#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inn s LYS 6 N 0.00 4.17 0.35 0.38 3.01 -1.26 -5.06 119.74 121.33 2inn s LYS 6 Ca 0.00 2.48 0.09 0.00 -1.01 0.00 0.00 55.97 57.53 2inn s LYS 6 Cb 0.00 -3.17 -0.06 0.00 -1.01 0.00 0.00 37.83 33.59 2inn s LYS 6 CO 0.00 -0.69 -0.07 0.95 0.51 0.00 0.00 175.35 176.05 2inn s THR 7 N 1.31 2.27 0.05 2.17 -4.23 -1.26 -5.12 115.64 110.83 2inn s THR 7 Ca 0.73 -2.15 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 2inn s THR 7 Cb -0.46 -2.70 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 2inn s THR 7 CO 0.32 -0.18 0.56 0.21 -0.54 0.00 0.00 174.62 174.99 2inn s ASN 8 N -3.64 7.03 0.49 3.99 2.47 -1.26 -5.09 114.94 118.92 2inn s ASN 8 Ca 0.33 1.22 0.05 0.00 0.42 0.00 0.00 52.86 54.88 2inn s ASN 8 Cb 0.03 -2.35 -0.01 0.00 -1.45 0.00 0.00 41.25 37.46 2inn s ASN 8 CO 0.17 0.25 0.17 -0.94 -3.72 0.00 0.00 177.10 173.03 2inn s SER 9 N -0.93 4.34 -0.01 -4.21 1.04 -1.26 -5.15 113.70 107.52 2inn s SER 9 Ca 0.29 -1.36 0.01 0.00 0.48 0.00 0.00 55.95 55.37 2inn s SER 9 Cb -0.19 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2inn s SER 9 CO 0.18 -0.81 -0.02 -0.69 0.98 0.00 0.00 173.24 172.88 2inn s VAL 10 N -2.76 0.18 -0.07 5.02 1.01 -1.26 -5.12 120.40 117.41 2inn s VAL 10 Ca 0.26 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2inn s VAL 10 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 2inn s VAL 10 CO 0.15 0.06 1.30 -1.61 0.00 0.00 0.00 175.10 175.00 2inn s GLU 11 N 0.08 4.29 0.05 2.72 0.41 -1.26 -5.02 118.70 119.98 2inn s GLU 11 Ca -0.01 1.78 -0.19 0.00 -0.41 0.00 0.00 54.97 56.15 2inn s GLU 11 Cb -0.03 -3.63 -0.06 0.00 -1.78 0.00 0.00 34.13 28.63 2inn s GLU 11 CO -0.00 -0.57 0.55 -1.25 -0.49 0.00 0.00 175.26 173.50 2inn s PRO 12 N 2.67 4.18 0.14 0.39 0.04 -1.26 -5.01 135.00 136.15 2inn s PRO 12 Ca 0.59 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 2inn s PRO 12 Cb -0.26 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.04 2inn s PRO 12 CO 0.22 0.61 1.66 0.82 0.04 0.00 0.00 177.00 180.35 2inn h ILE 13 N 3.64 0.55 -4.75 0.56 2.04 -2.03 -3.46 117.51 114.06 2inn h ILE 13 Ca -0.49 0.00 -0.43 0.00 1.00 0.00 0.00 64.86 64.94 2inn h ILE 13 Cb 1.21 0.55 -0.14 0.00 -0.74 0.00 0.00 36.82 37.71 2inn h ILE 13 CO 0.64 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 178.27 2inn s ARG 14 N -6.15 1.65 -0.21 2.37 1.70 -1.26 -5.08 118.95 111.97 2inn s ARG 14 Ca -0.14 -1.94 0.11 0.00 -0.47 0.00 0.00 55.73 53.28 2inn s ARG 14 Cb 0.12 0.28 -0.22 0.00 -0.57 0.00 0.00 34.95 34.55 2inn s ARG 14 CO 0.68 -0.59 0.01 0.72 -1.08 0.00 0.00 175.30 175.04 2inn n HIS 15 N -0.56 0.10 -3.23 5.89 8.25 -1.26 -5.02 115.22 119.39 2inn n HIS 15 Ca 0.06 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2inn n HIS 15 Cb 0.63 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2inn n HIS 15 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2inn n THR 16 N -2.97 0.00 -2.64 1.59 5.66 -1.26 -4.53 114.28 110.13 2inn n THR 16 Ca -0.37 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.36 2inn n THR 16 Cb 1.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 2inn n THR 16 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2inn s TYR 17 N -0.89 3.50 0.14 1.09 1.51 -1.26 -4.88 117.35 116.57 2inn s TYR 17 Ca 0.00 0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 56.66 2inn s TYR 17 Cb 0.00 -2.35 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 2inn s TYR 17 CO 0.00 -0.35 1.65 0.78 -1.11 0.00 0.00 175.55 176.53 2inn h GLY 18 N 0.19 0.78 0.89 0.71 0.00 -2.01 0.97 103.07 104.60 2inn h GLY 18 Ca -0.47 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.40 2inn h GLY 18 CO 0.61 0.45 0.16 1.12 0.00 0.00 0.00 176.54 178.88 2inn h HIS 19 N 0.61 0.30 0.44 5.60 -0.00 -1.95 0.23 115.15 120.38 2inn h HIS 19 Ca 0.15 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 2inn h HIS 19 Cb 0.30 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2inn h HIS 19 CO 0.02 0.17 -0.21 0.82 -0.00 0.00 0.00 177.93 178.72 2inn h ILE 20 N 0.33 0.53 -1.00 6.12 1.08 -1.62 -1.53 117.51 121.42 2inn h ILE 20 Ca 0.12 -0.30 0.30 0.00 -0.39 0.00 0.00 64.86 64.60 2inn h ILE 20 Cb 0.02 0.67 -0.14 0.00 -3.07 0.00 0.00 36.82 34.30 2inn h ILE 20 CO -0.07 0.05 0.58 0.00 -0.69 0.00 0.00 178.15 178.02 2inn h ALA 21 N -0.32 1.92 -0.60 1.87 0.00 0.97 0.26 119.26 123.36 2inn h ALA 21 Ca -0.06 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2inn h ALA 21 Cb 0.54 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2inn h ALA 21 CO 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 179.25 178.86 2inn h ARG 22 N 0.39 1.05 0.03 0.00 3.08 -0.06 -1.12 114.38 117.74 2inn h ARG 22 Ca 0.71 -0.33 -0.26 0.00 0.07 0.00 0.00 59.98 60.18 2inn h ARG 22 Cb 1.57 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.49 2inn h ARG 22 CO -0.57 1.02 -1.32 -0.09 -1.07 0.00 0.00 179.97 177.94 2inn h ARG 23 N 0.95 0.07 0.00 0.04 2.43 0.12 -3.41 114.38 114.58 2inn h ARG 23 Ca 0.17 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2inn h ARG 23 Cb 0.54 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2inn h ARG 23 CO 0.03 0.89 0.00 1.19 -1.51 0.00 0.00 179.97 180.57 2inn n PHE 24 N -3.29 0.00 0.00 2.20 3.01 0.68 -5.09 117.46 114.96 2inn n PHE 24 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2inn n PHE 24 Cb 1.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.47 2inn n PHE 24 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2inn n GLY 25 N 0.33 2.56 1.64 1.37 0.00 -0.43 -4.79 105.19 105.87 2inn n GLY 25 Ca 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 46.02 43.87 2inn n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2inn n ASP 26 N 0.00 5.40 -4.73 1.61 2.03 -1.26 -4.15 116.55 115.45 2inn n ASP 26 Ca 0.00 -2.47 -0.25 0.00 0.52 0.00 0.00 54.79 52.60 2inn n ASP 26 Cb 0.00 -1.19 -0.07 0.00 -0.72 0.00 0.00 41.12 39.14 2inn n ASP 26 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2inn s LYS 27 N 0.10 2.22 0.62 -0.67 -2.85 -1.26 -4.62 119.74 113.27 2inn s LYS 27 Ca 0.17 -1.81 -0.19 0.00 -1.00 0.00 0.00 55.97 53.13 2inn s LYS 27 Cb 0.09 -1.99 -0.02 0.00 -2.06 0.00 0.00 37.83 33.84 2inn s LYS 27 CO -0.00 -0.07 1.30 -2.14 0.10 0.00 0.00 175.35 174.53 2inn s PRO 28 N -3.88 2.74 0.44 1.78 0.02 -1.26 -4.39 135.00 130.44 2inn s PRO 28 Ca 0.40 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.55 2inn s PRO 28 Cb 0.03 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 2inn s PRO 28 CO 0.22 -1.45 0.11 0.00 -0.33 0.00 0.00 177.00 175.55 2inn s ALA 29 N -1.40 3.59 0.57 -1.55 0.00 -1.26 -5.03 121.76 116.68 2inn s ALA 29 Ca 0.80 -1.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 2inn s ALA 29 Cb -0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2inn s ALA 29 CO 0.40 -0.15 0.90 0.95 0.00 0.00 0.00 175.76 177.86 2inn s THR 30 N -2.70 4.14 0.15 0.00 -4.23 -1.26 -4.91 115.64 106.83 2inn s THR 30 Ca 0.33 0.21 -0.27 0.00 -1.18 0.00 0.00 61.69 60.77 2inn s THR 30 Cb 0.05 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 2inn s THR 30 CO 0.18 -0.68 1.58 0.03 -0.54 0.00 0.00 174.62 175.19 2inn h ARG 31 N -0.12 -0.37 -0.41 3.99 2.47 -1.99 -2.69 114.38 115.26 2inn h ARG 31 Ca -0.46 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.37 2inn h ARG 31 Cb 1.23 0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 29.55 2inn h ARG 31 CO 0.61 -0.25 -0.16 -0.92 0.56 0.00 0.00 179.97 179.82 2inn h TYR 32 N -0.39 -0.37 -0.52 3.04 3.20 -1.94 -1.88 116.97 118.11 2inn h TYR 32 Ca 0.11 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.11 2inn h TYR 32 Cb 0.59 0.23 -0.10 0.00 1.54 0.00 0.00 36.73 38.99 2inn h TYR 32 CO -0.54 -0.24 -0.44 1.96 -1.64 0.00 0.00 178.16 177.26 2inn h GLN 33 N -0.07 -0.25 0.00 1.82 4.20 -1.88 -1.64 115.11 117.28 2inn h GLN 33 Ca 0.20 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2inn h GLN 33 Cb 0.38 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2inn h GLN 33 CO -0.46 -0.17 0.00 0.93 -0.67 0.00 0.00 178.83 178.46 2inn h GLU 34 N -0.26 0.00 -0.01 1.46 5.08 -1.09 -2.89 114.58 116.86 2inn h GLU 34 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2inn h GLU 34 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2inn h GLU 34 CO -0.65 0.00 -0.63 0.00 -1.00 0.00 0.00 179.01 176.73 2inn n ALA 35 N -1.85 3.92 0.00 3.43 0.00 -0.69 -4.66 120.51 120.66 2inn n ALA 35 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2inn n ALA 35 Cb 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2inn n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2inn n SER 36 N -0.63 0.35 -4.23 0.00 7.64 -0.80 -5.00 113.62 110.94 2inn n SER 36 Ca 0.08 -0.20 -0.32 0.00 1.01 0.00 0.00 58.87 59.43 2inn n SER 36 Cb 0.41 0.47 -0.17 0.00 -1.01 0.00 0.00 64.21 63.91 2inn n SER 36 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2inn s TYR 37 N -0.54 2.61 -1.44 1.43 1.51 -1.20 -2.76 117.35 116.96 2inn s TYR 37 Ca 0.00 -1.03 -0.10 0.00 -1.01 0.00 0.00 57.07 54.93 2inn s TYR 37 Cb 0.00 -1.74 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 2inn s TYR 37 CO 0.00 -0.42 1.04 -0.25 -1.11 0.00 0.00 175.55 174.81 2inn n ASP 38 N 3.59 -5.80 -0.14 2.29 8.00 -1.26 -4.84 116.55 118.39 2inn n ASP 38 Ca -0.19 -0.58 -0.25 0.00 0.71 0.00 0.00 54.79 54.48 2inn n ASP 38 Cb 0.53 -4.60 -0.11 0.00 -0.02 0.00 0.00 41.12 36.92 2inn n ASP 38 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2inn n ILE 39 N -4.82 1.51 -1.62 0.53 2.08 -1.26 -4.96 119.36 110.80 2inn n ILE 39 Ca 0.01 -0.46 -0.32 0.00 0.56 0.00 0.00 62.75 62.53 2inn n ILE 39 Cb 0.55 -1.68 0.06 0.00 -0.75 0.00 0.00 39.64 37.82 2inn n ILE 39 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2inn s GLU 40 N -2.51 2.72 0.40 0.38 8.01 -1.26 -5.01 118.70 121.42 2inn s GLU 40 Ca -0.37 1.25 -0.26 0.00 0.01 0.00 0.00 54.97 55.60 2inn s GLU 40 Cb 0.12 -1.95 -0.09 0.00 -4.31 0.00 0.00 34.13 27.91 2inn s GLU 40 CO 0.53 -1.30 1.21 0.00 0.01 0.00 0.00 175.26 175.72 2inn s ALA 41 N -2.60 3.20 0.00 5.21 0.00 -1.26 -4.95 121.76 121.36 2inn s ALA 41 Ca 0.64 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2inn s ALA 41 Cb -0.18 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2inn s ALA 41 CO 0.47 -0.61 0.00 1.63 0.00 0.00 0.00 175.76 177.25 2inn n LYS 42 N 0.15 1.86 -4.05 0.00 5.02 -1.26 -4.97 118.16 114.91 2inn n LYS 42 Ca 0.04 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 2inn n LYS 42 Cb 0.45 -0.85 -0.06 0.00 -0.02 0.00 0.00 35.03 34.55 2inn n LYS 42 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2inn s THR 43 N -1.71 0.00 -1.23 -0.18 -1.32 -1.26 -4.97 115.64 104.98 2inn s THR 43 Ca 0.00 -1.55 -0.01 0.00 -1.21 0.00 0.00 61.69 58.92 2inn s THR 43 Cb 0.00 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.60 2inn s THR 43 CO 0.00 0.00 0.15 0.59 -2.21 0.00 0.00 174.62 173.15 2inn n ASN 44 N -0.66 -4.64 -4.66 8.08 3.02 -1.26 -4.99 115.26 110.15 2inn n ASN 44 Ca -0.00 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.09 2inn n ASN 44 Cb 0.62 -3.68 0.06 0.00 -0.61 0.00 0.00 39.78 36.17 2inn n ASN 44 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2inn n PHE 45 N -4.06 1.31 0.11 3.10 3.01 -1.26 -4.96 117.46 114.71 2inn n PHE 45 Ca -0.15 0.43 0.03 0.00 1.01 0.00 0.00 57.45 58.78 2inn n PHE 45 Cb 0.62 -2.20 -0.00 0.00 -0.01 0.00 0.00 39.48 37.89 2inn n PHE 45 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2inn h HIS 46 N 0.63 0.00 -2.58 1.38 3.86 -2.02 -3.48 115.15 112.95 2inn h HIS 46 Ca -0.49 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.62 2inn h HIS 46 Cb 1.35 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.60 2inn h HIS 46 CO 0.39 0.45 -0.12 0.71 0.86 0.00 0.00 177.93 180.23 2inn s TYR 47 N -3.00 -0.46 0.43 2.45 1.51 -1.26 -5.15 117.35 111.88 2inn s TYR 47 Ca 0.02 0.99 -0.19 0.00 -1.01 0.00 0.00 57.07 56.87 2inn s TYR 47 Cb 0.08 0.20 -0.10 0.00 -0.11 0.00 0.00 41.96 42.03 2inn s TYR 47 CO 0.76 -0.36 0.92 1.03 -1.11 0.00 0.00 175.55 176.79 2inn s ARG 48 N -0.46 4.12 0.11 -0.62 1.81 -1.26 -4.73 118.95 117.92 2inn s ARG 48 Ca -0.06 1.00 -0.35 0.00 -1.72 0.00 0.00 55.73 54.60 2inn s ARG 48 Cb -0.03 -2.21 -0.15 0.00 -0.45 0.00 0.00 34.95 32.11 2inn s ARG 48 CO 0.03 -0.06 1.50 -2.30 -0.68 0.00 0.00 175.30 173.80 2inn n PRO 49 N -0.83 1.72 0.00 3.54 -0.01 -1.26 -4.85 135.00 133.32 2inn n PRO 49 Ca 0.06 0.62 0.10 0.00 -0.01 0.00 0.00 63.50 64.28 2inn n PRO 49 Cb 0.54 -2.34 0.46 0.00 -0.01 0.00 0.00 33.50 32.14 2inn n PRO 49 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 2inn n GLN 50 N 3.25 0.03 -0.14 -0.52 6.02 -1.26 -3.22 117.38 121.54 2inn n GLN 50 Ca 0.18 0.13 0.05 0.00 -0.01 0.00 0.00 57.00 57.36 2inn n GLN 50 Cb 0.24 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.12 2inn n GLN 50 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 2inn n TRP 51 N -1.48 0.29 -3.60 1.08 4.27 -1.26 -4.91 117.44 111.84 2inn n TRP 51 Ca 0.06 -0.69 -0.03 0.00 -3.89 0.00 0.00 57.50 52.95 2inn n TRP 51 Cb 0.24 -0.12 -0.05 0.00 -1.36 0.00 0.00 31.31 30.02 2inn n TRP 51 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2inn s ASP 52 N -1.61 -0.91 0.00 -0.67 2.15 -1.20 -5.03 116.67 109.40 2inn s ASP 52 Ca 0.21 1.34 0.26 0.00 0.43 0.00 0.00 52.55 54.78 2inn s ASP 52 Cb 0.16 2.03 0.64 0.00 -0.30 0.00 0.00 42.92 45.45 2inn s ASP 52 CO 0.06 -0.23 1.51 -1.54 -0.17 0.00 0.00 175.17 174.80 2inn n SER 53 N 5.43 0.45 0.05 -0.34 3.41 -1.26 -4.24 113.62 117.13 2inn n SER 53 Ca -0.10 -0.18 0.04 0.00 -0.26 0.00 0.00 58.87 58.38 2inn n SER 53 Cb 0.49 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 2inn n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2inn n GLU 54 N -1.45 0.62 -3.86 4.33 -0.58 -1.26 -4.98 120.64 113.47 2inn n GLU 54 Ca 0.06 0.16 -0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2inn n GLU 54 Cb 0.34 -1.80 -0.14 0.00 -0.57 0.00 0.00 31.44 29.27 2inn n GLU 54 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2inn s HIS 55 N -3.10 -0.05 1.28 -0.32 3.76 -1.26 -5.09 115.29 110.51 2inn s HIS 55 Ca -0.02 0.11 -0.17 0.00 -0.15 0.00 0.00 55.06 54.82 2inn s HIS 55 Cb 0.09 0.02 0.30 0.00 1.11 0.00 0.00 32.58 34.10 2inn s HIS 55 CO 0.81 -0.02 0.81 0.25 -0.85 0.00 0.00 174.74 175.74 2inn n THR 56 N 3.06 0.00 -1.79 1.30 -2.24 -1.26 -4.39 114.28 108.96 2inn n THR 56 Ca -0.12 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 2inn n THR 56 Cb 0.60 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.92 2inn n THR 56 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2inn s LEU 57 N -6.42 4.16 -0.90 3.22 1.02 -1.26 -4.18 118.68 114.31 2inn s LEU 57 Ca 0.65 2.97 -0.04 0.00 0.02 0.00 0.00 54.13 57.72 2inn s LEU 57 Cb -0.19 -3.87 -0.03 0.00 0.02 0.00 0.00 46.19 42.13 2inn s LEU 57 CO 0.61 -1.12 0.78 0.59 0.02 0.00 0.00 176.35 177.24 2inn n ASN 58 N -0.05 -6.96 -4.06 2.29 4.13 -1.26 -4.96 115.26 104.40 2inn n ASN 58 Ca 0.04 -0.45 -0.32 0.00 1.68 0.00 0.00 54.58 55.53 2inn n ASN 58 Cb 0.41 -4.86 -0.16 0.00 -1.54 0.00 0.00 39.78 33.64 2inn n ASN 58 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2inn s ASP 59 N -3.19 3.72 0.53 6.41 -1.08 -1.26 -4.95 116.67 116.85 2inn s ASP 59 Ca 0.22 -1.02 0.24 0.00 -0.52 0.00 0.00 52.55 51.47 2inn s ASP 59 Cb -0.04 -1.42 1.31 0.00 -1.46 0.00 0.00 42.92 41.31 2inn s ASP 59 CO 0.77 -0.12 1.70 -0.65 0.52 0.00 0.00 175.17 177.39 2inn h PRO 60 N 7.89 0.00 -0.65 4.34 0.10 -1.92 -1.41 132.00 140.34 2inn h PRO 60 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.81 2inn h PRO 60 Cb 1.09 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.19 2inn h PRO 60 CO 0.51 0.00 0.00 0.25 0.10 0.00 0.00 178.00 178.86 2inn n THR 61 N -2.56 1.44 0.41 -1.15 -2.24 -1.26 -3.60 114.28 105.31 2inn n THR 61 Ca -0.02 -1.02 0.05 0.00 -2.27 0.00 0.00 64.05 60.79 2inn n THR 61 Cb 0.33 0.19 0.22 0.00 -2.10 0.00 0.00 70.33 68.97 2inn n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2inn n ARG 62 N 1.15 0.09 -4.36 -0.78 1.74 -0.53 -4.62 116.66 109.35 2inn n ARG 62 Ca 0.23 0.24 -0.19 0.00 -0.77 0.00 0.00 57.85 57.36 2inn n ARG 62 Cb 0.75 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.55 2inn n ARG 62 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2inn s THR 63 N -2.70 1.00 0.27 0.55 -1.32 -1.24 -3.87 115.64 108.34 2inn s THR 63 Ca 0.08 -0.86 0.36 0.00 -1.21 0.00 0.00 61.69 60.06 2inn s THR 63 Cb 0.06 -0.90 0.37 0.00 -1.51 0.00 0.00 72.50 70.53 2inn s THR 63 CO 0.15 0.04 2.09 0.00 -2.21 0.00 0.00 174.62 174.69 2inn h ALA 64 N 5.16 1.00 -2.79 11.08 0.00 -1.89 -3.44 119.26 128.39 2inn h ALA 64 Ca -0.36 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 2inn h ALA 64 Cb 1.18 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.01 2inn h ALA 64 CO 0.45 0.00 0.52 0.42 0.00 0.00 0.00 179.25 180.64 2inn s ILE 65 N -3.85 3.24 0.21 0.00 -1.09 -1.26 -5.02 121.20 113.43 2inn s ILE 65 Ca -0.02 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 2inn s ILE 65 Cb 0.10 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2inn s ILE 65 CO 0.39 0.23 0.01 0.54 -1.23 0.00 0.00 174.94 174.88 2inn n ARG 66 N 0.75 1.41 -0.01 2.79 5.12 -1.26 -4.93 116.66 120.52 2inn n ARG 66 Ca 0.01 -1.57 -0.21 0.00 -1.93 0.00 0.00 57.85 54.14 2inn n ARG 66 Cb 0.45 0.46 -0.13 0.00 -1.16 0.00 0.00 32.46 32.07 2inn n ARG 66 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2inn h GLU 68 N 0.00 0.20 -3.42 5.56 4.39 -2.02 -3.47 114.58 115.82 2inn h GLU 68 Ca -0.18 -0.35 -0.44 0.00 0.34 0.00 0.00 59.36 58.74 2inn h GLU 68 Cb 0.54 0.13 -0.39 0.00 -0.10 0.00 0.00 28.75 28.93 2inn h GLU 68 CO 0.29 1.17 -0.76 0.34 -1.16 0.00 0.00 179.01 178.89 2inn s ASP 69 N -7.00 1.87 0.24 1.42 -1.08 -1.26 -5.01 116.67 105.84 2inn s ASP 69 Ca -0.22 -0.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.54 2inn s ASP 69 Cb 0.05 -0.34 0.26 0.00 -1.46 0.00 0.00 42.92 41.43 2inn s ASP 69 CO 0.73 -0.26 1.59 -0.50 0.52 0.00 0.00 175.17 177.25 2inn h TRP 70 N 8.36 0.46 -1.56 -5.34 4.06 -2.00 -2.51 115.95 117.43 2inn h TRP 70 Ca -0.16 -0.15 0.50 0.00 2.06 0.00 0.00 58.89 61.14 2inn h TRP 70 Cb 1.13 -0.09 -0.12 0.00 -1.00 0.00 0.00 29.16 29.08 2inn h TRP 70 CO 0.37 0.80 1.05 0.00 -3.56 0.00 0.00 178.44 177.10 2inn n ALA 72 N -2.65 0.12 -2.87 0.00 0.00 -0.94 -4.08 120.51 110.08 2inn n ALA 72 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 2inn n ALA 72 Cb 1.69 -0.12 -0.11 0.00 0.00 0.00 0.00 19.45 20.92 2inn n ALA 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2inn s VAL 73 N -2.25 4.58 0.02 0.00 1.01 0.22 -4.85 120.40 119.12 2inn s VAL 73 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2inn s VAL 73 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2inn s VAL 73 CO 0.00 0.44 0.02 -0.44 0.00 0.00 0.00 175.10 175.12 2inn s SER 74 N 0.62 0.22 -0.39 3.32 0.01 -1.26 -4.58 113.70 111.64 2inn s SER 74 Ca 0.02 -0.50 -0.28 0.00 1.31 0.00 0.00 55.95 56.51 2inn s SER 74 Cb -0.13 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.27 2inn s SER 74 CO 0.02 -0.37 1.05 -0.62 0.41 0.00 0.00 173.24 173.73 2inn s ASP 75 N -1.68 6.76 0.49 2.44 -1.08 -1.26 -4.85 116.67 117.49 2inn s ASP 75 Ca -0.12 0.72 0.15 0.00 -0.52 0.00 0.00 52.55 52.78 2inn s ASP 75 Cb -0.07 -2.52 1.18 0.00 -1.46 0.00 0.00 42.92 40.05 2inn s ASP 75 CO -0.02 -1.00 2.09 -0.65 0.52 0.00 0.00 175.17 176.11 2inn h PRO 76 N 8.57 0.15 0.00 4.34 0.11 -1.93 0.20 132.00 143.45 2inn h PRO 76 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2inn h PRO 76 Cb 1.07 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2inn h PRO 76 CO 1.05 0.10 -0.00 0.54 -0.21 0.00 0.00 178.00 179.48 2inn n ARG 77 N -4.49 0.06 -1.89 1.05 1.74 -1.26 -4.93 116.66 106.93 2inn n ARG 77 Ca 0.02 0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 56.95 2inn n ARG 77 Cb 0.20 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 2inn n ARG 77 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2inn n GLN 78 N -1.67 -1.43 -1.89 5.56 6.02 0.70 -4.93 117.38 119.74 2inn n GLN 78 Ca 0.07 1.08 -0.41 0.00 -0.01 0.00 0.00 57.00 57.73 2inn n GLN 78 Cb 0.36 -5.51 -0.03 0.00 1.02 0.00 0.00 30.24 26.08 2inn n GLN 78 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2inn s PHE 79 N -2.82 1.57 0.06 1.08 2.99 -1.26 -4.71 117.98 114.89 2inn s PHE 79 Ca 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 56.93 57.74 2inn s PHE 79 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 43.02 39.03 2inn s PHE 79 CO 0.00 -2.83 0.08 2.48 -0.00 0.00 0.00 175.22 174.95 2inn n TYR 80 N 12.06 -3.44 -0.09 0.36 0.18 -1.26 -4.88 117.16 120.10 2inn n TYR 80 Ca 0.25 -0.12 -0.08 0.00 1.88 0.00 0.00 57.90 59.83 2inn n TYR 80 Cb 0.49 -0.06 -0.00 0.00 -0.38 0.00 0.00 39.34 39.40 2inn n TYR 80 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2inn h TYR 81 N -0.49 0.26 -0.04 -3.48 3.20 -1.95 -1.54 116.97 112.93 2inn h TYR 81 Ca -0.03 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2inn h TYR 81 Cb 0.09 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 2inn h TYR 81 CO 0.00 0.13 0.01 0.78 -1.64 0.00 0.00 178.16 177.45 2inn h GLY 82 N 0.30 0.07 0.46 1.82 0.00 -1.99 0.87 103.07 104.60 2inn h GLY 82 Ca 0.13 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.51 2inn h GLY 82 CO -0.11 0.04 0.29 0.00 0.00 0.00 0.00 176.54 176.76 2inn h ALA 83 N 0.83 0.86 0.60 3.60 0.00 -1.91 0.54 119.26 123.79 2inn h ALA 83 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2inn h ALA 83 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2inn h ALA 83 CO -0.00 -0.12 -0.34 -0.92 0.00 0.00 0.00 179.25 177.88 2inn h TYR 84 N 0.51 -0.89 -0.50 0.00 3.20 -0.31 0.49 116.97 119.47 2inn h TYR 84 Ca 0.32 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 2inn h TYR 84 Cb 0.35 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 2inn h TYR 84 CO -0.13 -0.52 0.23 -0.39 -1.64 0.00 0.00 178.16 175.71 2inn h VAL 85 N -0.86 1.17 -0.14 1.81 -1.51 0.12 -1.47 116.25 115.37 2inn h VAL 85 Ca -0.08 -0.50 0.05 0.00 -1.23 0.00 0.00 66.70 64.94 2inn h VAL 85 Cb 0.68 0.55 -0.07 0.00 -2.13 0.00 0.00 31.29 30.32 2inn h VAL 85 CO 0.10 0.20 -0.39 1.23 -1.23 0.00 0.00 177.57 177.48 2inn h GLY 86 N 0.82 -0.63 0.54 5.19 0.00 0.14 -0.62 103.07 108.50 2inn h GLY 86 Ca 0.17 0.49 0.06 0.00 0.00 0.00 0.00 47.33 48.05 2inn h GLY 86 CO -0.02 -0.22 0.05 -0.57 0.00 0.00 0.00 176.54 175.77 2inn h ASN 87 N -0.46 -0.04 -0.07 0.19 -0.73 0.08 -2.53 115.58 112.02 2inn h ASN 87 Ca 0.08 0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.23 2inn h ASN 87 Cb 0.61 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.28 2inn h ASN 87 CO -0.40 0.02 -0.20 0.03 -0.37 0.00 0.00 177.43 176.51 2inn h ARG 88 N 0.16 0.47 -0.70 6.67 2.47 -1.04 -2.08 114.38 120.32 2inn h ARG 88 Ca 0.17 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2inn h ARG 88 Cb 0.20 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 2inn h ARG 88 CO -0.24 0.65 0.38 0.00 0.56 0.00 0.00 179.97 181.32 2inn h ALA 89 N 1.37 0.90 0.00 0.04 0.00 -0.82 0.27 119.26 121.01 2inn h ALA 89 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2inn h ALA 89 Cb 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2inn h ALA 89 CO 0.04 0.42 0.00 1.17 0.00 0.00 0.00 179.25 180.88 2inn n LYS 90 N -4.49 0.15 0.00 0.00 4.81 -0.78 -2.23 118.16 115.62 2inn n LYS 90 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2inn n LYS 90 Cb 0.10 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.02 2inn n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2inn n GLN 92 N 0.50 0.00 -0.05 1.64 -0.00 0.96 -2.95 117.38 117.48 2inn n GLN 92 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.89 2inn n GLN 92 Cb 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 30.24 30.24 2inn n GLN 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2inn h GLU 93 N 0.00 0.28 -0.82 2.61 4.39 -1.69 -1.19 114.58 118.15 2inn h GLU 93 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2inn h GLU 93 Cb 0.00 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2inn h GLU 93 CO 0.00 0.30 0.49 0.77 -1.16 0.00 0.00 179.01 179.40 2inn h SER 94 N 0.19 1.00 -0.59 1.42 0.02 -1.82 0.39 113.55 114.16 2inn h SER 94 Ca 0.07 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2inn h SER 94 Cb 0.11 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2inn h SER 94 CO -0.01 0.77 0.19 0.00 -1.14 0.00 0.00 176.83 176.64 2inn h ALA 95 N 1.40 1.15 -0.61 3.77 0.00 -1.82 -2.03 119.26 121.11 2inn h ALA 95 Ca 0.30 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2inn h ALA 95 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2inn h ALA 95 CO -0.05 0.59 0.02 0.93 0.00 0.00 0.00 179.25 180.73 2inn h GLU 96 N 0.92 1.07 -0.39 0.00 4.39 0.29 0.26 114.58 121.11 2inn h GLU 96 Ca 0.20 -0.33 0.08 0.00 0.34 0.00 0.00 59.36 59.66 2inn h GLU 96 Cb 0.28 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 2inn h GLU 96 CO -0.01 1.03 -0.15 1.15 -1.16 0.00 0.00 179.01 179.88 2inn h THR 97 N 0.97 0.51 -0.28 1.13 2.02 -0.67 0.04 112.91 116.63 2inn h THR 97 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 2inn h THR 97 Cb 0.54 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2inn h THR 97 CO 0.03 0.00 0.02 0.28 0.37 0.00 0.00 175.52 176.22 2inn h SER 98 N -0.07 0.46 -0.75 4.18 0.02 -0.41 -1.93 113.55 115.06 2inn h SER 98 Ca 0.19 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2inn h SER 98 Cb 0.36 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2inn h SER 98 CO -0.44 0.64 0.35 -0.26 -1.14 0.00 0.00 176.83 175.98 2inn h PHE 99 N 0.27 1.10 0.23 3.45 -1.00 -0.18 -1.37 116.94 119.43 2inn h PHE 99 Ca 0.08 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.82 2inn h PHE 99 Cb 0.39 -0.34 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 2inn h PHE 99 CO 0.03 0.80 -0.40 0.78 -1.61 0.00 0.00 178.31 177.91 2inn h GLY 100 N 1.13 -0.86 0.52 -1.45 0.00 -0.76 -2.89 103.07 98.75 2inn h GLY 100 Ca 0.26 0.47 0.11 0.00 0.00 0.00 0.00 47.33 48.17 2inn h GLY 100 CO -0.03 -0.29 0.58 -2.75 0.00 0.00 0.00 176.54 174.05 2inn h PHE 101 N -0.71 1.06 0.00 5.60 3.57 -1.16 0.49 116.94 125.79 2inn h PHE 101 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2inn h PHE 101 Cb 0.69 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2inn h PHE 101 CO -0.30 0.44 0.00 0.00 -2.23 0.00 0.00 178.31 176.22 2inn n GLU 103 N -1.80 0.28 -0.34 0.00 1.02 0.05 -1.08 120.64 118.77 2inn n GLU 103 Ca 0.02 0.11 0.23 0.00 -0.02 0.00 0.00 57.16 57.50 2inn n GLU 103 Cb 0.13 -0.96 0.47 0.00 -0.02 0.00 0.00 31.44 31.06 2inn n GLU 103 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2inn h LYS 104 N -0.52 0.37 -0.39 3.49 1.57 -1.36 0.17 116.57 119.90 2inn h LYS 104 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2inn h LYS 104 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2inn h LYS 104 CO 0.00 0.25 0.00 0.54 -0.57 0.00 0.00 179.45 179.67 2inn n ARG 105 N -4.95 1.89 -4.33 3.15 5.12 -0.97 -4.95 116.66 111.63 2inn n ARG 105 Ca 0.30 -1.27 -0.39 0.00 -1.93 0.00 0.00 57.85 54.57 2inn n ARG 105 Cb 0.94 -1.32 -0.06 0.00 -1.16 0.00 0.00 32.46 30.86 2inn n ARG 105 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2inn n ASN 106 N 0.50 -2.13 0.03 0.55 3.02 0.60 -4.88 115.26 112.95 2inn n ASN 106 Ca 0.12 -1.07 0.11 0.00 -0.03 0.00 0.00 54.58 53.70 2inn n ASN 106 Cb 0.33 -1.83 0.45 0.00 -0.61 0.00 0.00 39.78 38.12 2inn n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2inn n LEU 107 N -4.02 0.17 -0.04 3.41 4.77 -0.24 -2.24 117.00 118.82 2inn n LEU 107 Ca 0.10 0.53 -0.01 0.00 -0.03 0.00 0.00 56.01 56.61 2inn n LEU 107 Cb 0.46 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 2inn n LEU 107 CO 0.88 -0.20 -0.81 0.18 -1.33 0.00 0.00 177.39 176.11 2inn n LEU 108 N -1.67 0.00 0.02 2.23 4.77 -1.26 -4.50 117.00 116.59 2inn n LEU 108 Ca 0.05 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 2inn n LEU 108 Cb 0.26 0.18 0.43 0.00 -2.33 0.00 0.00 43.42 41.96 2inn n LEU 108 CO 0.20 0.18 0.74 0.35 -1.33 0.00 0.00 177.39 177.53 2inn n THR 109 N -2.26 0.14 0.79 -5.08 -2.24 -1.17 -3.15 114.28 101.31 2inn n THR 109 Ca -0.13 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.70 2inn n THR 109 Cb 0.68 -0.26 0.33 0.00 -2.10 0.00 0.00 70.33 68.97 2inn n THR 109 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2inn n ARG 110 N -1.70 0.14 -2.40 -0.78 1.85 -0.95 -4.89 116.66 107.94 2inn n ARG 110 Ca 0.06 0.07 -0.33 0.00 -1.00 0.00 0.00 57.85 56.65 2inn n ARG 110 Cb 0.37 -1.62 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 2inn n ARG 110 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2inn s LEU 111 N -3.68 3.68 0.31 2.89 1.43 -1.19 -4.97 118.68 117.15 2inn s LEU 111 Ca 0.10 1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 54.64 2inn s LEU 111 Cb 0.16 -4.53 -0.14 0.00 0.03 0.00 0.00 46.19 41.71 2inn s LEU 111 CO 0.65 -0.74 0.99 -1.54 0.23 0.00 0.00 176.35 175.95 2inn n SER 112 N -1.44 1.23 -0.57 2.29 3.41 -1.26 -4.79 113.62 112.49 2inn n SER 112 Ca 0.08 1.15 0.45 0.00 -0.26 0.00 0.00 58.87 60.29 2inn n SER 112 Cb 0.53 -1.29 0.71 0.00 -0.26 0.00 0.00 64.21 63.90 2inn n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2inn n GLU 113 N 0.65 -0.01 0.05 4.33 1.02 -1.26 -1.21 120.64 124.21 2inn n GLU 113 Ca 0.10 1.08 -0.20 0.00 -0.02 0.00 0.00 57.16 58.11 2inn n GLU 113 Cb 0.33 -2.32 -0.14 0.00 -0.02 0.00 0.00 31.44 29.28 2inn n GLU 113 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2inn h GLU 114 N 0.00 0.30 -0.21 3.49 4.39 -2.00 -2.71 114.58 117.84 2inn h GLU 114 Ca 0.86 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2inn h GLU 114 Cb 3.17 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 32.00 2inn h GLU 114 CO -0.19 1.19 0.09 1.15 -1.16 0.00 0.00 179.01 180.09 2inn h THR 115 N 0.08 1.16 -0.55 1.13 2.02 -1.52 -2.62 112.91 112.61 2inn h THR 115 Ca -0.33 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.41 2inn h THR 115 Cb 2.06 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 2inn h THR 115 CO 0.15 0.15 0.31 1.56 0.37 0.00 0.00 175.52 178.06 2inn h GLN 116 N 0.20 0.59 -0.75 6.66 4.20 -1.36 -0.53 115.11 124.11 2inn h GLN 116 Ca 0.07 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.81 2inn h GLN 116 Cb 0.16 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 27.72 2inn h GLN 116 CO -0.01 0.39 -0.44 1.17 -0.67 0.00 0.00 178.83 179.27 2inn n LYS 117 N -4.81 -0.33 -0.24 1.46 3.00 -1.02 -1.08 118.16 115.14 2inn n LYS 117 Ca 0.05 1.16 -0.01 0.00 -0.00 0.00 0.00 58.31 59.51 2inn n LYS 117 Cb 0.11 -1.70 0.05 0.00 0.00 0.00 0.00 35.03 33.49 2inn n LYS 117 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2inn h GLN 118 N 0.00 -0.06 -0.84 1.64 4.20 -0.73 0.43 115.11 119.75 2inn h GLN 118 Ca 0.12 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.88 2inn h GLN 118 Cb 0.31 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 2inn h GLN 118 CO -0.71 -0.04 0.53 -0.07 -0.67 0.00 0.00 178.83 177.88 2inn h LEU 119 N -0.06 0.87 -1.10 1.46 3.38 -0.90 0.46 115.31 119.41 2inn h LEU 119 Ca 0.31 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 2inn h LEU 119 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2inn h LEU 119 CO -0.73 0.58 -0.37 -0.07 0.09 0.00 0.00 178.44 177.94 2inn h LEU 120 N 1.02 0.15 0.00 1.67 3.38 0.13 -1.41 115.31 120.25 2inn h LEU 120 Ca 0.35 -0.05 -0.36 0.00 0.09 0.00 0.00 57.88 57.91 2inn h LEU 120 Cb 0.06 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2inn h LEU 120 CO -0.13 0.51 -2.26 -1.14 0.09 0.00 0.00 178.44 175.50 2inn n ARG 121 N -4.07 0.68 0.01 1.13 0.63 0.67 -4.14 116.66 111.57 2inn n ARG 121 Ca -0.01 0.06 -0.13 0.00 -0.92 0.00 0.00 57.85 56.84 2inn n ARG 121 Cb 0.43 -1.57 -0.14 0.00 0.45 0.00 0.00 32.46 31.63 2inn n ARG 121 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2inn h LEU 122 N 0.00 0.18 0.00 6.15 3.38 -0.10 -3.44 115.31 121.48 2inn h LEU 122 Ca -0.50 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2inn h LEU 122 Cb 2.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.88 2inn h LEU 122 CO 0.03 1.30 0.00 -0.11 0.09 0.00 0.00 178.44 179.75 2inn n LEU 123 N -3.26 0.00 -0.32 1.67 7.94 -0.56 -4.80 117.00 117.68 2inn n LEU 123 Ca -0.19 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.75 2inn n LEU 123 Cb 1.04 -0.16 0.09 0.00 0.53 0.00 0.00 43.42 44.92 2inn n LEU 123 CO 0.46 -0.26 0.55 0.52 -1.11 0.00 0.00 177.39 177.55 2inn n VAL 124 N -1.92 -0.39 0.15 1.96 0.31 -1.05 0.17 118.33 117.56 2inn n VAL 124 Ca 0.00 1.99 0.13 0.00 -0.01 0.00 0.00 64.34 66.45 2inn n VAL 124 Cb 0.00 -2.71 0.36 0.00 -0.91 0.00 0.00 33.84 30.58 2inn n VAL 124 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2inn h PRO 125 N 0.00 0.00 0.00 5.55 0.11 -1.85 0.91 132.00 136.73 2inn h PRO 125 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2inn h PRO 125 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2inn h PRO 125 CO -0.88 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 176.84 2inn h LEU 126 N 0.00 0.00 -1.94 2.35 3.38 0.14 -1.75 115.31 117.49 2inn h LEU 126 Ca 0.16 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2inn h LEU 126 Cb 1.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 2inn h LEU 126 CO -0.00 0.00 0.40 0.08 0.09 0.00 0.00 178.44 179.01 2inn h ARG 127 N 0.00 0.06 -0.14 1.13 0.11 -1.01 0.94 114.38 115.46 2inn h ARG 127 Ca 0.00 -0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 2inn h ARG 127 Cb 0.14 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 2inn h ARG 127 CO 0.00 0.04 -0.29 0.45 0.10 0.00 0.00 179.97 180.27 2inn h HIS 128 N 0.06 0.30 -0.26 4.08 3.86 -1.53 0.28 115.15 121.93 2inn h HIS 128 Ca 0.27 -0.06 -0.16 0.00 -1.16 0.00 0.00 60.37 59.26 2inn h HIS 128 Cb 1.00 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.40 2inn h HIS 128 CO -0.00 0.54 -0.46 0.28 0.86 0.00 0.00 177.93 179.15 2inn h VAL 129 N 0.24 1.29 -0.38 2.45 2.07 0.60 -2.14 116.25 120.39 2inn h VAL 129 Ca 0.03 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 2inn h VAL 129 Cb 0.64 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2inn h VAL 129 CO 0.05 0.53 -0.17 -0.33 0.02 0.00 0.00 177.57 177.66 2inn h GLU 130 N 0.52 0.70 -0.11 1.57 4.39 0.04 0.99 114.58 122.68 2inn h GLU 130 Ca 0.02 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2inn h GLU 130 Cb 1.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2inn h GLU 130 CO 0.10 0.83 0.06 1.25 -1.16 0.00 0.00 179.01 180.10 2inn h LEU 131 N 0.63 0.10 -0.76 1.33 5.85 -0.44 0.21 115.31 122.23 2inn h LEU 131 Ca 0.10 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.96 2inn h LEU 131 Cb 0.65 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 2inn h LEU 131 CO 0.05 0.07 0.31 1.23 -0.34 0.00 0.00 178.44 179.76 2inn h GLY 132 N 0.13 1.15 1.76 3.75 0.00 -0.64 -0.62 103.07 108.60 2inn h GLY 132 Ca 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2inn h GLY 132 CO -0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 176.54 176.27 2inn h ALA 133 N 1.54 1.39 0.00 3.60 0.00 -0.01 0.59 119.26 126.37 2inn h ALA 133 Ca 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2inn h ALA 133 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2inn h ALA 133 CO -0.39 0.42 0.00 -1.71 0.00 0.00 0.00 179.25 177.57 2inn n ASN 134 N -4.22 0.63 0.00 0.00 2.85 0.66 -1.12 115.26 114.06 2inn n ASN 134 Ca -0.00 -1.05 0.00 0.00 -0.11 0.00 0.00 54.58 53.42 2inn n ASN 134 Cb 0.31 -0.26 0.00 0.00 1.24 0.00 0.00 39.78 41.07 2inn n ASN 134 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2inn n ASN 136 N 0.29 0.00 -0.00 1.20 5.03 0.20 -1.29 115.26 120.69 2inn n ASN 136 Ca 0.00 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 2inn n ASN 136 Cb 0.14 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.77 2inn n ASN 136 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 2inn h ASN 137 N 0.00 0.00 -0.16 6.41 4.21 -1.38 -2.47 115.58 122.19 2inn h ASN 137 Ca 0.00 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.53 2inn h ASN 137 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 2inn h ASN 137 CO 0.00 0.97 0.03 0.00 -1.29 0.00 0.00 177.43 177.14 2inn h ALA 138 N 1.03 0.16 -0.30 -0.83 0.00 -1.43 0.23 119.26 118.13 2inn h ALA 138 Ca -0.22 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2inn h ALA 138 Cb 1.94 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 2inn h ALA 138 CO 0.09 -0.41 0.08 -0.22 0.00 0.00 0.00 179.25 178.79 2inn h LYS 139 N 0.10 0.19 -0.89 0.00 3.64 -1.80 0.07 116.57 117.88 2inn h LYS 139 Ca 0.07 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2inn h LYS 139 Cb 0.06 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 2inn h LYS 139 CO -0.09 0.13 0.55 0.82 -2.27 0.00 0.00 179.45 178.58 2inn h ILE 140 N 0.20 0.98 0.00 2.00 2.04 -1.09 -1.56 117.51 120.09 2inn h ILE 140 Ca 0.14 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2inn h ILE 140 Cb 0.13 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2inn h ILE 140 CO -0.16 0.17 -0.11 0.00 0.00 0.00 0.00 178.15 178.05 2inn h ALA 141 N 1.45 1.49 0.08 1.87 0.00 0.14 0.31 119.26 124.59 2inn h ALA 141 Ca 0.41 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 2inn h ALA 141 Cb 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2inn h ALA 141 CO -0.21 0.14 -1.46 0.78 0.00 0.00 0.00 179.25 178.50 2inn h GLY 142 N 0.56 0.18 0.94 0.00 0.00 -0.37 -3.35 103.07 101.03 2inn h GLY 142 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 2inn h GLY 142 CO 0.01 0.41 -1.30 1.22 0.00 0.00 0.00 176.54 176.88 2inn n ASP 143 N -3.37 0.81 -4.79 0.19 9.92 -0.74 -4.91 116.55 113.67 2inn n ASP 143 Ca -0.13 0.34 -0.39 0.00 -0.53 0.00 0.00 54.79 54.08 2inn n ASP 143 Cb 1.02 0.34 -0.06 0.00 -0.64 0.00 0.00 41.12 41.79 2inn n ASP 143 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2inn s ALA 144 N -3.10 3.57 -0.03 2.24 0.00 0.03 -4.65 121.76 119.82 2inn s ALA 144 Ca -0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 2inn s ALA 144 Cb 0.09 -2.63 -0.08 0.00 0.00 0.00 0.00 23.12 20.50 2inn s ALA 144 CO 0.81 0.31 0.68 1.79 0.00 0.00 0.00 175.76 179.34 2inn h THR 145 N 3.84 0.00 -3.25 0.00 1.35 -1.89 -3.42 112.91 109.54 2inn h THR 145 Ca -0.48 -0.49 -0.53 0.00 -0.55 0.00 0.00 66.41 64.37 2inn h THR 145 Cb 1.21 0.00 0.06 0.00 -1.73 0.00 0.00 68.15 67.68 2inn h THR 145 CO 0.66 0.00 0.80 0.00 -0.25 0.00 0.00 175.52 176.73 2inn s ALA 146 N -3.97 3.67 0.13 6.62 0.00 -1.26 -4.84 121.76 122.12 2inn s ALA 146 Ca -0.08 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 2inn s ALA 146 Cb 0.01 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2inn s ALA 146 CO 0.24 -0.78 1.74 1.15 0.00 0.00 0.00 175.76 178.11 2inn h THR 147 N 3.63 1.13 -0.98 0.00 2.02 -1.89 0.19 112.91 117.00 2inn h THR 147 Ca -0.45 -0.33 0.30 0.00 0.77 0.00 0.00 66.41 66.70 2inn h THR 147 Cb 1.21 0.74 -0.15 0.00 -1.74 0.00 0.00 68.15 68.22 2inn h THR 147 CO 0.81 0.13 0.52 0.71 0.37 0.00 0.00 175.52 178.06 2inn h THR 148 N 0.43 0.32 0.14 3.16 1.35 -1.83 0.06 112.91 116.54 2inn h THR 148 Ca 0.12 -0.11 -0.31 0.00 -0.55 0.00 0.00 66.41 65.56 2inn h THR 148 Cb 0.04 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.43 2inn h THR 148 CO -0.02 0.06 -1.49 0.58 -0.25 0.00 0.00 175.52 174.40 2inn h VAL 149 N 0.32 1.21 0.02 6.82 2.07 -1.50 -3.39 116.25 121.80 2inn h VAL 149 Ca 0.70 -2.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 2inn h VAL 149 Cb 1.56 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 34.15 2inn h VAL 149 CO -0.61 0.83 -0.01 0.77 0.02 0.00 0.00 177.57 178.58 2inn h SER 150 N 0.08 -0.02 0.00 0.57 4.64 0.12 -3.12 113.55 115.81 2inn h SER 150 Ca -0.23 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 2inn h SER 150 Cb 2.03 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2inn h SER 150 CO 0.18 0.61 0.00 1.67 -0.87 0.00 0.00 176.83 178.41 2inn n GLN 151 N -4.80 0.00 0.00 4.77 7.27 -0.49 -2.07 117.38 122.06 2inn n GLN 151 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.98 2inn n GLN 151 Cb 0.31 -0.51 0.00 0.00 2.41 0.00 0.00 30.24 32.45 2inn n GLN 151 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2inn n HIS 153 N 0.34 0.00 -0.05 3.69 8.25 -1.18 -1.95 115.22 124.32 2inn n HIS 153 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2inn n HIS 153 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2inn n HIS 153 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 2inn h ILE 154 N 0.00 1.36 -0.48 1.59 6.09 -1.65 -1.37 117.51 123.06 2inn h ILE 154 Ca 0.00 -1.50 0.08 0.00 -1.37 0.00 0.00 64.86 62.08 2inn h ILE 154 Cb 0.00 1.99 -0.07 0.00 0.47 0.00 0.00 36.82 39.21 2inn h ILE 154 CO 0.00 0.44 0.07 1.88 -3.07 0.00 0.00 178.15 177.48 2inn h TYR 155 N 0.03 0.11 0.00 2.19 0.99 -1.69 -2.25 116.97 116.35 2inn h TYR 155 Ca 0.01 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 2inn h TYR 155 Cb 0.83 0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.58 2inn h TYR 155 CO 0.10 -0.03 -0.23 0.00 -0.00 0.00 0.00 178.16 178.00 2inn h THR 156 N 0.20 0.45 0.00 -2.88 1.03 -1.79 -1.02 112.91 108.91 2inn h THR 156 Ca 0.24 -1.39 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 2inn h THR 156 Cb 0.33 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.43 2inn h THR 156 CO -0.33 0.23 0.00 0.61 -0.01 0.00 0.00 175.52 176.02 2inn n GLY 157 N 0.74 1.58 1.39 2.99 0.00 -0.52 -0.41 105.19 110.96 2inn n GLY 157 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2inn n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2inn n ASP 159 N 0.45 0.00 -0.11 1.61 8.00 -0.39 -1.40 116.55 124.71 2inn n ASP 159 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2inn n ASP 159 Cb 0.37 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.48 2inn n ASP 159 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2inn h ARG 160 N 0.00 -0.08 -0.72 -1.24 2.47 -1.00 -0.66 114.38 113.16 2inn h ARG 160 Ca 0.00 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.83 2inn h ARG 160 Cb 0.00 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.26 2inn h ARG 160 CO 0.00 -0.05 0.33 1.25 0.56 0.00 0.00 179.97 182.06 2inn h LEU 161 N -0.08 0.39 -0.76 3.04 5.85 -1.48 -1.48 115.31 120.79 2inn h LEU 161 Ca 0.19 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2inn h LEU 161 Cb 0.37 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2inn h LEU 161 CO -0.43 0.20 0.32 1.23 -0.34 0.00 0.00 178.44 179.43 2inn h GLY 162 N 0.54 1.21 0.76 3.75 0.00 -1.56 -0.83 103.07 106.95 2inn h GLY 162 Ca 0.37 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 2inn h GLY 162 CO -0.31 0.61 -0.41 -2.22 0.00 0.00 0.00 176.54 174.21 2inn h ILE 163 N 1.10 1.40 -0.12 2.60 2.04 -0.81 -1.77 117.51 121.95 2inn h ILE 163 Ca 0.26 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2inn h ILE 163 Cb 0.19 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2inn h ILE 163 CO -0.02 0.52 0.08 1.23 0.00 0.00 0.00 178.15 179.96 2inn h GLY 164 N -0.05 0.18 1.00 5.37 0.00 -1.16 0.57 103.07 108.97 2inn h GLY 164 Ca -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2inn h GLY 164 CO 0.08 0.06 0.24 1.46 0.00 0.00 0.00 176.54 178.39 2inn h GLN 165 N 0.17 0.90 0.63 4.80 4.20 -0.35 0.82 115.11 126.28 2inn h GLN 165 Ca 0.05 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2inn h GLN 165 Cb -0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2inn h GLN 165 CO -0.01 0.77 -0.48 1.88 -0.67 0.00 0.00 178.83 180.32 2inn h TYR 166 N 0.84 -1.30 -0.51 2.96 0.99 -0.74 0.48 116.97 119.68 2inn h TYR 166 Ca 0.20 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.03 2inn h TYR 166 Cb 0.20 0.49 -0.10 0.00 1.00 0.00 0.00 36.73 38.32 2inn h TYR 166 CO 0.01 -0.68 -0.15 -0.07 -0.00 0.00 0.00 178.16 177.27 2inn h LEU 167 N -1.07 -0.55 -1.09 3.88 3.38 -0.78 1.27 115.31 120.34 2inn h LEU 167 Ca -0.08 0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.25 2inn h LEU 167 Cb 0.89 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 2inn h LEU 167 CO 0.02 -0.19 0.61 0.28 0.09 0.00 0.00 178.44 179.25 2inn h SER 168 N -0.03 0.72 1.12 -0.43 0.02 -0.49 -1.61 113.55 112.85 2inn h SER 168 Ca 0.24 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 2inn h SER 168 Cb 0.40 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2inn h SER 168 CO -0.54 0.25 -0.38 0.03 -1.14 0.00 0.00 176.83 175.05 2inn h ARG 169 N 0.70 0.00 -0.51 3.45 3.08 0.65 -2.29 114.38 119.47 2inn h ARG 169 Ca 0.57 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.70 2inn h ARG 169 Cb 0.98 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.96 2inn h ARG 169 CO -0.35 0.38 0.13 0.82 -1.07 0.00 0.00 179.97 179.88 2inn h ILE 170 N 0.00 0.75 -0.09 2.04 2.04 -0.29 -2.33 117.51 119.64 2inn h ILE 170 Ca -0.00 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2inn h ILE 170 Cb 1.05 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2inn h ILE 170 CO 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 178.15 178.22 2inn h ALA 171 N 1.37 0.06 0.00 1.87 0.00 -1.52 -1.58 119.26 119.46 2inn h ALA 171 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2inn h ALA 171 Cb 0.32 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2inn h ALA 171 CO -0.30 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 179.74 2inn n LEU 172 N -5.14 0.00 0.00 0.00 4.77 -0.88 -1.38 117.00 114.37 2inn n LEU 172 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2inn n LEU 172 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2inn n LEU 172 CO 0.29 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.97 2inn n ILE 174 N 1.62 0.00 0.95 -0.08 5.41 -0.60 0.69 119.36 127.35 2inn n ILE 174 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 2inn n ILE 174 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.01 2inn n ILE 174 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2inn n ASP 175 N 0.00 2.74 -1.46 4.38 5.68 -0.48 -4.89 116.55 122.53 2inn n ASP 175 Ca 0.00 -1.87 -0.07 0.00 -0.50 0.00 0.00 54.79 52.35 2inn n ASP 175 Cb 0.00 0.08 0.02 0.00 -1.14 0.00 0.00 41.12 40.08 2inn n ASP 175 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2inn n GLY 176 N 1.29 0.49 2.17 6.12 0.00 0.22 -3.34 105.19 112.14 2inn n GLY 176 Ca 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 2inn n GLY 176 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2inn n SER 177 N 0.05 -3.53 0.03 1.61 2.88 -0.01 -4.90 113.62 109.75 2inn n SER 177 Ca -0.00 0.02 -0.15 0.00 -1.33 0.00 0.00 58.87 57.42 2inn n SER 177 Cb 0.52 -1.12 -0.04 0.00 -0.75 0.00 0.00 64.21 62.82 2inn n SER 177 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2inn h THR 178 N 0.00 1.34 0.00 2.46 2.02 -1.83 -3.48 112.91 113.41 2inn h THR 178 Ca -0.02 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.96 2inn h THR 178 Cb 0.20 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 2inn h THR 178 CO 0.03 0.67 0.00 0.61 0.37 0.00 0.00 175.52 177.20 2inn n GLY 179 N 0.79 0.69 0.17 2.16 0.00 -1.26 -4.93 105.19 102.80 2inn n GLY 179 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 2inn n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2inn h ALA 180 N 0.00 1.06 -0.10 4.61 0.00 -1.93 -2.55 119.26 120.34 2inn h ALA 180 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 2inn h ALA 180 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2inn h ALA 180 CO 0.00 0.60 -0.85 0.00 0.00 0.00 0.00 179.25 179.00 2inn h ALA 181 N 1.52 0.31 -0.67 0.00 0.00 -1.92 0.30 119.26 118.80 2inn h ALA 181 Ca -0.00 -0.63 0.08 0.00 0.00 0.00 0.00 54.91 54.35 2inn h ALA 181 Cb 0.93 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2inn h ALA 181 CO 0.06 0.70 0.34 -0.07 0.00 0.00 0.00 179.25 180.29 2inn h LEU 182 N 0.45 0.47 0.03 0.00 4.07 -1.85 0.11 115.31 118.60 2inn h LEU 182 Ca -0.07 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2inn h LEU 182 Cb 1.48 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.18 2inn h LEU 182 CO 0.17 0.29 -0.02 0.44 -1.08 0.00 0.00 178.44 178.24 2inn h ASP 183 N 0.61 -0.04 -0.47 -0.43 3.32 -1.04 0.30 116.42 118.68 2inn h ASP 183 Ca 0.32 -0.38 0.09 0.00 0.02 0.00 0.00 57.03 57.08 2inn h ASP 183 Cb 0.29 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 2inn h ASP 183 CO -0.23 0.37 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.55 2inn h GLU 184 N -0.45 0.09 0.21 3.56 4.81 -0.28 -1.43 114.58 121.09 2inn h GLU 184 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2inn h GLU 184 Cb 0.42 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2inn h GLU 184 CO 0.01 0.06 -0.11 1.03 -0.73 0.00 0.00 179.01 179.26 2inn h SER 185 N 0.09 -0.27 -0.07 1.04 0.87 -0.73 -2.28 113.55 112.20 2inn h SER 185 Ca 0.23 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2inn h SER 185 Cb 0.35 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2inn h SER 185 CO -0.41 -0.19 0.11 0.50 -0.53 0.00 0.00 176.83 176.32 2inn h LYS 186 N -0.30 0.00 -0.44 2.24 3.64 0.25 -0.66 116.57 121.30 2inn h LYS 186 Ca -0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2inn h LYS 186 Cb 0.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2inn h LYS 186 CO 0.04 0.00 -0.24 0.00 -2.27 0.00 0.00 179.45 176.98 2inn h ALA 187 N 1.84 0.75 -0.50 5.00 0.00 -0.69 -3.12 119.26 122.54 2inn h ALA 187 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2inn h ALA 187 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2inn h ALA 187 CO -0.00 0.66 0.33 1.88 0.00 0.00 0.00 179.25 182.12 2inn h TYR 188 N 0.78 0.64 0.00 0.00 0.99 -0.99 0.79 116.97 119.18 2inn h TYR 188 Ca 0.10 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2inn h TYR 188 Cb 0.79 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 38.31 2inn h TYR 188 CO 0.05 0.41 0.00 1.87 -0.00 0.00 0.00 178.16 180.49 2inn n TRP 189 N -4.45 0.00 0.00 4.88 -0.00 -1.14 -2.13 117.44 114.60 2inn n TRP 189 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 2inn n TRP 189 Cb 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.35 2inn n TRP 189 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 2inn n ASP 191 N -0.32 0.00 -4.71 5.87 8.00 0.27 -4.70 116.55 120.96 2inn n ASP 191 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2inn n ASP 191 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2inn n ASP 191 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2inn n ASP 192 N -1.46 3.59 -2.56 -2.24 -0.08 -0.91 -4.99 116.55 107.90 2inn n ASP 192 Ca 0.00 1.10 -0.04 0.00 -1.51 0.00 0.00 54.79 54.34 2inn n ASP 192 Cb 0.00 -1.53 -0.03 0.00 2.34 0.00 0.00 41.12 41.90 2inn n ASP 192 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2inn n GLU 193 N 3.03 0.57 0.00 -0.67 -0.00 -1.26 -3.63 120.64 118.69 2inn n GLU 193 Ca 0.13 -0.41 0.00 0.00 -0.00 0.00 0.00 57.16 56.88 2inn n GLU 193 Cb 0.34 -1.77 0.00 0.00 -0.00 0.00 0.00 31.44 30.01 2inn n GLU 193 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 2inn n TRP 195 N 3.35 0.00 -0.05 -1.84 7.02 -1.26 -4.50 117.44 120.16 2inn n TRP 195 Ca 0.12 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.49 2inn n TRP 195 Cb 0.17 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.00 2inn n TRP 195 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 2inn h GLN 196 N 0.00 0.27 -0.78 -0.99 1.08 -1.84 0.17 115.11 113.03 2inn h GLN 196 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2inn h GLN 196 Cb 0.00 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2inn h GLN 196 CO 0.00 0.49 0.00 -2.30 -0.95 0.00 0.00 178.83 176.07 2inn n PRO 197 N -4.75 0.00 0.00 1.46 -0.02 -1.26 0.58 135.00 131.01 2inn n PRO 197 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2inn n PRO 197 Cb 0.21 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2inn n PRO 197 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2inn n ARG 199 N 0.59 0.00 -0.03 -0.52 0.63 0.05 -1.60 116.66 115.78 2inn n ARG 199 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2inn n ARG 199 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 2inn n ARG 199 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2inn h LYS 200 N 0.00 0.69 -0.11 -0.14 3.64 -0.09 -2.10 116.57 118.45 2inn h LYS 200 Ca 0.00 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 2inn h LYS 200 Cb 0.00 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2inn h LYS 200 CO 0.00 1.07 -0.13 1.25 -2.27 0.00 0.00 179.45 179.37 2inn h LEU 201 N 0.52 0.30 -0.44 5.20 5.85 -1.53 -0.92 115.31 124.30 2inn h LEU 201 Ca 0.00 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.28 2inn h LEU 201 Cb 1.15 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2inn h LEU 201 CO 0.12 0.74 0.16 0.58 -0.34 0.00 0.00 178.44 179.69 2inn h VAL 202 N -0.13 0.87 -0.45 1.05 2.07 -1.81 0.37 116.25 118.22 2inn h VAL 202 Ca 0.02 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2inn h VAL 202 Cb 0.66 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2inn h VAL 202 CO 0.03 0.06 0.04 -0.33 0.02 0.00 0.00 177.57 177.39 2inn h GLU 203 N 0.33 0.72 -0.12 1.57 5.08 -1.35 -1.02 114.58 119.79 2inn h GLU 203 Ca 0.20 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2inn h GLU 203 Cb 0.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2inn h GLU 203 CO -0.21 0.71 -0.11 -0.44 -1.00 0.00 0.00 179.01 177.96 2inn h ASP 204 N 0.68 0.16 1.15 1.42 3.32 0.45 -1.52 116.42 122.09 2inn h ASP 204 Ca 0.14 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2inn h ASP 204 Cb 0.37 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2inn h ASP 204 CO 0.01 0.30 -0.29 0.71 -1.72 0.00 0.00 179.24 178.25 2inn h THR 205 N 0.17 0.62 0.00 0.35 1.35 0.31 -2.87 112.91 112.83 2inn h THR 205 Ca 0.04 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 2inn h THR 205 Cb 0.31 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2inn h THR 205 CO 0.02 0.29 0.00 0.18 -0.25 0.00 0.00 175.52 175.76 2inn n LEU 206 N -3.33 0.00 -0.77 3.87 4.77 -0.57 -2.64 117.00 118.33 2inn n LEU 206 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 2inn n LEU 206 Cb 0.52 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 2inn n LEU 206 CO 0.35 0.00 0.28 0.55 -1.33 0.00 0.00 177.39 177.24 2inn n VAL 207 N -0.74 0.91 -3.72 4.08 3.14 -1.08 -5.03 118.33 115.90 2inn n VAL 207 Ca 0.06 -1.56 -0.36 0.00 -2.96 0.00 0.00 64.34 59.52 2inn n VAL 207 Cb 0.03 0.34 -0.09 0.00 -1.06 0.00 0.00 33.84 33.06 2inn n VAL 207 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2inn s VAL 208 N -1.35 5.36 -0.07 1.55 1.01 -1.08 -5.02 120.40 120.80 2inn s VAL 208 Ca 0.26 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 2inn s VAL 208 Cb 0.27 -3.46 -0.15 0.00 0.00 0.00 0.00 36.38 33.04 2inn s VAL 208 CO -0.07 0.41 0.75 0.44 0.00 0.00 0.00 175.10 176.63 2inn h ASP 209 N 6.99 -0.16 -2.34 3.32 3.32 -1.95 -3.45 116.42 122.14 2inn h ASP 209 Ca -0.40 -0.36 -0.58 0.00 0.02 0.00 0.00 57.03 55.71 2inn h ASP 209 Cb 1.16 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2inn h ASP 209 CO 0.72 0.43 1.37 -0.62 -1.72 0.00 0.00 179.24 179.42 2inn s ASP 210 N -5.53 5.71 0.61 6.45 -1.08 -1.26 -4.87 116.67 116.70 2inn s ASP 210 Ca -0.12 1.62 0.37 0.00 -0.52 0.00 0.00 52.55 53.90 2inn s ASP 210 Cb 0.00 -2.52 2.02 0.00 -1.46 0.00 0.00 42.92 40.97 2inn s ASP 210 CO 0.43 -1.80 2.27 4.11 0.52 0.00 0.00 175.17 180.69 2inn h TRP 211 N 13.81 0.00 0.18 -5.34 5.08 -1.87 0.03 115.95 127.85 2inn h TRP 211 Ca -0.38 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.27 2inn h TRP 211 Cb 1.20 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.38 2inn h TRP 211 CO 0.95 0.02 -1.56 0.35 -1.28 0.00 0.00 178.44 176.92 2inn h PHE 212 N 0.00 0.71 -0.48 0.12 3.57 -1.89 -1.02 116.94 117.95 2inn h PHE 212 Ca -0.00 -0.52 0.04 0.00 3.53 0.00 0.00 57.97 61.02 2inn h PHE 212 Cb 0.09 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2inn h PHE 212 CO 0.00 1.52 0.32 1.49 -2.23 0.00 0.00 178.31 179.41 2inn h GLU 213 N 0.11 0.50 -0.02 1.11 4.81 -1.70 -0.23 114.58 119.16 2inn h GLU 213 Ca -0.27 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2inn h GLU 213 Cb 2.09 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.35 2inn h GLU 213 CO 0.21 0.33 -0.00 1.25 -0.73 0.00 0.00 179.01 180.07 2inn h LEU 214 N 0.52 0.04 -1.00 1.64 5.85 -0.82 -1.81 115.31 119.73 2inn h LEU 214 Ca 0.20 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2inn h LEU 214 Cb 0.14 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2inn h LEU 214 CO -0.05 0.36 0.11 0.00 -0.34 0.00 0.00 178.44 178.52 2inn h THR 215 N -0.29 1.23 -0.18 1.05 1.03 -0.77 0.18 112.91 115.16 2inn h THR 215 Ca 0.01 -0.86 -0.00 0.00 -0.01 0.00 0.00 66.41 65.55 2inn h THR 215 Cb 0.34 0.71 -0.01 0.00 -1.07 0.00 0.00 68.15 68.12 2inn h THR 215 CO 0.00 0.32 0.10 0.25 -0.01 0.00 0.00 175.52 176.18 2inn h LEU 216 N 0.80 0.22 0.31 0.00 5.85 -1.03 1.15 115.31 122.60 2inn h LEU 216 Ca 0.17 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2inn h LEU 216 Cb 0.33 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2inn h LEU 216 CO 0.00 0.23 -0.15 0.58 -0.34 0.00 0.00 178.44 178.76 2inn h VAL 217 N 0.20 0.54 0.62 1.05 2.07 -0.78 0.33 116.25 120.29 2inn h VAL 217 Ca 0.06 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2inn h VAL 217 Cb 0.05 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2inn h VAL 217 CO -0.01 0.12 -0.30 -0.61 0.02 0.00 0.00 177.57 176.79 2inn h GLN 218 N -0.92 -0.80 0.00 1.57 5.75 -0.65 0.77 115.11 120.83 2inn h GLN 218 Ca -0.04 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2inn h GLN 218 Cb 0.51 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.25 2inn h GLN 218 CO 0.07 -0.53 -0.55 -0.91 -2.65 0.00 0.00 178.83 174.25 2inn h ASN 219 N -1.09 0.00 0.00 -0.69 4.21 0.12 -2.17 115.58 115.97 2inn h ASN 219 Ca -0.09 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.34 2inn h ASN 219 Cb 0.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2inn h ASN 219 CO 0.14 0.04 -0.14 -0.38 -1.29 0.00 0.00 177.43 175.80 2inn n ILE 220 N -2.48 0.37 0.12 2.81 2.08 -0.78 -4.42 119.36 117.07 2inn n ILE 220 Ca 0.03 0.26 -0.13 0.00 0.56 0.00 0.00 62.75 63.47 2inn n ILE 220 Cb 0.49 -1.46 -0.06 0.00 -0.75 0.00 0.00 39.64 37.86 2inn n ILE 220 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2inn h LEU 221 N -0.14 -0.91 -0.02 1.39 3.38 0.03 0.25 115.31 119.29 2inn h LEU 221 Ca 0.00 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2inn h LEU 221 Cb 0.14 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2inn h LEU 221 CO 0.00 -0.41 -0.16 0.40 0.09 0.00 0.00 178.44 178.36 2inn h ILE 222 N -0.55 1.51 -0.08 1.22 2.04 0.64 -3.21 117.51 119.07 2inn h ILE 222 Ca 0.03 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.07 2inn h ILE 222 Cb 0.58 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2inn h ILE 222 CO -0.17 0.47 -0.34 0.44 0.00 0.00 0.00 178.15 178.54 2inn h ASP 223 N -0.48 0.16 0.00 1.72 3.32 -1.47 -3.41 116.42 116.27 2inn h ASP 223 Ca -0.01 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2inn h ASP 223 Cb 0.85 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2inn h ASP 223 CO 0.03 0.50 0.21 0.61 -1.72 0.00 0.00 179.24 178.87 2inn n GLY 224 N -0.41 0.84 4.50 2.75 0.00 0.89 -4.48 105.19 109.29 2inn n GLY 224 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2inn n GLY 224 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2inn n TYR 227 N 2.44 0.00 -0.25 1.61 4.02 -1.26 -4.61 117.16 119.10 2inn n TYR 227 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.86 2inn n TYR 227 Cb 0.04 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.42 2inn n TYR 227 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2inn h PRO 228 N 0.00 0.91 -0.75 -0.72 0.11 -1.96 0.38 132.00 129.97 2inn h PRO 228 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2inn h PRO 228 Cb 0.00 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 30.87 2inn h PRO 228 CO 0.00 0.60 0.41 1.25 -0.21 0.00 0.00 178.00 180.05 2inn h LEU 229 N 0.94 0.94 0.04 2.35 5.85 -1.92 -0.88 115.31 122.62 2inn h LEU 229 Ca 0.27 -0.10 -0.34 0.00 0.84 0.00 0.00 57.88 58.54 2inn h LEU 229 Cb -0.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 2inn h LEU 229 CO -0.07 0.77 -1.93 0.52 -0.34 0.00 0.00 178.44 177.39 2inn n VAL 230 N -4.45 1.61 0.82 1.05 0.31 -1.03 -3.28 118.33 113.35 2inn n VAL 230 Ca 0.07 -0.38 0.10 0.00 -0.01 0.00 0.00 64.34 64.12 2inn n VAL 230 Cb 0.09 -1.81 -0.10 0.00 -0.91 0.00 0.00 33.84 31.11 2inn n VAL 230 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2inn n TYR 231 N -3.90 0.02 -0.03 3.52 4.02 0.13 -2.01 117.16 118.90 2inn n TYR 231 Ca -0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.48 2inn n TYR 231 Cb 0.89 -0.12 -0.01 0.00 -0.02 0.00 0.00 39.34 40.08 2inn n TYR 231 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2inn n ASP 232 N -1.65 0.70 -0.09 7.72 8.00 -1.14 -4.58 116.55 125.52 2inn n ASP 232 Ca 0.03 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2inn n ASP 232 Cb 0.37 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2inn n ASP 232 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2inn n LYS 233 N -3.21 0.35 0.00 -1.24 4.01 -0.35 -2.20 118.16 115.52 2inn n LYS 233 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 2inn n LYS 233 Cb 0.19 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 2inn n LYS 233 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2inn n ASP 235 N -0.35 0.00 -0.03 4.39 2.03 -0.85 -2.64 116.55 119.10 2inn n ASP 235 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 2inn n ASP 235 Cb 0.02 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.30 2inn n ASP 235 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2inn h GLN 236 N 0.00 0.16 -1.29 -0.67 1.08 -1.79 -3.09 115.11 109.52 2inn h GLN 236 Ca 0.00 -0.18 0.37 0.00 -1.45 0.00 0.00 58.65 57.40 2inn h GLN 236 Cb 0.00 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 2inn h GLN 236 CO 0.00 0.91 0.92 2.35 -0.95 0.00 0.00 178.83 182.06 2inn h TRP 237 N -0.51 0.04 -0.12 2.96 7.01 -1.79 -0.16 115.95 123.38 2inn h TRP 237 Ca -0.03 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 2inn h TRP 237 Cb 1.00 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 2inn h TRP 237 CO 0.18 -0.00 -0.11 0.74 -2.79 0.00 0.00 178.44 176.46 2inn h PHE 238 N 0.02 0.19 -0.05 2.65 0.05 -1.82 -2.24 116.94 115.74 2inn h PHE 238 Ca 0.62 -0.02 -0.00 0.00 3.82 0.00 0.00 57.97 62.39 2inn h PHE 238 Cb 2.43 -0.06 -0.00 0.00 2.00 0.00 0.00 35.95 40.33 2inn h PHE 238 CO -0.00 0.30 0.03 1.49 -0.18 0.00 0.00 178.31 179.94 2inn h GLU 239 N 0.18 0.08 -0.06 1.51 4.81 -1.16 0.01 114.58 119.94 2inn h GLU 239 Ca 0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2inn h GLU 239 Cb 0.31 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2inn h GLU 239 CO 0.02 0.16 0.25 0.66 -0.73 0.00 0.00 179.01 179.37 2inn h SER 240 N -0.02 0.00 -0.48 1.04 4.64 -1.48 -2.08 113.55 115.16 2inn h SER 240 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2inn h SER 240 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2inn h SER 240 CO -0.00 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.63 2inn n GLN 241 N -3.14 2.55 -2.10 4.77 -0.06 -0.15 -4.94 117.38 114.32 2inn n GLN 241 Ca -0.01 -2.29 0.00 0.00 -2.00 0.00 0.00 57.00 52.70 2inn n GLN 241 Cb 0.33 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 25.06 2inn n GLN 241 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2inn n GLY 242 N 1.23 0.75 1.28 1.69 0.00 -0.78 -4.95 105.19 104.41 2inn n GLY 242 Ca 0.18 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.51 2inn n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2inn n ALA 243 N -1.71 2.40 -0.52 4.61 0.00 -0.40 -4.81 120.51 120.08 2inn n ALA 243 Ca 0.00 -1.97 0.41 0.00 0.00 0.00 0.00 53.44 51.88 2inn n ALA 243 Cb 0.46 -0.66 0.64 0.00 0.00 0.00 0.00 19.45 19.89 2inn n ALA 243 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2inn n GLU 244 N 0.37 -0.01 0.08 0.00 2.13 -1.24 -2.61 120.64 119.37 2inn n GLU 244 Ca 0.02 0.93 -0.06 0.00 0.66 0.00 0.00 57.16 58.71 2inn n GLU 244 Cb 1.03 -2.04 0.07 0.00 0.27 0.00 0.00 31.44 30.77 2inn n GLU 244 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2inn h ASP 245 N 0.00 0.27 -0.45 4.31 3.32 -1.90 -2.55 116.42 119.42 2inn h ASP 245 Ca 0.76 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.67 2inn h ASP 245 Cb 2.87 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 42.31 2inn h ASP 245 CO -0.12 0.89 0.30 0.58 -1.72 0.00 0.00 179.24 179.16 2inn h VAL 246 N 0.15 1.02 0.00 -1.35 2.07 -1.85 -3.40 116.25 112.89 2inn h VAL 246 Ca -0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2inn h VAL 246 Cb 1.26 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2inn h VAL 246 CO 0.11 0.08 0.07 -1.20 0.02 0.00 0.00 177.57 176.65 2inn n SER 247 N -4.48 0.00 0.00 0.57 7.64 -0.96 -3.10 113.62 113.29 2inn n SER 247 Ca 0.05 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.35 2inn n SER 247 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2inn n SER 247 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2inn n LEU 249 N 1.71 0.00 -0.62 -3.43 4.77 -1.26 -2.88 117.00 115.28 2inn n LEU 249 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2inn n LEU 249 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2inn n LEU 249 CO 0.03 0.00 0.51 0.35 -1.33 0.00 0.00 177.39 176.95 2inn n THR 250 N 0.00 0.15 -0.32 -5.08 -2.24 -1.18 -4.64 114.28 100.98 2inn n THR 250 Ca 0.00 -0.58 0.16 0.00 -2.27 0.00 0.00 64.05 61.36 2inn n THR 250 Cb 0.00 1.18 0.40 0.00 -2.10 0.00 0.00 70.33 69.81 2inn n THR 250 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2inn h GLU 251 N 2.82 0.59 -0.51 -0.78 4.39 -1.84 -2.98 114.58 116.27 2inn h GLU 251 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2inn h GLU 251 Cb 0.64 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2inn h GLU 251 CO 0.00 0.39 0.00 0.34 -1.16 0.00 0.00 179.01 178.58 2inn n PHE 252 N -4.66 0.00 0.00 4.33 7.35 -1.26 -1.26 117.46 121.96 2inn n PHE 252 Ca 0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2inn n PHE 252 Cb 0.65 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.46 2inn n PHE 252 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2inn n ARG 254 N 0.53 0.00 0.03 -4.13 1.74 -1.13 0.19 116.66 113.89 2inn n ARG 254 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2inn n ARG 254 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 2inn n ARG 254 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2inn h ASP 255 N 0.00 0.63 -0.23 0.55 5.19 -1.48 -1.39 116.42 119.69 2inn h ASP 255 Ca 0.00 -0.44 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 2inn h ASP 255 Cb 0.00 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 2inn h ASP 255 CO 0.00 1.20 0.06 -0.25 -3.12 0.00 0.00 179.24 177.14 2inn h TRP 256 N 0.35 0.38 -0.36 4.55 7.01 -0.50 -1.47 115.95 125.91 2inn h TRP 256 Ca -0.05 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.92 2inn h TRP 256 Cb 1.40 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.33 2inn h TRP 256 CO 0.06 0.45 0.22 -0.92 -2.79 0.00 0.00 178.44 175.46 2inn h TYR 257 N 0.20 0.41 -0.11 2.65 3.20 -1.76 0.45 116.97 122.02 2inn h TYR 257 Ca 0.07 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.96 2inn h TYR 257 Cb 0.26 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2inn h TYR 257 CO 0.01 0.25 0.04 -0.22 -1.64 0.00 0.00 178.16 176.59 2inn h LYS 258 N 0.45 0.09 -0.92 1.82 3.64 -1.07 -2.11 116.57 118.48 2inn h LYS 258 Ca 0.14 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2inn h LYS 258 Cb -0.02 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2inn h LYS 258 CO -0.05 0.06 0.54 1.49 -2.27 0.00 0.00 179.45 179.22 2inn h GLU 259 N 0.10 1.26 -0.61 1.90 4.81 -0.99 -3.09 114.58 117.94 2inn h GLU 259 Ca 0.05 -0.12 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2inn h GLU 259 Cb 0.02 -0.26 -0.08 0.00 0.63 0.00 0.00 28.75 29.07 2inn h GLU 259 CO -0.05 0.89 0.21 0.66 -0.73 0.00 0.00 179.01 179.99 2inn h SER 260 N 1.27 0.18 -1.19 1.04 4.64 0.58 0.15 113.55 120.22 2inn h SER 260 Ca 0.33 0.09 0.42 0.00 -0.47 0.00 0.00 61.79 62.15 2inn h SER 260 Cb -0.03 0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 62.01 2inn h SER 260 CO -0.06 0.11 0.75 0.18 -0.87 0.00 0.00 176.83 176.94 2inn n LEU 261 N -5.02 0.19 -0.03 5.97 4.32 -1.00 -0.70 117.00 120.74 2inn n LEU 261 Ca 0.09 1.24 -0.15 0.00 -0.02 0.00 0.00 56.01 57.16 2inn n LEU 261 Cb 0.29 -0.61 -0.10 0.00 -1.62 0.00 0.00 43.42 41.38 2inn n LEU 261 CO 0.21 -1.35 0.40 0.03 -1.22 0.00 0.00 177.39 175.46 2inn h ARG 262 N 0.00 0.34 -0.07 3.23 3.08 -0.83 -1.18 114.38 118.95 2inn h ARG 262 Ca 0.77 -0.29 -0.20 0.00 0.07 0.00 0.00 59.98 60.33 2inn h ARG 262 Cb 2.46 0.07 0.01 0.00 0.08 0.00 0.00 29.97 32.59 2inn h ARG 262 CO -0.43 0.95 -0.73 0.11 -1.07 0.00 0.00 179.97 178.80 2inn h TRP 263 N -0.17 0.86 -0.03 3.04 5.08 -1.32 -2.79 115.95 120.62 2inn h TRP 263 Ca -0.03 -0.42 -0.00 0.00 1.08 0.00 0.00 58.89 59.52 2inn h TRP 263 Cb 1.03 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 27.07 2inn h TRP 263 CO 0.14 1.24 0.01 1.79 -1.28 0.00 0.00 178.44 180.34 2inn h THR 264 N 0.24 1.15 -0.79 0.12 1.35 -0.94 -1.80 112.91 112.24 2inn h THR 264 Ca -0.07 -0.45 0.07 0.00 -0.55 0.00 0.00 66.41 65.41 2inn h THR 264 Cb 1.39 1.40 -0.05 0.00 -1.73 0.00 0.00 68.15 69.16 2inn h THR 264 CO 0.15 0.12 0.51 0.78 -0.25 0.00 0.00 175.52 176.83 2inn h ASN 265 N -0.13 0.74 0.00 5.36 2.35 -1.32 -3.41 115.58 119.17 2inn h ASN 265 Ca 0.01 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2inn h ASN 265 Cb 0.19 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.42 2inn h ASN 265 CO -0.00 0.47 0.78 0.00 -1.65 0.00 0.00 177.43 177.03 2inn n ALA 266 N -2.43 0.72 0.00 -0.83 0.00 -0.68 -4.63 120.51 112.66 2inn n ALA 266 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2inn n ALA 266 Cb 0.22 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2inn n ALA 266 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2inn n LYS 269 N 4.63 0.00 -0.32 0.00 4.81 -1.26 -4.71 118.16 121.30 2inn n LYS 269 Ca 0.04 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.68 2inn n LYS 269 Cb 0.05 0.00 0.41 0.00 0.02 0.00 0.00 35.03 35.51 2inn n LYS 269 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2inn h ALA 270 N 0.00 1.72 0.00 3.14 0.00 -1.89 0.76 119.26 122.99 2inn h ALA 270 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2inn h ALA 270 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2inn h ALA 270 CO 0.00 -0.55 -0.45 0.28 0.00 0.00 0.00 179.25 178.53 2inn h VAL 271 N 0.27 1.44 -0.46 0.00 2.07 -1.93 -0.89 116.25 116.75 2inn h VAL 271 Ca 0.68 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 65.94 2inn h VAL 271 Cb 1.49 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 34.14 2inn h VAL 271 CO -0.64 0.49 0.30 0.00 0.02 0.00 0.00 177.57 177.74 2inn h ALA 272 N -0.20 0.58 0.00 1.67 0.00 -1.87 -2.57 119.26 116.88 2inn h ALA 272 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2inn h ALA 272 Cb 1.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2inn h ALA 272 CO -0.08 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2inn n GLY 273 N -1.22 -1.09 0.24 0.00 0.00 0.26 -3.68 105.19 99.70 2inn n GLY 273 Ca 0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2inn n GLY 273 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2inn h GLU 274 N 0.00 0.79 -2.47 1.61 4.57 -0.72 -3.47 114.58 114.89 2inn h GLU 274 Ca 0.00 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 2inn h GLU 274 Cb 0.29 -0.07 -0.16 0.00 -0.16 0.00 0.00 28.75 28.65 2inn h GLU 274 CO 0.00 0.85 0.24 -1.54 -1.18 0.00 0.00 179.01 177.38 2inn s SER 275 N -6.28 -0.58 0.49 1.04 1.04 -1.24 -4.99 113.70 103.18 2inn s SER 275 Ca -0.13 0.32 0.14 0.00 0.48 0.00 0.00 55.95 56.76 2inn s SER 275 Cb 0.11 0.55 1.17 0.00 0.10 0.00 0.00 66.02 67.95 2inn s SER 275 CO 0.81 -0.77 2.13 -0.08 0.98 0.00 0.00 173.24 176.31 2inn h GLU 276 N 2.44 0.12 0.00 4.02 4.57 -1.91 -2.77 114.58 121.05 2inn h GLU 276 Ca -0.30 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2inn h GLU 276 Cb 1.23 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2inn h GLU 276 CO 0.38 0.08 -0.00 1.15 -1.18 0.00 0.00 179.01 179.44 2inn h THR 277 N 0.12 1.00 -0.77 0.32 2.02 -1.95 -2.20 112.91 111.45 2inn h THR 277 Ca 0.03 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.30 2inn h THR 277 Cb -0.01 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 2inn h THR 277 CO -0.01 0.00 0.42 0.78 0.37 0.00 0.00 175.52 177.09 2inn h ASN 278 N -0.01 0.58 -0.13 4.18 2.35 -1.83 -2.52 115.58 118.20 2inn h ASN 278 Ca -0.00 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2inn h ASN 278 Cb 0.01 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 2inn h ASN 278 CO 0.00 0.33 -0.09 0.03 -1.65 0.00 0.00 177.43 176.05 2inn h ARG 279 N 0.71 -0.09 -0.85 0.81 3.08 -1.26 -0.02 114.38 116.75 2inn h ARG 279 Ca 0.38 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.48 2inn h ARG 279 Cb 0.37 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 2inn h ARG 279 CO -0.26 -0.06 0.54 0.93 -1.07 0.00 0.00 179.97 180.05 2inn h GLU 280 N -0.09 0.99 0.27 0.04 3.07 -1.12 -1.18 114.58 116.56 2inn h GLU 280 Ca 0.08 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2inn h GLU 280 Cb 0.22 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2inn h GLU 280 CO -0.19 0.65 -0.16 -0.07 -1.40 0.00 0.00 179.01 177.84 2inn h LEU 281 N 1.02 -0.39 -0.94 1.33 3.38 -1.01 0.14 115.31 118.84 2inn h LEU 281 Ca 0.36 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.41 2inn h LEU 281 Cb 0.09 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2inn h LEU 281 CO -0.14 -0.26 0.60 -0.07 0.09 0.00 0.00 178.44 178.66 2inn h LEU 282 N -0.41 0.96 -0.34 1.67 3.38 -0.50 -1.53 115.31 118.54 2inn h LEU 282 Ca -0.03 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2inn h LEU 282 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2inn h LEU 282 CO 0.03 0.62 -0.02 -0.61 0.09 0.00 0.00 178.44 178.55 2inn h GLN 283 N 1.10 0.62 -0.02 1.13 5.75 -0.95 1.98 115.11 124.73 2inn h GLN 283 Ca 0.40 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 2inn h GLN 283 Cb 0.14 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2inn h GLN 283 CO -0.17 0.76 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.47 2inn h LYS 284 N 0.42 -0.13 -0.18 1.69 3.64 0.25 0.88 116.57 123.15 2inn h LYS 284 Ca 0.09 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2inn h LYS 284 Cb 0.49 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2inn h LYS 284 CO 0.02 -0.09 0.04 -1.49 -2.27 0.00 0.00 179.45 175.67 2inn h TRP 285 N -0.14 0.07 -0.62 1.91 6.55 -1.13 -1.63 115.95 120.96 2inn h TRP 285 Ca 0.04 0.01 0.12 0.00 0.95 0.00 0.00 58.89 60.00 2inn h TRP 285 Cb 0.19 -0.01 -0.09 0.00 -0.86 0.00 0.00 29.16 28.39 2inn h TRP 285 CO -0.16 0.03 0.16 0.82 -1.05 0.00 0.00 178.44 178.24 2inn h ILE 286 N 0.12 0.65 -0.31 1.49 2.04 0.38 0.31 117.51 122.18 2inn h ILE 286 Ca 0.08 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2inn h ILE 286 Cb 0.06 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2inn h ILE 286 CO -0.10 0.05 0.19 0.44 0.00 0.00 0.00 178.15 178.74 2inn h ASP 287 N 0.29 0.31 -0.17 1.72 3.32 -0.64 0.52 116.42 121.77 2inn h ASP 287 Ca 0.33 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2inn h ASP 287 Cb 0.48 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2inn h ASP 287 CO -0.40 0.23 0.08 -0.74 -1.72 0.00 0.00 179.24 176.69 2inn h HIS 288 N 0.39 0.26 0.07 4.55 2.76 -0.95 -3.40 115.15 118.82 2inn h HIS 288 Ca 0.12 -0.02 -0.25 0.00 -2.20 0.00 0.00 60.37 58.02 2inn h HIS 288 Cb -0.01 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 2inn h HIS 288 CO -0.07 0.30 -1.34 -1.49 -1.30 0.00 0.00 177.93 174.02 2inn h TRP 289 N 0.14 0.27 -0.71 5.26 4.06 0.02 -3.38 115.95 121.62 2inn h TRP 289 Ca 0.06 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.80 2inn h TRP 289 Cb 0.14 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 2inn h TRP 289 CO -0.02 1.53 0.41 1.05 -3.56 0.00 0.00 178.44 177.85 2inn h GLU 290 N -0.53 0.96 -0.82 0.49 -0.00 -1.09 -1.08 114.58 112.52 2inn h GLU 290 Ca -0.31 -0.09 0.13 0.00 -0.00 0.00 0.00 59.36 59.09 2inn h GLU 290 Cb 1.59 -0.20 -0.06 0.00 -0.00 0.00 0.00 28.75 30.08 2inn h GLU 290 CO -0.03 0.69 0.54 -1.35 -0.00 0.00 0.00 179.01 178.85 2inn h PRO 291 N 0.98 0.61 -0.25 1.06 0.11 -1.77 0.16 132.00 132.89 2inn h PRO 291 Ca 0.25 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 2inn h PRO 291 Cb -0.02 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2inn h PRO 291 CO -0.05 0.40 0.06 1.96 -0.21 0.00 0.00 178.00 180.17 2inn h GLN 292 N 0.63 0.41 0.29 1.05 4.20 -1.46 0.17 115.11 120.39 2inn h GLN 292 Ca 0.40 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2inn h GLN 292 Cb 0.67 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2inn h GLN 292 CO -0.16 0.50 -0.52 0.00 -0.67 0.00 0.00 178.83 177.98 2inn h ALA 293 N 0.89 -1.07 -0.84 3.87 0.00 -0.25 0.33 119.26 122.19 2inn h ALA 293 Ca 0.08 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.05 2inn h ALA 293 Cb 0.28 0.83 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 2inn h ALA 293 CO 0.00 -1.15 0.26 -0.92 0.00 0.00 0.00 179.25 177.44 2inn h TYR 294 N -0.86 0.41 -0.55 0.00 3.20 -0.54 0.66 116.97 119.29 2inn h TYR 294 Ca -0.03 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2inn h TYR 294 Cb 0.81 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 2inn h TYR 294 CO -0.37 -0.13 0.36 0.93 -1.64 0.00 0.00 178.16 177.32 2inn h GLU 295 N 0.28 0.71 -0.46 1.82 4.39 -0.43 -1.87 114.58 119.02 2inn h GLU 295 Ca 0.51 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 60.08 2inn h GLU 295 Cb 0.97 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2inn h GLU 295 CO -0.58 0.47 -0.06 0.00 -1.16 0.00 0.00 179.01 177.68 2inn h ALA 296 N 1.20 1.03 0.00 3.43 0.00 0.13 -2.37 119.26 122.68 2inn h ALA 296 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2inn h ALA 296 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2inn h ALA 296 CO -0.05 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 2inn h LEU 297 N 0.73 0.00 -0.58 0.00 3.38 -1.24 -3.39 115.31 114.21 2inn h LEU 297 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2inn h LEU 297 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2inn h LEU 297 CO 0.03 0.00 0.20 0.50 0.09 0.00 0.00 178.44 179.26 2inn h LYS 298 N 0.00 0.89 0.00 1.13 3.64 -0.78 0.48 116.57 121.94 2inn h LYS 298 Ca 0.00 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 2inn h LYS 298 Cb 0.78 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2inn h LYS 298 CO 0.00 0.79 -0.27 -1.35 -2.27 0.00 0.00 179.45 176.35 2inn h PRO 299 N 0.82 0.00 -0.11 1.90 0.11 -1.76 -0.33 132.00 132.63 2inn h PRO 299 Ca 0.19 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 2inn h PRO 299 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2inn h PRO 299 CO -0.01 0.27 -0.57 1.25 -0.21 0.00 0.00 178.00 178.73 2inn h LEU 300 N 0.00 0.39 -0.17 2.35 5.85 -1.42 -1.16 115.31 121.15 2inn h LEU 300 Ca -0.00 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2inn h LEU 300 Cb 0.50 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2inn h LEU 300 CO 0.03 0.88 -0.02 0.00 -0.34 0.00 0.00 178.44 178.99 2inn h ALA 301 N 1.13 0.23 -0.85 1.25 0.00 -0.17 -3.19 119.26 117.66 2inn h ALA 301 Ca 0.00 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.89 2inn h ALA 301 Cb 1.08 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 2inn h ALA 301 CO 0.09 -0.03 0.29 0.93 0.00 0.00 0.00 179.25 180.54 2inn h GLU 302 N 0.04 0.31 -0.18 0.00 4.39 -0.81 0.57 114.58 118.90 2inn h GLU 302 Ca 0.05 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2inn h GLU 302 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2inn h GLU 302 CO 0.01 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.07 2inn n ALA 303 N -2.60 2.47 -2.17 3.43 0.00 -0.46 -4.54 120.51 116.65 2inn n ALA 303 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2inn n ALA 303 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2inn n ALA 303 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2inn n SER 304 N 0.01 0.00 -0.22 0.00 2.88 0.07 -4.98 113.62 111.38 2inn n SER 304 Ca 0.06 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.73 2inn n SER 304 Cb 0.15 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 63.96 2inn n SER 304 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2inn n VAL 305 N 0.00 0.00 0.00 2.46 3.14 -1.20 -5.04 118.33 117.69 2inn n VAL 305 Ca 0.00 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2inn n VAL 305 Cb 0.00 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 2inn n VAL 305 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2inn n GLY 306 N 1.36 1.08 0.37 7.55 0.00 -0.48 -4.63 105.19 110.44 2inn n GLY 306 Ca 0.11 -1.81 0.18 0.00 0.00 0.00 0.00 46.02 44.50 2inn n GLY 306 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2inn h ILE 307 N 0.00 0.78 -0.87 -0.61 6.09 -1.90 -1.50 117.51 119.50 2inn h ILE 307 Ca 0.00 -0.05 0.16 0.00 -1.37 0.00 0.00 64.86 63.60 2inn h ILE 307 Cb 0.00 0.61 -0.07 0.00 0.47 0.00 0.00 36.82 37.84 2inn h ILE 307 CO 0.00 0.03 0.56 0.44 -3.07 0.00 0.00 178.15 176.11 2inn h ASP 308 N 0.15 0.55 0.31 2.19 3.32 -1.96 0.58 116.42 121.56 2inn h ASP 308 Ca 0.28 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 2inn h ASP 308 Cb 0.89 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 2inn h ASP 308 CO -0.04 0.27 -0.50 1.23 -1.72 0.00 0.00 179.24 178.48 2inn h GLY 309 N 0.58 -1.21 0.29 2.75 0.00 -1.53 0.32 103.07 104.27 2inn h GLY 309 Ca 0.44 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.44 2inn h GLY 309 CO -0.19 -0.33 -0.15 -2.00 0.00 0.00 0.00 176.54 173.88 2inn h LEU 310 N -0.85 -0.49 -1.64 3.11 5.85 -1.46 -1.65 115.31 118.18 2inn h LEU 310 Ca -0.03 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2inn h LEU 310 Cb 0.79 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2inn h LEU 310 CO -0.17 -0.19 0.28 0.78 -0.34 0.00 0.00 178.44 178.81 2inn h ASN 311 N -0.12 0.41 0.49 1.25 2.35 -0.28 0.19 115.58 119.87 2inn h ASN 311 Ca 0.14 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.68 2inn h ASN 311 Cb 0.34 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2inn h ASN 311 CO -0.34 0.29 -0.91 -0.33 -1.65 0.00 0.00 177.43 174.49 2inn h GLU 312 N 0.48 0.28 -0.42 0.81 5.08 0.22 0.20 114.58 121.23 2inn h GLU 312 Ca 0.17 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 2inn h GLU 312 Cb 0.08 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2inn h GLU 312 CO -0.04 1.02 -0.24 0.00 -1.00 0.00 0.00 179.01 178.75 2inn h ALA 313 N 0.87 0.79 -0.10 3.43 0.00 -0.86 0.25 119.26 123.64 2inn h ALA 313 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2inn h ALA 313 Cb 1.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2inn h ALA 313 CO 0.15 0.65 -0.07 -0.09 0.00 0.00 0.00 179.25 179.89 2inn h ARG 314 N 0.74 -0.07 -0.68 0.00 2.43 -0.09 0.60 114.38 117.32 2inn h ARG 314 Ca 0.10 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2inn h ARG 314 Cb 0.78 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.21 2inn h ARG 314 CO 0.06 -0.04 -0.17 0.00 -1.51 0.00 0.00 179.97 178.31 2inn h ALA 315 N 1.02 0.45 -0.69 2.80 0.00 -0.44 0.12 119.26 122.52 2inn h ALA 315 Ca 0.06 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2inn h ALA 315 Cb 0.16 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2inn h ALA 315 CO -0.14 -0.42 0.42 1.49 0.00 0.00 0.00 179.25 180.60 2inn h GLU 316 N 0.00 0.80 0.00 0.00 4.81 0.15 0.81 114.58 121.15 2inn h GLU 316 Ca 0.33 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.32 2inn h GLU 316 Cb 0.50 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2inn h GLU 316 CO -0.70 0.53 -0.90 1.25 -0.73 0.00 0.00 179.01 178.46 2inn h LEU 317 N 0.82 0.00 -1.09 1.64 5.85 -0.46 -2.76 115.31 119.31 2inn h LEU 317 Ca 0.28 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 2inn h LEU 317 Cb 0.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2inn h LEU 317 CO -0.12 0.90 0.36 -1.28 -0.34 0.00 0.00 178.44 177.96 2inn h SER 318 N 0.00 0.90 0.19 1.25 0.87 0.12 -2.35 113.55 114.53 2inn h SER 318 Ca -0.01 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.36 2inn h SER 318 Cb 1.60 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 2inn h SER 318 CO 0.12 0.74 -0.38 0.00 -0.53 0.00 0.00 176.83 176.78 2inn h ALA 319 N 1.40 1.12 0.13 6.23 0.00 -0.70 -2.50 119.26 124.93 2inn h ALA 319 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2inn h ALA 319 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2inn h ALA 319 CO -0.04 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 2inn h ARG 320 N 0.23 -0.17 -0.70 0.00 3.08 -1.20 -2.97 114.38 112.65 2inn h ARG 320 Ca 0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2inn h ARG 320 Cb 0.78 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.84 2inn h ARG 320 CO 0.06 0.02 0.46 -0.07 -1.07 0.00 0.00 179.97 179.37 2inn h LEU 321 N -0.33 0.79 -0.89 3.04 3.38 -1.17 -1.50 115.31 118.63 2inn h LEU 321 Ca -0.02 -0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.15 2inn h LEU 321 Cb 0.27 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 40.66 2inn h LEU 321 CO 0.03 0.57 -0.01 0.11 0.09 0.00 0.00 178.44 179.23 2inn h LYS 322 N 0.93 0.05 -0.08 1.13 1.57 -1.00 0.27 116.57 119.45 2inn h LYS 322 Ca 0.26 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2inn h LYS 322 Cb -0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2inn h LYS 322 CO -0.06 0.03 0.13 0.87 -0.57 0.00 0.00 179.45 179.86 2inn h LYS 323 N 0.05 0.00 -0.00 3.15 1.57 -1.10 -0.57 116.57 119.67 2inn h LYS 323 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2inn h LYS 323 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2inn h LYS 323 CO -0.82 0.00 -0.91 1.19 -0.57 0.00 0.00 179.45 178.34 2inn n PHE 324 N -3.49 0.00 -1.34 -1.35 0.99 0.82 -4.98 117.46 108.11 2inn n PHE 324 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2inn n PHE 324 Cb 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.67 2inn n PHE 324 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2inn n GLU 325 N -1.43 0.00 -4.11 -1.08 1.02 -0.22 -4.64 120.64 110.18 2inn n GLU 325 Ca 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2inn n GLU 325 Cb 0.34 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 2inn n GLU 325 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2inn s LEU 326 N -2.20 1.12 0.03 -4.62 1.43 -0.74 -4.95 118.68 108.77 2inn s LEU 326 Ca 0.00 -1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 51.90 2inn s LEU 326 Cb 0.00 0.74 -0.02 0.00 0.03 0.00 0.00 46.19 46.95 2inn s LEU 326 CO 0.00 -0.87 0.03 -1.10 0.23 0.00 0.00 176.35 174.64 2inn s GLN 327 N -4.07 0.51 0.00 1.70 -0.21 -1.26 -2.19 119.66 114.13 2inn s GLN 327 Ca 0.29 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.86 2inn s GLN 327 Cb 0.05 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.25 2inn s GLN 327 CO 0.07 -0.11 0.00 -1.13 -2.12 0.00 0.00 175.29 172.00 2inn n SER 328 N 0.89 0.00 0.00 5.90 3.41 -1.26 -4.88 113.62 117.67 2inn n SER 328 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2inn n SER 328 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2inn n SER 328 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74