.62 173.28 2guf s SER 374 N -1.26 0.76 -0.03 3.99 0.01 -0.12 -0.69 113.70 116.35 2guf s SER 374 Ca -0.13 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.33 2guf s SER 374 Cb -0.06 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.30 2guf s SER 374 CO 0.03 -0.41 -0.01 0.00 0.41 0.00 0.00 173.24 173.26 2guf s ALA 375 N -2.78 0.38 -0.05 1.44 0.00 -0.20 -1.72 121.76 118.83 2guf s ALA 375 Ca 0.01 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2guf s ALA 375 Cb -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2guf s ALA 375 CO -0.04 -0.04 -0.07 0.20 0.00 0.00 0.00 175.76 175.80 2guf s GLY 376 N 0.88 1.69 -0.26 0.00 0.00 0.23 -0.88 107.32 108.99 2guf s GLY 376 Ca -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.71 2guf s GLY 376 CO -0.01 -0.73 -0.03 0.86 0.00 0.00 0.00 173.10 173.19 2guf s TRP 377 N -0.85 2.59 -1.09 1.90 -0.00 0.38 -0.82 118.94 121.06 2guf s TRP 377 Ca 0.13 -1.97 -0.22 0.00 -0.00 0.00 0.00 56.10 54.04 2guf s TRP 377 Cb -0.11 -1.80 0.05 0.00 -0.00 0.00 0.00 33.47 31.61 2guf s TRP 377 CO 0.03 -0.82 1.57 -2.00 -0.00 0.00 0.00 176.95 175.73 2guf s GLU 378 N 1.32 3.60 0.44 5.86 2.12 0.40 -1.67 118.70 130.78 2guf s GLU 378 Ca -0.03 -1.30 0.23 0.00 0.36 0.00 0.00 54.97 54.23 2guf s GLU 378 Cb -0.19 -5.39 0.99 0.00 0.26 0.00 0.00 34.13 29.81 2guf s GLU 378 CO -0.08 -2.34 1.87 0.27 -0.54 0.00 0.00 175.26 174.43 2guf h PHE 379 N 9.30 0.00 -3.29 5.30 -5.15 -1.81 -3.44 116.94 117.85 2guf h PHE 379 Ca 0.26 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.93 2guf h PHE 379 Cb 0.97 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 36.96 2guf h PHE 379 CO 1.31 0.24 -0.29 -1.50 -2.00 0.00 0.00 178.31 176.08 2guf s ILE 380 N -3.80 0.08 0.31 0.88 2.07 -1.25 -5.08 121.20 114.41 2guf s ILE 380 Ca -0.01 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.27 2guf s ILE 380 Cb 0.11 -0.84 -0.11 0.00 0.13 0.00 0.00 42.46 41.75 2guf s ILE 380 CO 0.64 -0.37 1.55 -0.70 -1.91 0.00 0.00 174.94 174.15 2guf s GLU 381 N -2.24 4.14 0.00 3.50 2.12 -1.26 -1.52 118.70 123.43 2guf s GLU 381 Ca -0.07 2.54 0.00 0.00 0.36 0.00 0.00 54.97 57.80 2guf s GLU 381 Cb -0.02 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.35 2guf s GLU 381 CO -0.02 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 2guf n GLY 382 N 1.74 1.05 3.11 -1.50 0.00 -1.26 -4.96 105.19 103.37 2guf n GLY 382 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2guf n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2guf s TYR 383 N -2.36 1.51 -0.04 1.61 1.51 -0.58 -1.46 117.35 117.54 2guf s TYR 383 Ca 0.00 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2guf s TYR 383 Cb 0.00 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 2guf s TYR 383 CO 0.00 -0.12 0.14 0.50 -1.11 0.00 0.00 175.55 174.96 2guf s ARG 384 N -0.03 0.27 -0.04 -0.62 3.52 0.74 -2.83 118.95 119.97 2guf s ARG 384 Ca -0.01 0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.60 2guf s ARG 384 Cb -0.10 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 2guf s ARG 384 CO 0.01 -0.05 0.02 -0.06 -0.81 0.00 0.00 175.30 174.41 2guf s PHE 385 N -0.38 3.16 -0.03 5.12 2.99 -0.67 -0.91 117.98 127.26 2guf s PHE 385 Ca -0.05 0.16 0.02 0.00 0.00 0.00 0.00 56.93 57.06 2guf s PHE 385 Cb -0.03 -1.73 0.01 0.00 0.00 0.00 0.00 43.02 41.27 2guf s PHE 385 CO 0.01 0.49 -0.07 0.42 -0.00 0.00 0.00 175.22 176.07 2guf s ILE 386 N -1.03 0.64 -0.07 0.64 1.01 -0.17 -0.47 121.20 121.76 2guf s ILE 386 Ca 0.18 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.64 2guf s ILE 386 Cb -0.12 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 2guf s ILE 386 CO 0.08 0.23 -0.25 0.00 0.00 0.00 0.00 174.94 175.00 2guf s ALA 387 N 0.51 2.16 0.04 9.38 0.00 -0.06 -0.16 121.76 133.64 2guf s ALA 387 Ca -0.07 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2guf s ALA 387 Cb -0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2guf s ALA 387 CO 0.01 0.39 -0.14 -1.12 0.00 0.00 0.00 175.76 174.89 2guf s SER 388 N -0.05 1.66 0.01 0.00 0.01 0.79 -1.03 113.70 115.09 2guf s SER 388 Ca -0.07 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.73 2guf s SER 388 Cb -0.15 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 2guf s SER 388 CO 0.05 0.02 -0.03 -0.47 0.41 0.00 0.00 173.24 173.22 2guf s TYR 389 N -0.89 0.25 -0.05 2.43 5.04 0.13 -1.22 117.35 123.04 2guf s TYR 389 Ca 0.01 -0.23 -0.29 0.00 -2.44 0.00 0.00 57.07 54.12 2guf s TYR 389 Cb -0.08 -0.17 0.10 0.00 0.35 0.00 0.00 41.96 42.16 2guf s TYR 389 CO 0.01 -0.07 0.82 0.20 -1.34 0.00 0.00 175.55 175.17 2guf s GLY 390 N -0.65 -0.46 0.19 8.97 0.00 -0.48 -0.56 107.32 114.33 2guf s GLY 390 Ca -0.05 1.41 0.08 0.00 0.00 0.00 0.00 44.72 46.15 2guf s GLY 390 CO -0.00 0.78 -0.02 -0.51 0.00 0.00 0.00 173.10 173.34 2guf s THR 391 N -1.82 3.55 0.26 0.90 -4.23 0.56 -1.09 115.64 113.78 2guf s THR 391 Ca -0.04 -1.55 -0.19 0.00 -1.18 0.00 0.00 61.69 58.73 2guf s THR 391 Cb -0.00 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 71.05 2guf s THR 391 CO 0.01 -0.15 0.64 -0.94 -0.54 0.00 0.00 174.62 173.64 2guf s SER 392 N -3.03 -0.22 0.23 3.99 1.04 -0.77 -3.84 113.70 111.09 2guf s SER 392 Ca 0.27 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.89 2guf s SER 392 Cb -0.09 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2guf s SER 392 CO 0.18 -1.26 0.49 -0.72 0.98 0.00 0.00 173.24 172.91 2guf s TYR 393 N -3.94 0.21 -0.06 5.02 -0.85 -1.26 -1.27 117.35 115.20 2guf s TYR 393 Ca 0.14 -0.58 -0.01 0.00 -0.52 0.00 0.00 57.07 56.10 2guf s TYR 393 Cb -0.04 0.26 0.03 0.00 0.38 0.00 0.00 41.96 42.58 2guf s TYR 393 CO 0.06 -0.97 0.02 0.21 -1.52 0.00 0.00 175.55 173.35 2guf s LYS 394 N -3.97 0.38 -0.21 -3.49 2.20 -0.35 -0.87 119.74 113.43 2guf s LYS 394 Ca 0.18 0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.80 2guf s LYS 394 Cb -0.01 -0.77 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 2guf s LYS 394 CO 0.05 -0.28 0.42 0.00 -0.36 0.00 0.00 175.35 175.19 2guf s ALA 395 N 1.86 3.56 0.12 3.13 0.00 -1.26 -0.40 121.76 128.77 2guf s ALA 395 Ca 0.02 -0.54 -0.35 0.00 0.00 0.00 0.00 51.96 51.10 2guf s ALA 395 Cb -0.12 -2.69 -0.17 0.00 0.00 0.00 0.00 23.12 20.14 2guf s ALA 395 CO -0.04 -0.38 1.16 -2.30 0.00 0.00 0.00 175.76 174.20 2guf n PRO 396 N 4.67 0.92 -2.74 0.00 -0.02 -1.26 -4.95 135.00 131.61 2guf n PRO 396 Ca -0.07 0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 61.51 2guf n PRO 396 Cb 0.51 -1.84 0.10 0.00 -0.02 0.00 0.00 33.50 32.24 2guf n PRO 396 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2guf s ASN 397 N 0.08 4.55 0.25 2.55 2.20 -1.26 -4.84 114.94 118.47 2guf s ASN 397 Ca 0.79 -0.56 -0.04 0.00 -0.94 0.00 0.00 52.86 52.11 2guf s ASN 397 Cb -0.95 0.16 0.48 0.00 -2.00 0.00 0.00 41.25 38.94 2guf s ASN 397 CO 0.51 -1.73 1.72 -0.07 -2.94 0.00 0.00 177.10 174.60 2guf h LEU 398 N -0.32 0.26 -0.65 3.54 3.38 -1.93 -0.75 115.31 118.84 2guf h LEU 398 Ca -0.34 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2guf h LEU 398 Cb 1.27 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2guf h LEU 398 CO 0.39 0.08 -0.03 1.23 0.09 0.00 0.00 178.44 180.21 2guf h GLY 399 N 0.42 1.11 2.00 0.83 0.00 -1.01 0.81 103.07 107.23 2guf h GLY 399 Ca 0.43 -0.83 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 2guf h GLY 399 CO -0.43 0.76 -0.64 1.46 0.00 0.00 0.00 176.54 177.69 2guf h GLN 400 N 0.93 0.00 0.11 4.80 4.20 -1.53 0.81 115.11 124.44 2guf h GLN 400 Ca 0.16 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.64 2guf h GLN 400 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2guf h GLN 400 CO 0.03 0.64 -1.13 -0.07 -0.67 0.00 0.00 178.83 177.64 2guf h LEU 401 N 0.00 0.35 -0.59 1.46 3.38 -0.96 -1.08 115.31 117.88 2guf h LEU 401 Ca -0.01 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2guf h LEU 401 Cb 1.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2guf h LEU 401 CO 0.08 1.50 0.00 -1.22 0.09 0.00 0.00 178.44 178.89 2guf n TYR 402 N -4.06 0.00 -1.96 1.13 4.02 0.26 -1.60 117.16 114.94 2guf n TYR 402 Ca -0.21 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.39 2guf n TYR 402 Cb 0.83 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 40.26 2guf n TYR 402 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2guf s GLY 403 N -0.39 1.64 0.34 2.72 0.00 0.28 -4.91 107.32 106.99 2guf s GLY 403 Ca 0.00 -0.79 0.14 0.00 0.00 0.00 0.00 44.72 44.07 2guf s GLY 403 CO 0.00 -0.27 1.68 -2.75 0.00 0.00 0.00 173.10 171.76 2guf h PHE 404 N -1.06 0.95 -0.04 1.90 3.04 -1.87 0.37 116.94 120.23 2guf h PHE 404 Ca -0.45 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.53 2guf h PHE 404 Cb 1.31 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.57 2guf h PHE 404 CO 0.09 -0.13 0.00 0.66 -2.02 0.00 0.00 178.31 176.92 2guf n TYR 405 N -5.02 0.03 -2.30 0.41 4.02 -1.26 -4.97 117.16 108.06 2guf n TYR 405 Ca 0.31 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 2guf n TYR 405 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 2guf n TYR 405 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2guf n GLY 406 N 1.26 2.79 3.45 2.72 0.00 0.12 -1.40 105.19 114.14 2guf n GLY 406 Ca 0.17 -2.05 0.01 0.00 0.00 0.00 0.00 46.02 44.14 2guf n GLY 406 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2guf s ASN 407 N -0.72 -1.05 0.00 1.61 2.47 -0.41 -4.86 114.94 111.98 2guf s ASN 407 Ca 0.00 1.18 0.05 0.00 0.42 0.00 0.00 52.86 54.51 2guf s ASN 407 Cb 0.00 2.09 0.22 0.00 -1.45 0.00 0.00 41.25 42.11 2guf s ASN 407 CO 0.00 -0.20 1.12 -0.81 -3.72 0.00 0.00 177.10 173.49 2guf n PRO 408 N 5.35 0.02 -0.57 0.43 -0.04 -0.63 -2.50 135.00 137.06 2guf n PRO 408 Ca -0.09 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2guf n PRO 408 Cb 0.50 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.82 2guf n PRO 408 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2guf n ASN 409 N -1.45 4.58 -4.77 3.54 3.02 -1.26 -5.00 115.26 113.92 2guf n ASN 409 Ca 0.01 -2.34 -0.41 0.00 -0.03 0.00 0.00 54.58 51.81 2guf n ASN 409 Cb 0.05 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.65 2guf n ASN 409 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2guf s LEU 410 N -1.64 4.38 0.37 3.41 1.43 -1.04 -5.02 118.68 120.57 2guf s LEU 410 Ca 0.51 2.84 -0.06 0.00 -1.03 0.00 0.00 54.13 56.39 2guf s LEU 410 Cb 0.31 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 2guf s LEU 410 CO 0.27 -0.70 0.66 -1.81 0.23 0.00 0.00 176.35 174.99 2guf s ASP 411 N -0.21 6.40 0.60 2.29 1.01 -1.26 -4.84 116.67 120.66 2guf s ASP 411 Ca 0.52 0.83 -0.19 0.00 0.71 0.00 0.00 52.55 54.42 2guf s ASP 411 Cb -0.43 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2guf s ASP 411 CO 0.56 -0.35 1.13 -2.65 0.21 0.00 0.00 175.17 174.08 2guf n PRO 412 N -1.44 1.12 -3.46 8.23 -0.02 -1.26 -4.60 135.00 133.56 2guf n PRO 412 Ca -0.01 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 2guf n PRO 412 Cb 0.54 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 2guf n PRO 412 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2guf s GLU 413 N -2.94 4.24 -0.03 -0.52 2.02 0.47 -4.78 118.70 117.16 2guf s GLU 413 Ca 0.77 0.24 0.06 0.00 0.02 0.00 0.00 54.97 56.05 2guf s GLU 413 Cb -0.41 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.40 2guf s GLU 413 CO 0.46 0.26 -0.21 0.15 0.02 0.00 0.00 175.26 175.94 2guf s LYS 414 N 0.35 1.90 -0.01 1.61 1.02 -0.74 -1.21 119.74 122.66 2guf s LYS 414 Ca 0.20 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.52 2guf s LYS 414 Cb -0.14 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 2guf s LYS 414 CO 0.07 0.38 -0.22 0.45 -0.92 0.00 0.00 175.35 175.11 2guf s SER 415 N -0.27 2.56 -0.13 2.83 0.15 -0.40 0.59 113.70 119.02 2guf s SER 415 Ca 0.02 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.29 2guf s SER 415 Cb -0.10 -0.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 2guf s SER 415 CO 0.01 0.26 -0.21 -0.54 1.20 0.00 0.00 173.24 173.96 2guf s LYS 416 N -0.55 3.07 -0.03 5.44 1.02 -0.36 -1.84 119.74 126.48 2guf s LYS 416 Ca 0.08 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.28 2guf s LYS 416 Cb -0.08 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 2guf s LYS 416 CO -0.01 0.04 -0.15 -0.65 -0.92 0.00 0.00 175.35 173.66 2guf s GLN 417 N 0.71 1.50 -0.03 1.68 -0.21 -0.25 -0.78 119.66 122.28 2guf s GLN 417 Ca -0.09 -0.53 0.08 0.00 0.02 0.00 0.00 55.36 54.83 2guf s GLN 417 Cb -0.16 -1.34 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 2guf s GLN 417 CO 0.01 0.24 -0.26 -1.58 -2.12 0.00 0.00 175.29 171.58 2guf s TRP 418 N -0.02 2.35 -0.03 0.91 0.51 -0.25 -1.39 118.94 121.03 2guf s TRP 418 Ca -0.01 -0.48 -0.03 0.00 -2.12 0.00 0.00 56.10 53.46 2guf s TRP 418 Cb -0.10 -1.52 0.01 0.00 -0.81 0.00 0.00 33.47 31.06 2guf s TRP 418 CO 0.01 -0.07 0.08 -2.00 -0.51 0.00 0.00 176.95 174.46 2guf s GLU 419 N -0.54 0.08 -0.03 4.98 2.12 -0.36 -0.49 118.70 124.47 2guf s GLU 419 Ca 0.08 0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.57 2guf s GLU 419 Cb -0.11 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 2guf s GLU 419 CO -0.00 -0.02 -0.16 0.20 -0.54 0.00 0.00 175.26 174.73 2guf s GLY 420 N 0.13 0.83 0.08 -1.50 0.00 -0.05 -0.15 107.32 106.66 2guf s GLY 420 Ca -0.01 -0.66 0.05 0.00 0.00 0.00 0.00 44.72 44.10 2guf s GLY 420 CO -0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 173.10 172.51 2guf s ALA 421 N -0.15 1.23 -0.08 3.20 0.00 0.78 -0.82 121.76 125.92 2guf s ALA 421 Ca 0.01 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2guf s ALA 421 Cb -0.09 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2guf s ALA 421 CO 0.01 0.16 -0.09 0.12 0.00 0.00 0.00 175.76 175.96 2guf s PHE 422 N -1.41 1.32 0.07 0.00 5.36 -0.21 -1.00 117.98 122.10 2guf s PHE 422 Ca -0.00 -0.54 0.05 0.00 -0.96 0.00 0.00 56.93 55.48 2guf s PHE 422 Cb -0.09 -1.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.51 2guf s PHE 422 CO 0.02 -0.35 -0.14 -1.83 -1.46 0.00 0.00 175.22 171.47 2guf s GLU 423 N 1.11 0.84 0.23 10.12 -1.05 -0.09 -1.07 118.70 128.79 2guf s GLU 423 Ca -0.07 -0.92 -0.15 0.00 -0.15 0.00 0.00 54.97 53.69 2guf s GLU 423 Cb -0.14 -0.85 0.01 0.00 -0.44 0.00 0.00 34.13 32.70 2guf s GLU 423 CO -0.01 0.19 0.50 0.20 0.95 0.00 0.00 175.26 177.09 2guf s GLY 424 N -1.63 0.26 -0.25 -3.83 0.00 -1.00 -0.18 107.32 100.69 2guf s GLY 424 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.08 2guf s GLY 424 CO 0.02 -0.47 -0.06 -2.27 0.00 0.00 0.00 173.10 170.32 2guf s LEU 425 N -2.96 3.24 -0.14 0.66 0.20 -0.54 -0.92 118.68 118.23 2guf s LEU 425 Ca 0.16 -0.94 -0.00 0.00 0.69 0.00 0.00 54.13 54.04 2guf s LEU 425 Cb -0.01 -1.65 0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2guf s LEU 425 CO 0.04 -0.14 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.01 2guf s THR 426 N 1.30 1.07 -1.52 3.68 2.01 0.68 -4.81 115.64 118.05 2guf s THR 426 Ca -0.01 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 2guf s THR 426 Cb -0.17 -1.16 0.04 0.00 0.01 0.00 0.00 72.50 71.22 2guf s THR 426 CO -0.04 0.26 0.38 0.00 -0.69 0.00 0.00 174.62 174.53 2guf n ALA 427 N 4.91 -1.84 -0.48 7.40 0.00 -1.26 -0.21 120.51 129.03 2guf n ALA 427 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2guf n ALA 427 Cb 0.49 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2guf n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2guf n GLY 428 N -2.00 0.77 3.43 0.00 0.00 -1.26 -5.02 105.19 101.11 2guf n GLY 428 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2guf n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2guf s VAL 429 N -2.98 4.38 -0.35 1.61 1.01 0.71 -4.44 120.40 120.34 2guf s VAL 429 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2guf s VAL 429 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2guf s VAL 429 CO 0.00 0.18 0.62 0.21 0.00 0.00 0.00 175.10 176.11 2guf s ASN 430 N 1.60 6.42 0.12 3.32 2.47 -0.61 -0.23 114.94 128.02 2guf s ASN 430 Ca 0.05 0.15 -0.00 0.00 0.42 0.00 0.00 52.86 53.48 2guf s ASN 430 Cb -0.16 -2.32 -0.04 0.00 -1.45 0.00 0.00 41.25 37.28 2guf s ASN 430 CO 0.05 -0.57 0.01 -1.66 -3.72 0.00 0.00 177.10 171.20 2guf s TRP 431 N 2.66 0.88 -0.11 0.43 1.48 -0.10 -1.53 118.94 122.65 2guf s TRP 431 Ca 0.24 -1.11 -0.19 0.00 -1.06 0.00 0.00 56.10 53.98 2guf s TRP 431 Cb -0.15 -0.52 0.05 0.00 -1.16 0.00 0.00 33.47 31.69 2guf s TRP 431 CO 0.14 -0.37 0.48 0.50 -4.06 0.00 0.00 176.95 173.64 2guf s ARG 432 N -3.96 0.69 -0.01 3.25 3.52 -0.52 -2.38 118.95 119.54 2guf s ARG 432 Ca 0.19 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 2guf s ARG 432 Cb 0.07 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 2guf s ARG 432 CO -0.01 -0.15 -0.05 -1.50 -0.81 0.00 0.00 175.30 172.78 2guf s ILE 433 N -0.44 0.43 0.08 4.11 2.07 -0.23 -0.33 121.20 126.89 2guf s ILE 433 Ca -0.06 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.00 2guf s ILE 433 Cb -0.03 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 2guf s ILE 433 CO 0.03 0.13 -0.06 -0.94 -1.91 0.00 0.00 174.94 172.19 2guf s SER 434 N 0.05 1.02 -0.04 4.50 1.04 0.10 -1.05 113.70 119.32 2guf s SER 434 Ca -0.00 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.56 2guf s SER 434 Cb -0.04 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 2guf s SER 434 CO -0.00 -0.42 -0.18 -0.83 0.98 0.00 0.00 173.24 172.78 2guf s GLY 435 N -2.74 1.44 0.16 7.32 0.00 0.00 -1.36 107.32 112.14 2guf s GLY 435 Ca 0.07 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.82 2guf s GLY 435 CO -0.04 -0.80 -0.10 -2.52 0.00 0.00 0.00 173.10 169.63 2guf s TYR 436 N -0.64 1.36 -0.01 1.90 1.13 -0.21 -0.87 117.35 120.00 2guf s TYR 436 Ca 0.10 -0.73 0.01 0.00 -1.41 0.00 0.00 57.07 55.04 2guf s TYR 436 Cb -0.11 -0.68 0.00 0.00 -1.10 0.00 0.00 41.96 40.07 2guf s TYR 436 CO 0.00 0.13 -0.04 0.50 -2.51 0.00 0.00 175.55 173.63 2guf s ARG 437 N -3.73 0.46 -0.18 -3.49 3.52 0.36 -1.47 118.95 114.41 2guf s ARG 437 Ca 0.18 -0.13 -0.00 0.00 -0.13 0.00 0.00 55.73 55.65 2guf s ARG 437 Cb 0.02 -0.48 0.04 0.00 -1.56 0.00 0.00 34.95 32.98 2guf s ARG 437 CO 0.02 0.05 -0.06 1.21 -0.81 0.00 0.00 175.30 175.70 2guf s ASN 438 N 0.20 3.11 -0.40 -2.12 2.47 0.44 -1.09 114.94 117.55 2guf s ASN 438 Ca -0.02 -0.79 -0.17 0.00 0.42 0.00 0.00 52.86 52.30 2guf s ASN 438 Cb -0.06 -1.02 0.01 0.00 -1.45 0.00 0.00 41.25 38.73 2guf s ASN 438 CO -0.00 -0.18 0.43 -1.81 -3.72 0.00 0.00 177.10 171.82 2guf s ASP 439 N 1.55 6.20 -0.17 -4.21 -0.00 0.04 -0.79 116.67 119.29 2guf s ASP 439 Ca -0.01 -0.55 -0.06 0.00 -0.00 0.00 0.00 52.55 51.93 2guf s ASP 439 Cb -0.16 -2.22 -0.04 0.00 -0.00 0.00 0.00 42.92 40.50 2guf s ASP 439 CO -0.08 -0.54 0.02 -0.69 -0.00 0.00 0.00 175.17 173.89 2guf s VAL 440 N 2.15 4.43 0.01 -1.27 1.01 0.33 -1.23 120.40 125.83 2guf s VAL 440 Ca 0.13 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2guf s VAL 440 Cb -0.17 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 2guf s VAL 440 CO 0.13 0.47 0.41 -0.44 0.00 0.00 0.00 175.10 175.68 2guf s SER 441 N 0.39 6.81 -1.44 3.32 0.01 0.20 -0.77 113.70 122.22 2guf s SER 441 Ca 0.00 0.97 -0.08 0.00 1.31 0.00 0.00 55.95 58.15 2guf s SER 441 Cb -0.13 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 63.90 2guf s SER 441 CO 0.01 0.32 0.84 0.47 0.41 0.00 0.00 173.24 175.29 2guf n ASP 442 N 1.77 -3.16 -4.75 2.44 8.00 -0.53 -1.79 116.55 118.54 2guf n ASP 442 Ca -0.14 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 2guf n ASP 442 Cb 0.52 -3.90 -0.01 0.00 -0.02 0.00 0.00 41.12 37.71 2guf n ASP 442 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2guf n LEU 443 N -4.51 4.35 -4.57 0.64 0.00 -0.82 -4.35 117.00 107.73 2guf n LEU 443 Ca -0.11 1.18 -0.35 0.00 0.00 0.00 0.00 56.01 56.73 2guf n LEU 443 Cb 0.59 -1.58 -0.11 0.00 0.00 0.00 0.00 43.42 42.32 2guf n LEU 443 CO 0.73 0.07 -0.26 -0.63 0.00 0.00 0.00 177.39 177.29 2guf s ILE 444 N -0.43 4.63 0.44 1.96 1.01 -1.26 0.36 121.20 127.90 2guf s ILE 444 Ca 0.60 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 61.23 2guf s ILE 444 Cb -0.50 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2guf s ILE 444 CO 0.54 0.42 0.08 -1.81 0.00 0.00 0.00 174.94 174.17 2guf s ASP 445 N 0.77 4.12 -0.05 3.58 1.01 -0.60 -4.83 116.67 120.67 2guf s ASP 445 Ca 0.03 -1.33 0.06 0.00 0.71 0.00 0.00 52.55 52.02 2guf s ASP 445 Cb -0.13 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.57 2guf s ASP 445 CO 0.02 -0.58 -0.23 -0.47 0.21 0.00 0.00 175.17 174.12 2guf s TYR 446 N -2.71 2.48 -0.39 4.23 6.14 -1.26 -1.00 117.35 124.84 2guf s TYR 446 Ca 0.31 -0.54 -0.08 0.00 0.64 0.00 0.00 57.07 57.40 2guf s TYR 446 Cb 0.06 -1.59 0.06 0.00 0.42 0.00 0.00 41.96 40.91 2guf s TYR 446 CO 0.17 -0.10 0.20 0.34 0.64 0.00 0.00 175.55 176.80 2guf s ASP 447 N -0.36 5.53 0.43 4.32 2.15 0.31 -4.96 116.67 124.09 2guf s ASP 447 Ca 0.02 -1.33 0.09 0.00 0.43 0.00 0.00 52.55 51.77 2guf s ASP 447 Cb -0.12 -1.95 0.92 0.00 -0.30 0.00 0.00 42.92 41.47 2guf s ASP 447 CO 0.02 -0.45 2.05 -2.24 -0.17 0.00 0.00 175.17 174.39 2guf h ASP 448 N 8.34 0.35 0.10 -0.34 3.04 -1.96 0.12 116.42 126.08 2guf h ASP 448 Ca -0.23 -0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 53.54 2guf h ASP 448 Cb 1.08 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.29 2guf h ASP 448 CO 0.69 0.29 -0.05 -0.74 -2.04 0.00 0.00 179.24 177.39 2guf h HIS 449 N 0.41 -0.13 -0.00 4.15 2.76 -1.95 -2.99 115.15 117.40 2guf h HIS 449 Ca 0.11 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2guf h HIS 449 Cb 0.01 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.02 2guf h HIS 449 CO 0.00 0.20 -0.14 0.25 -1.30 0.00 0.00 177.93 176.94 2guf n THR 450 N -5.00 0.00 -3.74 6.26 -2.24 -1.17 -4.94 114.28 103.45 2guf n THR 450 Ca -0.08 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 2guf n THR 450 Cb 0.20 -0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2guf n THR 450 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2guf n LEU 451 N -1.03 -3.01 -3.79 3.22 4.77 0.36 -5.00 117.00 112.52 2guf n LEU 451 Ca 0.13 -0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 55.19 2guf n LEU 451 Cb 0.29 -2.67 -0.11 0.00 -2.33 0.00 0.00 43.42 38.61 2guf n LEU 451 CO 0.25 0.43 -0.08 -0.54 -1.33 0.00 0.00 177.39 176.12 2guf s LYS 452 N -6.12 0.37 0.63 3.23 -0.14 -0.76 -4.57 119.74 112.37 2guf s LYS 452 Ca 0.18 0.20 -0.18 0.00 -1.36 0.00 0.00 55.97 54.80 2guf s LYS 452 Cb -0.09 0.17 -0.02 0.00 -1.68 0.00 0.00 37.83 36.21 2guf s LYS 452 CO 0.81 -0.06 1.25 0.71 -0.76 0.00 0.00 175.35 177.30 2guf s TYR 453 N -0.23 2.20 0.15 3.18 1.51 -0.49 -0.53 117.35 123.14 2guf s TYR 453 Ca -0.03 1.50 -0.13 0.00 -1.01 0.00 0.00 57.07 57.40 2guf s TYR 453 Cb -0.03 -3.60 0.01 0.00 -0.11 0.00 0.00 41.96 38.23 2guf s TYR 453 CO 0.01 -2.63 0.36 1.52 -1.11 0.00 0.00 175.55 173.70 2guf s TYR 454 N -1.51 0.10 -0.31 2.71 -0.85 -0.17 -4.87 117.35 112.45 2guf s TYR 454 Ca 0.80 -0.46 -0.16 0.00 -0.52 0.00 0.00 57.07 56.73 2guf s TYR 454 Cb -0.34 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 2guf s TYR 454 CO 0.37 -0.74 0.40 1.21 -1.52 0.00 0.00 175.55 175.27 2guf s ASN 455 N -2.89 6.24 0.41 -0.18 2.47 -1.26 -1.56 114.94 118.16 2guf s ASN 455 Ca 0.10 0.06 0.22 0.00 0.42 0.00 0.00 52.86 53.66 2guf s ASN 455 Cb 0.02 -2.22 0.56 0.00 -1.45 0.00 0.00 41.25 38.16 2guf s ASN 455 CO -0.05 -0.29 1.67 -0.08 -3.72 0.00 0.00 177.10 174.63 2guf h GLU 456 N 8.32 0.00 0.00 0.43 4.57 -0.40 -3.48 114.58 124.02 2guf h GLU 456 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2guf h GLU 456 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2guf h GLU 456 CO 0.68 0.22 0.00 0.41 -1.18 0.00 0.00 179.01 179.14 2guf n GLY 457 N 0.72 0.69 3.73 1.92 0.00 -1.25 -4.90 105.19 106.10 2guf n GLY 457 Ca 0.02 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 2guf n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2guf s LYS 458 N 0.00 4.40 0.05 1.61 1.02 -1.26 -1.45 119.74 124.10 2guf s LYS 458 Ca 0.00 0.78 0.08 0.00 0.02 0.00 0.00 55.97 56.85 2guf s LYS 458 Cb 0.00 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 2guf s LYS 458 CO 0.00 0.16 -0.22 0.00 -0.92 0.00 0.00 175.35 174.37 2guf s ALA 459 N 0.51 1.87 -0.12 5.17 0.00 0.05 -0.72 121.76 128.51 2guf s ALA 459 Ca 0.34 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2guf s ALA 459 Cb -0.18 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2guf s ALA 459 CO 0.17 0.42 -0.14 0.50 0.00 0.00 0.00 175.76 176.71 2guf s ARG 460 N -1.23 2.18 -0.20 0.00 3.52 0.24 -0.51 118.95 122.95 2guf s ARG 460 Ca 0.08 -0.53 -0.05 0.00 -0.13 0.00 0.00 55.73 55.10 2guf s ARG 460 Cb -0.09 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 2guf s ARG 460 CO 0.02 -0.15 0.01 0.42 -0.81 0.00 0.00 175.30 174.79 2guf s ILE 461 N 1.26 4.06 -0.04 4.11 1.09 0.03 -0.54 121.20 131.17 2guf s ILE 461 Ca -0.01 -0.28 0.05 0.00 -1.10 0.00 0.00 60.65 59.32 2guf s ILE 461 Cb -0.14 -2.84 -0.02 0.00 -1.06 0.00 0.00 42.46 38.40 2guf s ILE 461 CO -0.06 0.43 -0.19 -0.54 -0.10 0.00 0.00 174.94 174.48 2guf s LYS 462 N 0.96 2.40 0.05 2.79 1.02 0.07 -0.42 119.74 126.61 2guf s LYS 462 Ca 0.02 -0.79 -0.16 0.00 0.02 0.00 0.00 55.97 55.06 2guf s LYS 462 Cb -0.14 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2guf s LYS 462 CO 0.02 0.57 0.36 0.20 -0.92 0.00 0.00 175.35 175.58 2guf s GLY 463 N -0.61 -0.20 -0.03 -3.33 0.00 -0.55 0.48 107.32 103.09 2guf s GLY 463 Ca 0.09 0.15 0.04 0.00 0.00 0.00 0.00 44.72 45.00 2guf s GLY 463 CO 0.00 -0.09 -0.13 0.14 0.00 0.00 0.00 173.10 173.02 2guf s VAL 464 N -2.54 1.09 -0.15 1.40 1.01 -0.26 -1.04 120.40 119.91 2guf s VAL 464 Ca -0.05 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2guf s VAL 464 Cb -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2guf s VAL 464 CO -0.03 0.32 -0.20 -0.70 0.00 0.00 0.00 175.10 174.49 2guf s GLU 465 N -0.02 2.89 -0.04 2.72 2.12 -0.47 -0.63 118.70 125.27 2guf s GLU 465 Ca -0.01 -0.80 0.07 0.00 0.36 0.00 0.00 54.97 54.59 2guf s GLU 465 Cb -0.09 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 2guf s GLU 465 CO 0.01 -0.09 -0.25 0.00 -0.54 0.00 0.00 175.26 174.39 2guf s ALA 466 N 1.00 2.20 0.08 6.30 0.00 0.96 -0.72 121.76 131.57 2guf s ALA 466 Ca -0.03 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2guf s ALA 466 Cb -0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2guf s ALA 466 CO -0.06 0.49 -0.11 0.95 0.00 0.00 0.00 175.76 177.03 2guf s THR 467 N -0.45 0.93 0.01 0.00 -4.23 0.56 -0.04 115.64 112.42 2guf s THR 467 Ca 0.05 -1.40 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 2guf s THR 467 Cb -0.11 -1.10 0.04 0.00 1.34 0.00 0.00 72.50 72.66 2guf s THR 467 CO 0.01 -0.40 0.44 0.00 -0.54 0.00 0.00 174.62 174.13 2guf s ALA 468 N -1.78 -1.10 0.02 3.99 0.00 -0.62 -1.43 121.76 120.84 2guf s ALA 468 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2guf s ALA 468 Cb -0.07 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2guf s ALA 468 CO 0.01 -0.40 -0.03 0.54 0.00 0.00 0.00 175.76 175.88 2guf s ASN 469 N -1.69 0.31 -0.06 0.00 4.22 -0.58 -0.92 114.94 116.21 2guf s ASN 469 Ca -0.08 -0.53 -0.30 0.00 -2.14 0.00 0.00 52.86 49.80 2guf s ASN 469 Cb -0.02 0.10 0.11 0.00 1.28 0.00 0.00 41.25 42.72 2guf s ASN 469 CO 0.01 -0.31 0.96 0.72 -2.04 0.00 0.00 177.10 176.45 2guf s PHE 470 N -1.58 -0.31 -0.01 1.54 -0.12 -0.65 -1.57 117.98 115.27 2guf s PHE 470 Ca -0.14 0.23 0.05 0.00 -0.05 0.00 0.00 56.93 57.02 2guf s PHE 470 Cb -0.09 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2guf s PHE 470 CO -0.01 -0.46 -0.14 -0.51 -0.05 0.00 0.00 175.22 174.05 2guf s ASP 471 N -2.27 4.06 -0.27 1.98 1.11 -1.26 -0.21 116.67 119.81 2guf s ASP 471 Ca 0.05 -0.26 -0.01 0.00 0.18 0.00 0.00 52.55 52.52 2guf s ASP 471 Cb -0.01 -0.81 0.08 0.00 1.07 0.00 0.00 42.92 43.25 2guf s ASP 471 CO -0.07 0.31 0.05 0.42 1.18 0.00 0.00 175.17 177.06 2guf s THR 472 N -0.84 1.02 0.00 -1.27 -4.23 0.63 -4.99 115.64 105.96 2guf s THR 472 Ca 0.13 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2guf s THR 472 Cb -0.11 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.12 2guf s THR 472 CO 0.03 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 2guf n GLY 473 N 4.82 3.58 0.00 3.99 0.00 -1.26 -1.38 105.19 114.94 2guf n GLY 473 Ca -0.05 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2guf n GLY 473 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2guf n PRO 474 N 14.00 0.15 -3.26 1.61 -0.04 -1.26 -4.82 135.00 141.38 2guf n PRO 474 Ca 0.00 0.06 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 2guf n PRO 474 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2guf n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2guf s LEU 475 N -2.82 4.41 -0.12 1.53 1.43 -0.48 -4.26 118.68 118.37 2guf s LEU 475 Ca 0.17 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2guf s LEU 475 Cb 0.16 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 2guf s LEU 475 CO 0.42 0.12 -0.08 -0.89 0.23 0.00 0.00 176.35 176.15 2guf s THR 476 N -0.22 3.50 -0.11 5.49 2.01 0.45 -0.27 115.64 126.49 2guf s THR 476 Ca 0.29 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.80 2guf s THR 476 Cb -0.18 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 2guf s THR 476 CO 0.16 0.53 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.43 2guf s HIS 477 N 0.05 2.67 -0.13 4.92 0.09 0.70 -0.90 115.29 122.70 2guf s HIS 477 Ca -0.02 -0.82 -0.01 0.00 -0.00 0.00 0.00 55.06 54.20 2guf s HIS 477 Cb -0.14 -1.76 0.04 0.00 -0.00 0.00 0.00 32.58 30.71 2guf s HIS 477 CO 0.03 -0.30 -0.03 0.99 -0.00 0.00 0.00 174.74 175.44 2guf s THR 478 N 0.29 0.76 0.02 1.30 2.01 -0.45 -1.64 115.64 117.93 2guf s THR 478 Ca -0.14 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.61 2guf s THR 478 Cb -0.17 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2guf s THR 478 CO 0.07 0.17 -0.16 0.54 -0.69 0.00 0.00 174.62 174.55 2guf s VAL 479 N 1.79 1.23 0.02 3.82 0.11 -0.10 -0.00 120.40 127.27 2guf s VAL 479 Ca 0.03 -0.88 -0.06 0.00 -2.93 0.00 0.00 61.98 58.14 2guf s VAL 479 Cb -0.14 -1.07 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 2guf s VAL 479 CO -0.07 0.18 0.11 -0.94 -3.33 0.00 0.00 175.10 171.05 2guf s SER 480 N -0.81 0.09 -0.02 3.54 1.04 0.40 -1.58 113.70 116.37 2guf s SER 480 Ca 0.04 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.16 2guf s SER 480 Cb -0.07 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 2guf s SER 480 CO 0.01 -0.42 -0.10 -0.47 0.98 0.00 0.00 173.24 173.24 2guf s TYR 481 N -1.85 0.94 0.01 5.02 5.04 0.94 -0.95 117.35 126.49 2guf s TYR 481 Ca -0.11 -0.20 0.05 0.00 -2.44 0.00 0.00 57.07 54.37 2guf s TYR 481 Cb -0.05 -0.63 -0.02 0.00 0.35 0.00 0.00 41.96 41.61 2guf s TYR 481 CO -0.01 -0.05 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.49 2guf s ASP 482 N -0.07 1.84 -0.09 4.32 1.11 -0.14 -0.03 116.67 123.61 2guf s ASP 482 Ca 0.01 -0.34 0.03 0.00 0.18 0.00 0.00 52.55 52.43 2guf s ASP 482 Cb -0.06 -0.18 -0.02 0.00 1.07 0.00 0.00 42.92 43.74 2guf s ASP 482 CO -0.00 0.15 -0.17 -0.47 1.18 0.00 0.00 175.17 175.86 2guf s TYR 483 N -0.51 2.68 -0.24 4.23 5.04 0.20 -1.33 117.35 127.42 2guf s TYR 483 Ca 0.05 -0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 54.13 2guf s TYR 483 Cb -0.07 -1.71 0.07 0.00 0.35 0.00 0.00 41.96 40.60 2guf s TYR 483 CO 0.00 -0.10 0.04 0.08 -1.34 0.00 0.00 175.55 174.23 2guf s VAL 484 N -0.10 0.81 -0.61 3.14 1.01 0.46 -1.10 120.40 124.00 2guf s VAL 484 Ca -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 2guf s VAL 484 Cb -0.14 -1.37 0.16 0.00 0.00 0.00 0.00 36.38 35.03 2guf s VAL 484 CO 0.04 -0.33 0.44 -0.62 0.00 0.00 0.00 175.10 174.63 2guf s ASP 485 N 1.70 5.43 -0.29 3.32 3.68 0.18 -4.46 116.67 126.23 2guf s ASP 485 Ca 0.01 -2.69 -0.11 0.00 2.13 0.00 0.00 52.55 51.90 2guf s ASP 485 Cb -0.17 -1.90 -0.05 0.00 -1.45 0.00 0.00 42.92 39.35 2guf s ASP 485 CO -0.13 -0.43 0.19 0.00 0.13 0.00 0.00 175.17 174.93 2guf s ALA 486 N 0.18 3.51 0.09 3.66 0.00 -1.26 -0.75 121.76 127.19 2guf s ALA 486 Ca 0.15 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2guf s ALA 486 Cb -0.20 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2guf s ALA 486 CO -0.04 -0.60 -0.06 1.03 0.00 0.00 0.00 175.76 176.09 2guf s ARG 487 N 1.75 0.78 -0.04 0.00 0.52 0.30 -0.69 118.95 121.57 2guf s ARG 487 Ca 0.07 -1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 2guf s ARG 487 Cb -0.16 -0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.10 2guf s ARG 487 CO 0.11 -0.02 1.30 1.21 0.02 0.00 0.00 175.30 177.91 2guf s ASN 488 N -2.90 6.95 0.55 0.23 3.84 -0.05 -0.59 114.94 122.98 2guf s ASN 488 Ca 0.09 1.95 0.35 0.00 0.21 0.00 0.00 52.86 55.46 2guf s ASN 488 Cb 0.04 -2.56 1.59 0.00 -0.55 0.00 0.00 41.25 39.77 2guf s ASN 488 CO -0.05 -0.66 2.04 0.00 -2.79 0.00 0.00 177.10 175.65 2guf h ALA 489 N 7.68 1.00 0.00 1.71 0.00 -1.20 0.20 119.26 128.65 2guf h ALA 489 Ca -0.35 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2guf h ALA 489 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2guf h ALA 489 CO 0.90 0.00 -0.54 0.82 0.00 0.00 0.00 179.25 180.42 2guf h ILE 490 N 0.00 0.33 0.00 0.00 1.08 -1.91 -3.39 117.51 113.62 2guf h ILE 490 Ca 0.00 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2guf h ILE 490 Cb 0.36 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2guf h ILE 490 CO 0.00 0.11 -0.40 0.71 -0.69 0.00 0.00 178.15 177.88 2guf h THR 491 N -1.00 0.00 -0.19 -0.27 1.35 -1.92 -3.47 112.91 107.40 2guf h THR 491 Ca -0.08 -0.57 -0.08 0.00 -0.55 0.00 0.00 66.41 65.13 2guf h THR 491 Cb 0.62 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 2guf h THR 491 CO -0.05 0.00 -0.08 -0.67 -0.25 0.00 0.00 175.52 174.48 2guf n ASP 492 N -2.29 -4.33 -4.74 5.36 2.03 0.68 -5.01 116.55 108.26 2guf n ASP 492 Ca 0.04 0.10 -0.40 0.00 0.52 0.00 0.00 54.79 55.05 2guf n ASP 492 Cb 0.45 -2.19 -0.05 0.00 -0.72 0.00 0.00 41.12 38.62 2guf n ASP 492 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2guf s THR 493 N -1.87 4.84 0.31 5.18 -4.23 -1.24 -4.70 115.64 113.92 2guf s THR 493 Ca 0.00 1.56 -0.28 0.00 -1.18 0.00 0.00 61.69 61.79 2guf s THR 493 Cb 0.00 -4.09 -0.13 0.00 1.34 0.00 0.00 72.50 69.62 2guf s THR 493 CO 0.00 0.33 1.15 -2.65 -0.54 0.00 0.00 174.62 172.91 2guf n PRO 494 N 3.09 1.72 -2.53 3.99 -0.02 -1.26 -0.87 135.00 139.11 2guf n PRO 494 Ca -0.02 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 2guf n PRO 494 Cb 0.51 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2guf n PRO 494 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2guf s LEU 495 N -0.20 3.83 0.31 2.45 1.43 0.13 -4.82 118.68 121.81 2guf s LEU 495 Ca 0.58 1.91 -0.09 0.00 -1.03 0.00 0.00 54.13 55.49 2guf s LEU 495 Cb -0.64 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 40.95 2guf s LEU 495 CO 0.60 -0.78 0.64 -0.76 0.23 0.00 0.00 176.35 176.29 2guf s LEU 496 N -3.53 4.02 0.00 1.79 1.02 -1.26 -4.37 118.68 116.35 2guf s LEU 496 Ca 0.67 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.79 2guf s LEU 496 Cb -0.16 -3.79 0.00 0.00 0.02 0.00 0.00 46.19 42.26 2guf s LEU 496 CO 0.20 -0.22 0.00 0.54 0.02 0.00 0.00 176.35 176.89 2guf n ARG 497 N -0.73 -0.29 -3.54 1.70 1.74 0.33 -4.93 116.66 110.93 2guf n ARG 497 Ca 0.01 0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 2guf n ARG 497 Cb 0.53 -3.27 -0.08 0.00 -1.02 0.00 0.00 32.46 28.63 2guf n ARG 497 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2guf s ARG 498 N -0.34 4.17 0.20 5.56 3.00 -1.26 -4.90 118.95 125.38 2guf s ARG 498 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 55.73 55.42 2guf s ARG 498 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 34.95 31.36 2guf s ARG 498 CO 0.00 0.10 1.42 0.00 0.00 0.00 0.00 175.30 176.82 2guf s ALA 499 N 0.90 3.62 -0.10 2.13 0.00 -1.26 -4.32 121.76 122.73 2guf s ALA 499 Ca 0.14 1.25 0.15 0.00 0.00 0.00 0.00 51.96 53.50 2guf s ALA 499 Cb -0.13 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.56 2guf s ALA 499 CO 0.05 -0.68 1.47 -0.22 0.00 0.00 0.00 175.76 176.38 2guf h LYS 500 N 5.64 0.00 -4.80 0.00 3.64 -1.47 -3.42 116.57 116.17 2guf h LYS 500 Ca -0.45 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.60 2guf h LYS 500 Cb 1.21 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 2guf h LYS 500 CO 0.81 0.52 -0.76 -0.65 -2.27 0.00 0.00 179.45 177.11 2guf s GLN 501 N -3.02 0.64 -0.05 1.90 -0.21 -1.26 -0.40 119.66 117.25 2guf s GLN 501 Ca 0.03 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.72 2guf s GLN 501 Cb 0.08 -0.52 0.02 0.00 1.00 0.00 0.00 33.01 33.59 2guf s GLN 501 CO 0.74 0.12 -0.06 -0.65 -2.12 0.00 0.00 175.29 173.31 2guf s GLN 502 N -1.30 1.06 -0.09 2.91 -0.21 -0.44 0.00 119.66 121.59 2guf s GLN 502 Ca -0.05 -0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.19 2guf s GLN 502 Cb -0.08 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 32.93 2guf s GLN 502 CO 0.01 -0.06 -0.20 0.08 -2.12 0.00 0.00 175.29 172.99 2guf s VAL 503 N 0.88 1.76 -0.06 1.09 1.01 0.31 -0.96 120.40 124.44 2guf s VAL 503 Ca -0.11 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2guf s VAL 503 Cb -0.15 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2guf s VAL 503 CO 0.01 0.49 -0.10 -0.54 0.00 0.00 0.00 175.10 174.96 2guf s LYS 504 N 0.44 1.47 -0.05 2.72 1.02 -0.13 -0.62 119.74 124.60 2guf s LYS 504 Ca -0.18 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 2guf s LYS 504 Cb -0.17 -1.26 0.03 0.00 -0.52 0.00 0.00 37.83 35.90 2guf s LYS 504 CO 0.07 -0.01 0.02 -0.47 -0.92 0.00 0.00 175.35 174.04 2guf s TYR 505 N 0.75 0.35 -0.08 3.18 6.14 -0.50 -0.45 117.35 126.73 2guf s TYR 505 Ca -0.13 0.02 0.02 0.00 0.64 0.00 0.00 57.07 57.62 2guf s TYR 505 Cb -0.15 -0.55 -0.02 0.00 0.42 0.00 0.00 41.96 41.66 2guf s TYR 505 CO 0.03 -0.21 -0.16 -1.14 0.64 0.00 0.00 175.55 174.71 2guf s GLN 506 N 1.64 2.88 -0.15 4.97 2.00 1.00 -0.73 119.66 131.27 2guf s GLN 506 Ca -0.01 -0.73 0.00 0.00 -2.00 0.00 0.00 55.36 52.62 2guf s GLN 506 Cb -0.13 -2.45 0.03 0.00 0.80 0.00 0.00 33.01 31.26 2guf s GLN 506 CO -0.03 0.41 -0.10 -1.17 -0.50 0.00 0.00 175.29 173.90 2guf s LEU 507 N -0.19 1.63 -0.00 3.68 2.96 -0.04 -1.34 118.68 125.38 2guf s LEU 507 Ca -0.01 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2guf s LEU 507 Cb -0.13 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 2guf s LEU 507 CO 0.03 -0.11 -0.25 -1.81 -1.32 0.00 0.00 176.35 172.89 2guf s ASP 508 N 1.56 2.92 0.10 3.68 1.01 -0.08 -0.01 116.67 125.85 2guf s ASP 508 Ca 0.03 -0.47 -0.25 0.00 0.71 0.00 0.00 52.55 52.57 2guf s ASP 508 Cb -0.14 -0.31 0.08 0.00 1.01 0.00 0.00 42.92 43.56 2guf s ASP 508 CO -0.09 0.29 0.70 -1.66 0.21 0.00 0.00 175.17 174.62 2guf s TRP 509 N -0.63 -0.47 -0.10 4.23 -2.14 -0.44 -0.41 118.94 118.98 2guf s TRP 509 Ca 0.10 0.30 0.03 0.00 2.66 0.00 0.00 56.10 59.18 2guf s TRP 509 Cb -0.10 0.55 0.01 0.00 -3.10 0.00 0.00 33.47 30.83 2guf s TRP 509 CO -0.00 -0.74 -0.20 -0.65 -2.66 0.00 0.00 176.95 172.70 2guf s GLN 510 N -3.50 2.63 -0.08 3.25 1.11 -1.26 0.99 119.66 122.81 2guf s GLN 510 Ca 0.02 -0.73 -0.03 0.00 0.01 0.00 0.00 55.36 54.64 2guf s GLN 510 Cb -0.01 -2.08 0.04 0.00 -1.01 0.00 0.00 33.01 29.95 2guf s GLN 510 CO -0.11 0.07 0.09 -1.17 0.01 0.00 0.00 175.29 174.18 2guf s LEU 511 N 0.61 0.13 -1.42 2.90 0.20 0.04 -4.85 118.68 116.29 2guf s LEU 511 Ca -0.14 -0.03 -0.10 0.00 0.69 0.00 0.00 54.13 54.56 2guf s LEU 511 Cb -0.17 -0.06 0.04 0.00 -0.43 0.00 0.00 46.19 45.58 2guf s LEU 511 CO 0.04 -0.27 1.09 -1.22 -0.29 0.00 0.00 176.35 175.69 2guf n TYR 512 N 5.30 -2.61 -0.24 5.38 0.53 -1.26 -1.80 117.16 122.46 2guf n TYR 512 Ca -0.04 0.97 0.00 0.00 -1.02 0.00 0.00 57.90 57.80 2guf n TYR 512 Cb 0.50 -4.61 0.00 0.00 -1.03 0.00 0.00 39.34 34.19 2guf n TYR 512 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2guf n ASP 513 N -2.95 0.00 -4.72 7.72 9.92 -1.26 -4.99 116.55 120.27 2guf n ASP 513 Ca -0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 2guf n ASP 513 Cb 0.56 -0.32 -0.04 0.00 -0.64 0.00 0.00 41.12 40.68 2guf n ASP 513 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2guf s PHE 514 N -2.86 3.72 -0.24 1.24 0.08 -0.75 -4.28 117.98 114.90 2guf s PHE 514 Ca 0.00 1.73 -0.05 0.00 0.12 0.00 0.00 56.93 58.72 2guf s PHE 514 Cb 0.00 -3.08 -0.01 0.00 -0.57 0.00 0.00 43.02 39.36 2guf s PHE 514 CO 0.00 0.09 0.01 0.34 -0.10 0.00 0.00 175.22 175.55 2guf s ASP 515 N 0.58 4.67 0.02 1.36 3.68 -0.08 -0.78 116.67 126.12 2guf s ASP 515 Ca 0.49 -0.39 0.02 0.00 2.13 0.00 0.00 52.55 54.80 2guf s ASP 515 Cb -0.22 -1.81 -0.04 0.00 -1.45 0.00 0.00 42.92 39.40 2guf s ASP 515 CO 0.28 -0.05 0.03 0.26 0.13 0.00 0.00 175.17 175.82 2guf s TRP 516 N 1.52 3.13 -0.04 -5.34 0.52 0.28 -1.31 118.94 117.70 2guf s TRP 516 Ca 0.05 0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.26 2guf s TRP 516 Cb -0.15 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 2guf s TRP 516 CO -0.00 0.49 0.03 0.20 0.02 0.00 0.00 176.95 177.69 2guf s GLY 517 N -1.80 0.23 -0.14 0.98 0.00 -0.41 -1.33 107.32 104.84 2guf s GLY 517 Ca 0.22 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 2guf s GLY 517 CO 0.14 1.06 0.02 -0.42 0.00 0.00 0.00 173.10 173.90 2guf s ILE 518 N 1.70 4.41 -0.10 0.90 1.01 0.98 -0.23 121.20 129.87 2guf s ILE 518 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2guf s ILE 518 Cb -0.13 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2guf s ILE 518 CO -0.03 0.52 -0.20 -0.89 0.00 0.00 0.00 174.94 174.35 2guf s THR 519 N -0.11 2.47 -0.00 2.92 2.01 -0.33 -0.86 115.64 121.74 2guf s THR 519 Ca 0.05 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.24 2guf s THR 519 Cb -0.12 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2guf s THR 519 CO 0.02 0.55 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.80 2guf s TYR 520 N 0.21 2.03 -0.02 4.92 5.04 0.10 -0.66 117.35 128.96 2guf s TYR 520 Ca -0.12 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 2guf s TYR 520 Cb -0.16 -1.29 0.03 0.00 0.35 0.00 0.00 41.96 40.89 2guf s TYR 520 CO 0.07 -0.00 0.02 -1.14 -1.34 0.00 0.00 175.55 173.16 2guf s GLN 521 N -0.68 0.01 -0.11 4.97 0.74 -0.13 -1.41 119.66 123.04 2guf s GLN 521 Ca 0.09 0.16 0.03 0.00 0.05 0.00 0.00 55.36 55.69 2guf s GLN 521 Cb -0.09 -0.27 -0.00 0.00 1.10 0.00 0.00 33.01 33.75 2guf s GLN 521 CO -0.00 -0.16 -0.21 -0.47 -0.55 0.00 0.00 175.29 173.90 2guf s TYR 522 N 1.02 2.64 -0.18 1.67 5.04 0.20 -0.83 117.35 126.91 2guf s TYR 522 Ca -0.09 -0.99 0.01 0.00 -2.44 0.00 0.00 57.07 53.56 2guf s TYR 522 Cb -0.12 -1.76 0.03 0.00 0.35 0.00 0.00 41.96 40.45 2guf s TYR 522 CO -0.03 -0.40 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.12 2guf s LEU 523 N 0.43 2.18 0.00 6.97 1.02 -0.46 -0.53 118.68 128.28 2guf s LEU 523 Ca -0.15 -0.72 0.00 0.00 0.02 0.00 0.00 54.13 53.28 2guf s LEU 523 Cb -0.17 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.67 2guf s LEU 523 CO 0.06 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 176.99 2guf n GLY 524 N 4.65 -1.30 3.77 -3.19 0.00 0.10 -0.81 105.19 108.42 2guf n GLY 524 Ca -0.18 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 2guf n GLY 524 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2guf s THR 525 N -0.37 3.14 0.12 2.61 -1.32 -1.26 -4.29 115.64 114.27 2guf s THR 525 Ca 0.00 0.84 0.03 0.00 -1.21 0.00 0.00 61.69 61.35 2guf s THR 525 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 72.50 67.53 2guf s THR 525 CO 0.00 -0.03 -0.07 -0.13 -2.21 0.00 0.00 174.62 172.18 2guf s ARG 526 N -2.75 0.94 -0.09 7.08 0.52 -0.95 -1.46 118.95 122.24 2guf s ARG 526 Ca 0.64 -1.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.43 2guf s ARG 526 Cb -0.28 -0.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.80 2guf s ARG 526 CO 0.34 0.00 0.03 0.71 0.02 0.00 0.00 175.30 176.40 2guf s TYR 527 N -3.53 3.25 0.16 -0.53 1.51 -1.26 0.37 117.35 117.31 2guf s TYR 527 Ca 0.15 0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 56.44 2guf s TYR 527 Cb 0.04 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 2guf s TYR 527 CO -0.02 0.52 0.14 0.34 -1.11 0.00 0.00 175.55 175.42 2guf s ASP 528 N -0.92 0.20 0.02 2.29 -1.08 -0.12 0.12 116.67 117.19 2guf s ASP 528 Ca 0.14 -1.16 -0.17 0.00 -0.52 0.00 0.00 52.55 50.83 2guf s ASP 528 Cb -0.11 0.36 -0.06 0.00 -1.46 0.00 0.00 42.92 41.64 2guf s ASP 528 CO 0.03 -0.81 0.50 -0.54 0.52 0.00 0.00 175.17 174.87 2guf s LYS 529 N -4.05 4.11 -0.44 4.34 -0.14 -1.26 -0.57 119.74 121.72 2guf s LYS 529 Ca 0.26 0.58 -0.17 0.00 -1.36 0.00 0.00 55.97 55.27 2guf s LYS 529 Cb 0.06 -3.26 0.03 0.00 -1.68 0.00 0.00 37.83 32.99 2guf s LYS 529 CO 0.04 0.60 0.44 0.34 -0.76 0.00 0.00 175.35 176.01 2guf s ASP 530 N -0.87 6.18 0.00 2.83 -1.08 0.39 -4.94 116.67 119.18 2guf s ASP 530 Ca 0.27 -0.81 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 2guf s ASP 530 Cb -0.18 -2.22 0.81 0.00 -1.46 0.00 0.00 42.92 39.88 2guf s ASP 530 CO 0.16 -0.61 1.61 -1.22 0.52 0.00 0.00 175.17 175.62 2guf n TYR 531 N 5.57 0.07 -0.01 -5.34 4.02 -1.26 -3.40 117.16 116.80 2guf n TYR 531 Ca -0.08 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.90 57.65 2guf n TYR 531 Cb 0.47 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.71 2guf n TYR 531 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2guf h SER 532 N 2.83 0.09 -3.59 7.72 4.64 -1.98 -3.42 113.55 119.85 2guf h SER 532 Ca 0.00 -0.27 -0.67 0.00 -0.47 0.00 0.00 61.79 60.38 2guf h SER 532 Cb 0.61 -0.02 -0.26 0.00 -0.31 0.00 0.00 62.40 62.41 2guf h SER 532 CO 0.00 0.33 -0.78 -0.94 -0.87 0.00 0.00 176.83 174.58 2guf s SER 533 N -5.55 3.92 0.03 4.97 1.04 -1.26 -5.11 113.70 111.73 2guf s SER 533 Ca -0.14 -0.31 -0.25 0.00 0.48 0.00 0.00 55.95 55.73 2guf s SER 533 Cb 0.04 -1.32 -0.05 0.00 0.10 0.00 0.00 66.02 64.80 2guf s SER 533 CO 0.68 0.23 0.78 -0.47 0.98 0.00 0.00 173.24 175.44 2guf s TYR 534 N -0.02 3.71 0.34 5.02 5.04 -1.26 -3.12 117.35 127.05 2guf s TYR 534 Ca -0.04 1.47 -0.26 0.00 -2.44 0.00 0.00 57.07 55.79 2guf s TYR 534 Cb -0.14 -2.85 -0.09 0.00 0.35 0.00 0.00 41.96 39.23 2guf s TYR 534 CO 0.04 0.22 1.05 -1.25 -1.34 0.00 0.00 175.55 174.27 2guf s PRO 535 N 0.16 4.40 -0.12 4.97 0.04 -1.26 -5.09 135.00 138.10 2guf s PRO 535 Ca 0.40 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 2guf s PRO 535 Cb -0.20 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 2guf s PRO 535 CO 0.23 0.06 1.35 0.71 0.04 0.00 0.00 177.00 179.38 2guf s TYR 536 N -1.46 2.71 0.28 0.56 2.02 -1.18 -4.99 117.35 115.29 2guf s TYR 536 Ca 0.52 0.85 -0.15 0.00 -0.37 0.00 0.00 57.07 57.92 2guf s TYR 536 Cb -0.25 -3.59 -0.08 0.00 -0.40 0.00 0.00 41.96 37.63 2guf s TYR 536 CO 0.32 -2.16 0.70 -0.65 -1.57 0.00 0.00 175.55 172.19 2guf s GLN 537 N 3.36 4.02 -0.09 -0.62 -1.52 -1.22 -4.83 119.66 118.75 2guf s GLN 537 Ca 0.59 0.64 -0.21 0.00 -1.95 0.00 0.00 55.36 54.43 2guf s GLN 537 Cb -0.25 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 2guf s GLN 537 CO 0.19 0.24 0.58 0.99 -0.25 0.00 0.00 175.29 177.05 2guf s THR 538 N -1.85 5.12 0.03 -0.19 2.01 -1.26 -0.46 115.64 119.04 2guf s THR 538 Ca 0.50 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.74 2guf s THR 538 Cb -0.12 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2guf s THR 538 CO 0.19 0.29 -0.15 0.54 -0.69 0.00 0.00 174.62 174.80 2guf s VAL 539 N 0.72 1.19 -0.16 3.82 0.11 0.27 -4.96 120.40 121.37 2guf s VAL 539 Ca 0.31 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 58.30 2guf s VAL 539 Cb -0.16 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.59 2guf s VAL 539 CO 0.14 0.09 0.22 -0.75 -3.33 0.00 0.00 175.10 171.47 2guf s LYS 540 N -0.99 4.12 0.14 1.54 2.20 -1.26 -0.94 119.74 124.55 2guf s LYS 540 Ca 0.03 -0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 2guf s LYS 540 Cb -0.07 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2guf s LYS 540 CO 0.01 0.35 0.30 -1.64 -0.36 0.00 0.00 175.35 174.00 2guf s MET 541 N 0.18 3.46 0.59 4.03 -1.94 0.16 -4.93 119.30 120.85 2guf s MET 541 Ca 0.13 -0.49 -0.15 0.00 -1.71 0.00 0.00 55.69 53.48 2guf s MET 541 Cb -0.12 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 2guf s MET 541 CO 0.02 0.51 1.03 0.20 -0.01 0.00 0.00 175.02 176.78 2guf s GLY 542 N -3.04 1.97 0.75 -0.03 0.00 -1.26 -2.24 107.32 103.48 2guf s GLY 542 Ca 0.36 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.18 2guf s GLY 542 CO 0.28 0.52 1.10 -0.32 0.00 0.00 0.00 173.10 174.69 2guf s GLY 543 N -3.20 1.81 -0.03 0.20 0.00 -1.26 -4.61 107.32 100.23 2guf s GLY 543 Ca 0.60 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.72 2guf s GLY 543 CO 0.40 0.73 -0.07 0.14 0.00 0.00 0.00 173.10 174.30 2guf s VAL 544 N -2.72 0.67 -0.14 1.40 1.01 0.01 -4.96 120.40 115.67 2guf s VAL 544 Ca 0.63 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 2guf s VAL 544 Cb -0.19 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2guf s VAL 544 CO 0.52 0.23 0.03 -0.44 0.00 0.00 0.00 175.10 175.44 2guf s SER 545 N 0.49 5.42 -0.01 3.32 0.01 -1.26 -1.36 113.70 120.31 2guf s SER 545 Ca -0.07 0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.31 2guf s SER 545 Cb -0.11 -1.76 -0.00 0.00 0.21 0.00 0.00 66.02 64.36 2guf s SER 545 CO 0.01 0.27 -0.06 -0.76 0.41 0.00 0.00 173.24 173.11 2guf s LEU 546 N -0.24 1.95 -0.02 2.44 1.43 -0.01 -4.91 118.68 119.31 2guf s LEU 546 Ca 0.07 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 2guf s LEU 546 Cb -0.12 -0.31 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 2guf s LEU 546 CO 0.02 0.06 -0.24 0.26 0.23 0.00 0.00 176.35 176.67 2guf s TRP 547 N -0.04 2.38 0.10 0.29 0.52 -1.26 -0.96 118.94 119.97 2guf s TRP 547 Ca 0.01 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 55.80 2guf s TRP 547 Cb -0.03 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 2guf s TRP 547 CO -0.00 -0.01 -0.19 -0.51 0.02 0.00 0.00 176.95 176.25 2guf s ASP 548 N -0.62 2.34 -0.10 2.95 1.01 0.17 -0.34 116.67 122.08 2guf s ASP 548 Ca 0.10 -0.68 0.02 0.00 0.71 0.00 0.00 52.55 52.70 2guf s ASP 548 Cb -0.10 -0.12 0.02 0.00 1.01 0.00 0.00 42.92 43.73 2guf s ASP 548 CO -0.01 0.02 -0.14 -0.22 0.21 0.00 0.00 175.17 175.04 2guf s LEU 549 N -1.89 1.66 0.07 1.23 2.96 0.29 -1.19 118.68 121.82 2guf s LEU 549 Ca 0.05 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2guf s LEU 549 Cb -0.10 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 2guf s LEU 549 CO 0.04 0.01 -0.22 0.00 -1.32 0.00 0.00 176.35 174.85 2guf s ALA 550 N 1.00 1.91 0.01 5.97 0.00 0.69 0.26 121.76 131.60 2guf s ALA 550 Ca -0.07 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 2guf s ALA 550 Cb -0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2guf s ALA 550 CO -0.01 0.42 0.10 0.54 0.00 0.00 0.00 175.76 176.80 2guf s VAL 551 N -0.95 0.10 -0.01 0.00 0.11 0.11 -1.29 120.40 118.46 2guf s VAL 551 Ca 0.08 -0.79 -0.02 0.00 -2.93 0.00 0.00 61.98 58.33 2guf s VAL 551 Cb -0.09 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 2guf s VAL 551 CO 0.03 -0.44 0.04 0.00 -3.33 0.00 0.00 175.10 171.40 2guf s ALA 552 N -1.57 -0.09 -0.02 1.54 0.00 -0.43 -0.54 121.76 120.66 2guf s ALA 552 Ca -0.14 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2guf s ALA 552 Cb -0.07 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2guf s ALA 552 CO 0.00 -0.05 -0.01 -0.47 0.00 0.00 0.00 175.76 175.23 2guf s TYR 553 N -0.26 0.36 -0.97 0.00 5.04 0.81 -0.90 117.35 121.43 2guf s TYR 553 Ca -0.03 -0.04 -0.23 0.00 -2.44 0.00 0.00 57.07 54.33 2guf s TYR 553 Cb -0.02 -0.39 0.05 0.00 0.35 0.00 0.00 41.96 41.95 2guf s TYR 553 CO -0.00 -0.11 1.41 -1.25 -1.34 0.00 0.00 175.55 174.26 2guf s PRO 554 N 0.74 3.53 0.13 4.97 0.04 -1.26 -1.13 135.00 142.02 2guf s PRO 554 Ca -0.08 -1.03 -0.21 0.00 0.04 0.00 0.00 61.00 59.73 2guf s PRO 554 Cb -0.11 -5.17 -0.02 0.00 0.04 0.00 0.00 34.50 29.25 2guf s PRO 554 CO -0.01 -2.18 1.69 0.28 0.04 0.00 0.00 177.00 176.82 2guf h VAL 555 N 6.64 0.70 -4.85 -0.36 2.07 -1.06 -3.44 116.25 115.95 2guf h VAL 555 Ca 0.13 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 67.10 2guf h VAL 555 Cb 1.02 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 31.37 2guf h VAL 555 CO 1.39 0.00 -0.44 0.35 0.02 0.00 0.00 177.57 178.89 2guf n THR 556 N -5.25 0.00 0.20 2.57 -2.24 -0.90 -4.97 114.28 103.70 2guf n THR 556 Ca -0.02 -2.21 0.04 0.00 -2.27 0.00 0.00 64.05 59.58 2guf n THR 556 Cb 0.17 0.67 0.42 0.00 -2.10 0.00 0.00 70.33 69.49 2guf n THR 556 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2guf h SER 557 N 1.38 0.00 0.72 3.42 4.64 -2.00 -3.13 113.55 118.59 2guf h SER 557 Ca -0.33 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.77 2guf h SER 557 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 2guf h SER 557 CO 0.53 0.32 -1.40 0.45 -0.87 0.00 0.00 176.83 175.85 2guf h HIS 558 N 0.00 0.00 -3.45 4.77 3.86 -1.94 -3.47 115.15 114.92 2guf h HIS 558 Ca -0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.54 2guf h HIS 558 Cb 0.59 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 28.78 2guf h HIS 558 CO 0.00 0.81 -0.72 -1.17 0.86 0.00 0.00 177.93 177.71 2guf s LEU 559 N -6.10 3.09 -0.07 2.43 1.98 -1.18 -1.11 118.68 117.71 2guf s LEU 559 Ca -0.02 -0.55 0.03 0.00 -2.89 0.00 0.00 54.13 50.69 2guf s LEU 559 Cb 0.08 -1.74 -0.02 0.00 0.66 0.00 0.00 46.19 45.18 2guf s LEU 559 CO 0.81 -0.07 -0.16 -0.89 -1.89 0.00 0.00 176.35 174.15 2guf s THR 560 N 1.44 2.83 -0.05 3.68 2.01 -0.53 -0.35 115.64 124.67 2guf s THR 560 Ca 0.04 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.31 2guf s THR 560 Cb -0.15 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2guf s THR 560 CO -0.03 0.57 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 2guf s VAL 561 N -0.29 2.49 0.03 3.82 1.01 -0.28 -0.53 120.40 126.64 2guf s VAL 561 Ca 0.02 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2guf s VAL 561 Cb -0.13 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2guf s VAL 561 CO 0.03 0.58 -0.11 -0.13 0.00 0.00 0.00 175.10 175.46 2guf s ARG 562 N -0.44 0.75 0.05 2.72 0.52 0.48 -0.13 118.95 122.90 2guf s ARG 562 Ca 0.05 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 2guf s ARG 562 Cb -0.12 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.61 2guf s ARG 562 CO 0.01 0.17 -0.03 0.20 0.02 0.00 0.00 175.30 175.67 2guf s GLY 563 N -0.94 0.49 -0.13 -3.53 0.00 0.30 -0.88 107.32 102.64 2guf s GLY 563 Ca -0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 2guf s GLY 563 CO 0.01 -1.30 0.33 1.25 0.00 0.00 0.00 173.10 173.39 2guf s LYS 564 N -3.77 0.38 -0.28 2.90 2.20 0.14 -0.71 119.74 120.60 2guf s LYS 564 Ca 0.06 0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 56.11 2guf s LYS 564 Cb 0.07 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2guf s LYS 564 CO -0.09 -0.06 0.02 0.42 -0.36 0.00 0.00 175.35 175.28 2guf s ILE 565 N 0.30 3.39 -0.03 5.43 1.01 0.14 -0.48 121.20 130.96 2guf s ILE 565 Ca -0.01 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 2guf s ILE 565 Cb -0.03 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2guf s ILE 565 CO -0.01 0.07 0.37 0.00 0.00 0.00 0.00 174.94 175.37 2guf s ALA 566 N 1.39 3.71 -1.05 9.38 0.00 0.68 -0.55 121.76 135.32 2guf s ALA 566 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 2guf s ALA 566 Cb -0.18 -2.34 -0.07 0.00 0.00 0.00 0.00 23.12 20.53 2guf s ALA 566 CO -0.01 0.45 0.92 -1.71 0.00 0.00 0.00 175.76 175.42 2guf n ASN 567 N 2.04 -6.66 -0.32 0.00 2.85 -0.33 -1.24 115.26 111.60 2guf n ASN 567 Ca -0.14 -0.71 0.16 0.00 -0.11 0.00 0.00 54.58 53.78 2guf n ASN 567 Cb 0.53 -5.22 0.36 0.00 1.24 0.00 0.00 39.78 36.69 2guf n ASN 567 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2guf h LEU 568 N -1.08 0.38 -2.47 1.20 5.85 -0.88 -1.51 115.31 116.81 2guf h LEU 568 Ca -0.61 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2guf h LEU 568 Cb 1.31 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.48 2guf h LEU 568 CO 0.44 -0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.99 2guf n PHE 569 N -5.05 1.18 -2.55 1.25 3.01 -1.26 -4.91 117.46 109.13 2guf n PHE 569 Ca 0.25 -0.45 -0.16 0.00 1.01 0.00 0.00 57.45 58.10 2guf n PHE 569 Cb 0.75 -0.24 -0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2guf n PHE 569 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2guf n ASP 570 N 0.70 -4.43 -4.66 4.37 2.03 -0.57 -4.86 116.55 109.13 2guf n ASP 570 Ca 0.19 0.07 -0.42 0.00 0.52 0.00 0.00 54.79 55.15 2guf n ASP 570 Cb 0.73 -3.72 -0.03 0.00 -0.72 0.00 0.00 41.12 37.39 2guf n ASP 570 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2guf s LYS 571 N -5.16 4.14 -0.10 -0.67 2.47 -1.26 -4.63 119.74 114.53 2guf s LYS 571 Ca 0.05 2.60 -0.15 0.00 -1.56 0.00 0.00 55.97 56.92 2guf s LYS 571 Cb -0.03 -4.10 -0.05 0.00 -1.46 0.00 0.00 37.83 32.19 2guf s LYS 571 CO 0.07 -0.94 0.36 -0.51 0.16 0.00 0.00 175.35 174.48 2guf s ASP 572 N 4.24 6.60 0.00 1.43 1.01 -1.26 -4.49 116.67 124.20 2guf s ASP 572 Ca 0.87 0.71 0.00 0.00 0.71 0.00 0.00 52.55 54.84 2guf s ASP 572 Cb -0.43 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2guf s ASP 572 CO 0.41 0.16 0.00 0.00 0.21 0.00 0.00 175.17 175.95 2guf n TYR 573 N 3.00 0.00 -2.07 4.23 0.18 -1.26 -5.15 117.16 116.09 2guf n TYR 573 Ca -0.12 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.66 2guf n TYR 573 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2guf n TYR 573 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2guf n ALA 582 N -0.32 -0.01 -1.30 -3.48 0.00 -1.26 -5.21 120.51 108.92 2guf n ALA 582 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2guf n ALA 582 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2guf n ALA 582 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2guf n GLY 583 N -0.94 0.62 3.69 0.00 0.00 -1.26 -4.89 105.19 102.41 2guf n GLY 583 Ca -0.00 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2guf n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2guf s ARG 584 N 1.06 4.21 0.05 1.61 3.52 -1.25 -4.74 118.95 123.41 2guf s ARG 584 Ca 0.00 2.28 0.06 0.00 -0.13 0.00 0.00 55.73 57.95 2guf s ARG 584 Cb 0.00 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2guf s ARG 584 CO 0.00 -0.72 -0.17 -1.21 -0.81 0.00 0.00 175.30 172.39 2guf s GLU 585 N 2.68 1.10 0.10 5.12 2.02 -0.37 -5.00 118.70 124.34 2guf s GLU 585 Ca 0.73 -0.91 0.07 0.00 0.02 0.00 0.00 54.97 54.89 2guf s GLU 585 Cb -0.39 -1.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 2guf s GLU 585 CO 0.32 0.29 -0.13 0.71 0.02 0.00 0.00 175.26 176.46 2guf s TYR 586 N -0.93 2.66 0.06 1.61 1.51 -1.26 -0.23 117.35 120.77 2guf s TYR 586 Ca 0.04 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2guf s TYR 586 Cb -0.09 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 2guf s TYR 586 CO 0.02 0.39 -0.05 -0.08 -1.11 0.00 0.00 175.55 174.72 2guf s THR 587 N -1.14 0.46 -0.12 -0.71 -1.32 0.37 -1.21 115.64 111.96 2guf s THR 587 Ca 0.19 -1.57 -0.06 0.00 -1.21 0.00 0.00 61.69 59.04 2guf s THR 587 Cb -0.11 -1.21 0.05 0.00 -1.51 0.00 0.00 72.50 69.73 2guf s THR 587 CO 0.11 -0.75 0.27 -0.22 -2.21 0.00 0.00 174.62 171.83 2guf s LEU 588 N -2.47 0.13 0.23 9.08 0.20 -0.24 -0.68 118.68 124.94 2guf s LEU 588 Ca 0.02 0.59 -0.11 0.00 0.69 0.00 0.00 54.13 55.32 2guf s LEU 588 Cb 0.00 0.80 -0.01 0.00 -0.43 0.00 0.00 46.19 46.56 2guf s LEU 588 CO -0.04 -0.19 0.42 -0.94 -0.29 0.00 0.00 176.35 175.30 2guf s SER 589 N 1.63 -0.06 -0.01 3.68 1.04 -0.05 -0.43 113.70 119.50 2guf s SER 589 Ca -0.06 -0.96 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 2guf s SER 589 Cb -0.11 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.57 2guf s SER 589 CO -0.09 -1.08 0.24 -0.83 0.98 0.00 0.00 173.24 172.46 2guf s GLY 590 N -3.02 -0.07 -0.00 7.32 0.00 -0.57 -0.39 107.32 110.58 2guf s GLY 590 Ca 0.23 0.13 0.04 0.00 0.00 0.00 0.00 44.72 45.13 2guf s GLY 590 CO 0.08 -0.05 -0.14 -0.56 0.00 0.00 0.00 173.10 172.43 2guf s SER 591 N -1.37 1.61 -0.25 1.64 0.01 0.31 -2.03 113.70 113.62 2guf s SER 591 Ca -0.14 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 56.87 2guf s SER 591 Cb -0.06 -0.17 0.06 0.00 0.21 0.00 0.00 66.02 66.06 2guf s SER 591 CO 0.03 0.15 -0.11 -0.47 0.41 0.00 0.00 173.24 173.25 2guf s TYR 592 N -0.39 3.17 -0.03 2.43 5.04 0.94 -1.46 117.35 127.05 2guf s TYR 592 Ca 0.05 -2.23 -0.19 0.00 -2.44 0.00 0.00 57.07 52.26 2guf s TYR 592 Cb -0.06 -1.90 -0.05 0.00 0.35 0.00 0.00 41.96 40.30 2guf s TYR 592 CO -0.00 -0.87 0.53 0.99 -1.34 0.00 0.00 175.55 174.86 2guf s THR 593 N 1.14 5.00 -2.00 4.34 2.01 -0.27 -1.18 115.64 124.68 2guf s THR 593 Ca -0.08 1.10 0.30 0.00 0.31 0.00 0.00 61.69 63.32 2guf s THR 593 Cb -0.19 -3.86 0.84 0.00 0.01 0.00 0.00 72.50 69.29 2guf s THR 593 CO -0.06 0.42 2.10 0.49 -0.69 0.00 0.00 174.62 176.88