#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtg n SER 2 N 0.00 -1.42 0.00 7.83 7.64 -1.26 -4.96 113.62 121.46 3gtg n SER 2 Ca 0.00 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.17 3gtg n SER 2 Cb 0.00 2.30 0.00 0.00 -1.01 0.00 0.00 64.21 65.50 3gtg n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3gtg n ASN 3 N -1.16 0.00 -4.85 6.43 5.15 -1.26 -4.81 115.26 114.77 3gtg n ASN 3 Ca -0.01 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.65 3gtg n ASN 3 Cb 0.49 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.69 3gtg n ASN 3 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3gtg s THR 4 N -1.97 4.60 0.00 -0.44 2.01 -1.26 -3.67 115.64 114.90 3gtg s THR 4 Ca 0.00 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.07 3gtg s THR 4 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3gtg s THR 4 CO 0.00 -0.43 0.00 0.18 -0.69 0.00 0.00 174.62 173.68 3gtg n LEU 5 N -0.98 1.90 -3.72 4.42 4.77 -0.98 -4.92 117.00 117.49 3gtg n LEU 5 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3gtg n LEU 5 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 3gtg n LEU 5 CO 0.43 0.32 0.07 0.12 -1.33 0.00 0.00 177.39 176.99 3gtg s PHE 6 N -1.85 -0.11 -0.30 -1.77 5.36 -0.42 -4.75 117.98 114.13 3gtg s PHE 6 Ca 0.00 -0.15 -0.09 0.00 -0.96 0.00 0.00 56.93 55.74 3gtg s PHE 6 Cb 0.00 0.14 0.17 0.00 -0.34 0.00 0.00 43.02 42.98 3gtg s PHE 6 CO 0.00 -0.59 0.77 0.34 -1.46 0.00 0.00 175.22 174.28 3gtg s ASP 7 N -2.50 -0.99 0.14 6.13 2.15 -1.26 -1.31 116.67 119.02 3gtg s ASP 7 Ca 0.00 0.97 -0.02 0.00 0.43 0.00 0.00 52.55 53.93 3gtg s ASP 7 Cb 0.01 1.97 0.01 0.00 -0.30 0.00 0.00 42.92 44.61 3gtg s ASP 7 CO -0.08 -0.19 0.21 -0.67 -0.17 0.00 0.00 175.17 174.27 3gtg n ASP 8 N 5.34 -0.60 -4.26 -0.34 -0.08 -0.43 -5.01 116.55 111.17 3gtg n ASP 8 Ca -0.07 -1.71 -0.30 0.00 -1.51 0.00 0.00 54.79 51.19 3gtg n ASP 8 Cb 0.51 1.09 -0.16 0.00 2.34 0.00 0.00 41.12 44.90 3gtg n ASP 8 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3gtg s ILE 9 N -2.60 1.96 0.09 5.18 1.01 -1.26 -0.82 121.20 124.76 3gtg s ILE 9 Ca 0.10 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3gtg s ILE 9 Cb -0.01 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3gtg s ILE 9 CO 0.07 0.55 -0.12 -0.36 0.00 0.00 0.00 174.94 175.08 3gtg s PHE 10 N -0.28 1.18 -0.20 3.97 0.40 -0.76 -2.85 117.98 119.43 3gtg s PHE 10 Ca 0.01 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 3gtg s PHE 10 Cb -0.12 -0.65 0.03 0.00 0.51 0.00 0.00 43.02 42.79 3gtg s PHE 10 CO 0.02 0.05 -0.17 -1.14 0.70 0.00 0.00 175.22 174.68 3gtg s GLN 11 N -2.27 2.82 -0.04 0.44 2.00 0.39 -1.98 119.66 121.02 3gtg s GLN 11 Ca 0.02 -0.95 -0.30 0.00 -2.00 0.00 0.00 55.36 52.14 3gtg s GLN 11 Cb -0.07 -2.66 -0.03 0.00 0.80 0.00 0.00 33.01 31.05 3gtg s GLN 11 CO 0.02 -0.30 1.18 0.08 -0.50 0.00 0.00 175.29 175.77 3gtg s VAL 12 N 1.25 4.27 -0.03 1.34 1.01 -0.93 -1.48 120.40 125.84 3gtg s VAL 12 Ca 0.02 1.60 0.11 0.00 0.00 0.00 0.00 61.98 63.71 3gtg s VAL 12 Cb -0.15 -4.03 -0.17 0.00 0.00 0.00 0.00 36.38 32.03 3gtg s VAL 12 CO -0.11 0.02 0.25 -1.54 0.00 0.00 0.00 175.10 173.72 3gtg n SER 13 N 4.98 2.42 -3.64 3.32 3.41 0.94 -2.39 113.62 122.67 3gtg n SER 13 Ca 0.10 -0.02 -0.03 0.00 -0.26 0.00 0.00 58.87 58.67 3gtg n SER 13 Cb 0.46 1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 65.86 3gtg n SER 13 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gtg s GLU 14 N -2.75 0.61 -0.50 4.33 2.12 -0.97 -4.89 118.70 116.66 3gtg s GLU 14 Ca -0.04 1.37 -0.06 0.00 0.36 0.00 0.00 54.97 56.60 3gtg s GLU 14 Cb 0.07 0.64 0.13 0.00 0.26 0.00 0.00 34.13 35.23 3gtg s GLU 14 CO 0.46 -0.18 0.34 0.54 -0.54 0.00 0.00 175.26 175.88 3gtg s VAL 15 N 2.50 3.91 -0.30 3.70 0.11 -1.26 -1.95 120.40 127.11 3gtg s VAL 15 Ca -0.07 -2.11 -0.07 0.00 -2.93 0.00 0.00 61.98 56.80 3gtg s VAL 15 Cb -0.10 -3.59 0.01 0.00 -1.53 0.00 0.00 36.38 31.18 3gtg s VAL 15 CO -0.19 -0.78 0.08 -0.62 -3.33 0.00 0.00 175.10 170.26 3gtg s ASP 16 N 2.04 5.16 -1.15 3.54 2.15 -1.12 -4.95 116.67 122.33 3gtg s ASP 16 Ca 0.09 -0.74 -0.19 0.00 0.43 0.00 0.00 52.55 52.14 3gtg s ASP 16 Cb -0.23 -1.88 0.08 0.00 -0.30 0.00 0.00 42.92 40.58 3gtg s ASP 16 CO -0.03 -0.20 1.54 -2.84 -0.17 0.00 0.00 175.17 173.47 3gtg s PRO 17 N 1.49 3.82 -1.19 4.34 0.02 -1.26 -3.20 135.00 139.03 3gtg s PRO 17 Ca 0.02 -1.74 -0.21 0.00 0.02 0.00 0.00 61.00 59.10 3gtg s PRO 17 Cb -0.17 -5.36 0.01 0.00 0.02 0.00 0.00 34.50 29.00 3gtg s PRO 17 CO 0.03 -2.13 1.78 0.20 -0.33 0.00 0.00 177.00 176.54 3gtg s GLY 18 N 4.27 1.00 -1.68 0.52 0.00 -1.26 -4.28 107.32 105.88 3gtg s GLY 18 Ca 0.48 -2.46 -0.10 0.00 0.00 0.00 0.00 44.72 42.64 3gtg s GLY 18 CO -0.01 3.04 0.24 0.54 0.00 0.00 0.00 173.10 176.92 3gtg n ARG 19 N 8.48 -0.88 -3.93 2.90 5.12 -1.26 -4.96 116.66 122.12 3gtg n ARG 19 Ca 0.45 0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 56.38 3gtg n ARG 19 Cb 0.47 -4.05 -0.12 0.00 -1.16 0.00 0.00 32.46 27.61 3gtg n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3gtg s TYR 20 N -3.93 0.15 -0.26 -1.55 4.12 -1.26 -5.09 117.35 109.53 3gtg s TYR 20 Ca 0.34 -0.31 -0.11 0.00 0.02 0.00 0.00 57.07 57.00 3gtg s TYR 20 Cb -0.20 -0.12 -0.15 0.00 -1.52 0.00 0.00 41.96 39.98 3gtg s TYR 20 CO 1.01 -0.14 -0.23 0.09 0.02 0.00 0.00 175.55 176.29 3gtg n ASN 21 N 2.04 1.96 0.13 2.29 3.02 -1.26 -4.68 115.26 118.76 3gtg n ASN 21 Ca -0.20 0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.57 3gtg n ASN 21 Cb 0.57 -0.75 0.14 0.00 -0.61 0.00 0.00 39.78 39.12 3gtg n ASN 21 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3gtg h LYS 22 N -0.74 0.00 -6.08 3.52 1.57 -1.98 -3.43 116.57 109.43 3gtg h LYS 22 Ca -0.63 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.62 3gtg h LYS 22 Cb 1.66 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.90 3gtg h LYS 22 CO -0.31 0.66 -0.50 0.08 -0.57 0.00 0.00 179.45 178.81 3gtg s VAL 23 N -3.50 2.91 -0.26 0.50 1.01 -1.26 -1.80 120.40 118.01 3gtg s VAL 23 Ca -0.01 -1.62 -0.12 0.00 0.00 0.00 0.00 61.98 60.23 3gtg s VAL 23 Cb 0.12 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.59 3gtg s VAL 23 CO 0.77 -0.13 0.60 0.00 0.00 0.00 0.00 175.10 176.34 3gtg s ARG 25 N 2.02 4.39 -0.13 0.00 3.52 -1.19 -0.51 118.95 127.05 3gtg s ARG 25 Ca -0.08 1.15 -0.05 0.00 -0.13 0.00 0.00 55.73 56.62 3gtg s ARG 25 Cb -0.08 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3gtg s ARG 25 CO -0.18 -0.21 0.04 -1.50 -0.81 0.00 0.00 175.30 172.64 3gtg s ILE 26 N 1.70 4.63 -0.27 4.11 1.10 0.23 -2.79 121.20 129.92 3gtg s ILE 26 Ca 0.43 -0.11 0.01 0.00 -0.51 0.00 0.00 60.65 60.47 3gtg s ILE 26 Cb -0.18 -3.02 0.05 0.00 0.15 0.00 0.00 42.46 39.46 3gtg s ILE 26 CO 0.17 0.54 -0.07 -0.70 -2.11 0.00 0.00 174.94 172.77 3gtg s GLU 27 N -0.30 2.35 0.04 3.50 2.56 -0.82 -0.69 118.70 125.34 3gtg s GLU 27 Ca 0.08 -1.30 -0.05 0.00 0.00 0.00 0.00 54.97 53.70 3gtg s GLU 27 Cb -0.12 -2.99 -0.01 0.00 2.00 0.00 0.00 34.13 33.01 3gtg s GLU 27 CO 0.02 -0.57 0.09 0.00 -0.56 0.00 0.00 175.26 174.23 3gtg s ALA 28 N 1.17 -0.03 0.19 6.30 0.00 -0.39 -0.04 121.76 128.95 3gtg s ALA 28 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3gtg s ALA 28 Cb -0.20 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3gtg s ALA 28 CO -0.04 -0.32 0.07 0.00 0.00 0.00 0.00 175.76 175.48 3gtg s ALA 29 N -2.65 1.24 0.75 0.00 0.00 -0.55 -0.45 121.76 120.10 3gtg s ALA 29 Ca -0.05 -1.65 -0.10 0.00 0.00 0.00 0.00 51.96 50.17 3gtg s ALA 29 Cb -0.01 0.97 0.06 0.00 0.00 0.00 0.00 23.12 24.14 3gtg s ALA 29 CO -0.05 -0.47 1.10 0.45 0.00 0.00 0.00 175.76 176.79 3gtg s SER 30 N -3.16 4.80 -0.20 0.00 0.15 -1.25 0.15 113.70 114.19 3gtg s SER 30 Ca 0.31 0.73 -0.04 0.00 0.70 0.00 0.00 55.95 57.64 3gtg s SER 30 Cb 0.07 -1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 63.02 3gtg s SER 30 CO 0.08 -1.68 -0.02 -0.89 1.20 0.00 0.00 173.24 171.93 3gtg s THR 31 N -3.41 3.73 0.00 6.45 2.01 -1.13 -4.62 115.64 118.68 3gtg s THR 31 Ca 0.60 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.22 3gtg s THR 31 Cb -0.11 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.72 3gtg s THR 31 CO 0.48 0.44 0.00 0.41 -0.69 0.00 0.00 174.62 175.26 3gtg n THR 32 N 4.28 0.00 0.56 -0.82 -1.04 -1.26 -4.73 114.28 111.27 3gtg n THR 32 Ca -0.17 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.80 3gtg n THR 32 Cb 0.52 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.05 3gtg n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtg n GLN 33 N -1.35 1.21 0.00 -2.82 1.13 -1.26 -4.96 117.38 109.33 3gtg n GLN 33 Ca 0.00 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 3gtg n GLN 33 Cb 0.00 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.16 3gtg n GLN 33 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3gtg n ASP 34 N 0.29 0.00 -4.56 1.08 8.00 -1.26 -4.04 116.55 116.06 3gtg n ASP 34 Ca 0.10 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.33 3gtg n ASP 34 Cb 0.68 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.73 3gtg n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtg s GLN 35 N 0.00 2.06 -0.28 -1.24 -2.07 -1.26 -4.76 119.66 112.11 3gtg s GLN 35 Ca 0.00 0.70 -0.23 0.00 -1.82 0.00 0.00 55.36 54.01 3gtg s GLN 35 Cb 0.00 -4.70 0.10 0.00 -1.09 0.00 0.00 33.01 27.32 3gtg s GLN 35 CO 0.00 -3.65 0.86 0.00 -1.32 0.00 0.00 175.29 171.18 3gtg s LYS 37 N 0.53 1.57 -0.23 0.00 -2.85 -1.25 -3.92 119.74 113.59 3gtg s LYS 37 Ca -0.01 -1.34 -0.09 0.00 -1.00 0.00 0.00 55.97 53.54 3gtg s LYS 37 Cb -0.05 0.45 0.10 0.00 -2.06 0.00 0.00 37.83 36.28 3gtg s LYS 37 CO -0.05 -0.65 0.51 -1.17 0.10 0.00 0.00 175.35 174.09 3gtg s LEU 38 N -3.06 -0.80 -0.30 2.77 2.96 0.40 -0.65 118.68 120.01 3gtg s LEU 38 Ca 0.25 1.21 -0.10 0.00 -0.22 0.00 0.00 54.13 55.27 3gtg s LEU 38 Cb -0.00 1.73 -0.02 0.00 0.50 0.00 0.00 46.19 48.40 3gtg s LEU 38 CO 0.11 -0.23 0.15 -0.89 -1.32 0.00 0.00 176.35 174.17 3gtg s THR 39 N 2.59 4.68 0.01 3.68 2.01 -0.09 -1.26 115.64 127.26 3gtg s THR 39 Ca -0.04 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3gtg s THR 39 Cb -0.11 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 3gtg s THR 39 CO -0.15 0.14 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.68 3gtg s LEU 40 N 1.64 2.10 -0.36 4.42 2.96 0.14 0.47 118.68 130.04 3gtg s LEU 40 Ca 0.05 -0.21 -0.17 0.00 -0.22 0.00 0.00 54.13 53.59 3gtg s LEU 40 Cb -0.17 -0.00 -0.00 0.00 0.50 0.00 0.00 46.19 46.52 3gtg s LEU 40 CO 0.07 -0.11 0.44 -1.81 -1.32 0.00 0.00 176.35 173.62 3gtg s ASP 41 N -0.59 6.23 -0.13 3.68 1.01 -0.65 0.78 116.67 127.00 3gtg s ASP 41 Ca -0.06 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 52.93 3gtg s ASP 41 Cb -0.04 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 3gtg s ASP 41 CO -0.00 -0.44 -0.04 -0.63 0.21 0.00 0.00 175.17 174.26 3gtg s ILE 42 N 2.19 3.85 -1.14 0.77 -1.09 0.33 -4.80 121.20 121.31 3gtg s ILE 42 Ca 0.14 -0.39 -0.21 0.00 -2.23 0.00 0.00 60.65 57.97 3gtg s ILE 42 Cb -0.16 -2.66 0.05 0.00 -1.58 0.00 0.00 42.46 38.11 3gtg s ILE 42 CO 0.13 0.52 1.61 0.21 -1.23 0.00 0.00 174.94 176.18 3gtg s ASN 43 N 0.07 6.52 0.50 3.58 3.84 -1.26 -0.36 114.94 127.82 3gtg s ASN 43 Ca -0.01 -1.83 0.22 0.00 0.21 0.00 0.00 52.86 51.45 3gtg s ASN 43 Cb -0.14 -2.57 1.32 0.00 -0.55 0.00 0.00 41.25 39.31 3gtg s ASN 43 CO 0.03 -1.49 2.07 0.58 -2.79 0.00 0.00 177.10 175.50 3gtg h VAL 44 N 6.29 0.81 -0.40 -5.21 2.07 -1.54 -2.34 116.25 115.93 3gtg h VAL 44 Ca 0.30 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.42 3gtg h VAL 44 Cb 0.95 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3gtg h VAL 44 CO 1.42 0.12 0.27 -0.08 0.02 0.00 0.00 177.57 179.32 3gtg h GLU 45 N 0.00 0.29 0.02 1.57 4.81 -1.82 -2.62 114.58 116.82 3gtg h GLU 45 Ca -0.00 -0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 58.85 3gtg h GLU 45 Cb 0.26 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 3gtg h GLU 45 CO 0.02 0.19 -2.23 1.28 -0.73 0.00 0.00 179.01 177.53 3gtg n LEU 46 N -4.47 1.25 -3.74 1.64 4.77 -0.90 -4.81 117.00 110.73 3gtg n LEU 46 Ca 0.05 0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.81 3gtg n LEU 46 Cb 0.26 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 3gtg n LEU 46 CO 0.35 0.63 -0.33 0.12 -1.33 0.00 0.00 177.39 176.83 3gtg s PHE 47 N -2.53 1.70 -0.22 -1.77 5.36 -1.08 -5.11 117.98 114.33 3gtg s PHE 47 Ca -0.17 -1.69 -0.29 0.00 -0.96 0.00 0.00 56.93 53.82 3gtg s PHE 47 Cb 0.07 -1.68 -0.01 0.00 -0.34 0.00 0.00 43.02 41.07 3gtg s PHE 47 CO 0.76 -0.86 1.28 -1.25 -1.46 0.00 0.00 175.22 173.69 3gtg s PRO 48 N 1.62 4.10 -0.16 10.12 0.04 -1.01 -4.29 135.00 145.42 3gtg s PRO 48 Ca 0.09 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 3gtg s PRO 48 Cb -0.17 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 3gtg s PRO 48 CO -0.24 -0.88 -0.11 0.08 0.04 0.00 0.00 177.00 175.89 3gtg s VAL 49 N 3.88 3.10 0.16 -0.36 1.01 -1.26 -5.12 120.40 121.80 3gtg s VAL 49 Ca 0.55 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.97 3gtg s VAL 49 Cb -0.20 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3gtg s VAL 49 CO 0.18 0.49 0.04 0.00 0.00 0.00 0.00 175.10 175.81 3gtg s ALA 50 N 0.76 3.32 0.78 5.51 0.00 -1.26 -4.99 121.76 125.87 3gtg s ALA 50 Ca -0.04 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 3gtg s ALA 50 Cb -0.15 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.88 3gtg s ALA 50 CO 0.01 0.52 0.95 0.00 0.00 0.00 0.00 175.76 177.24 3gtg n ALA 51 N -0.10 -0.54 -2.77 0.00 0.00 -1.26 -3.97 120.51 111.87 3gtg n ALA 51 Ca -0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 3gtg n ALA 51 Cb 0.55 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.91 3gtg n ALA 51 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3gtg n GLN 52 N -2.26 -1.29 -4.49 0.00 7.27 -1.01 -5.05 117.38 110.55 3gtg n GLN 52 Ca 0.12 1.07 -0.25 0.00 0.07 0.00 0.00 57.00 58.01 3gtg n GLN 52 Cb 0.50 -4.86 -0.08 0.00 2.41 0.00 0.00 30.24 28.22 3gtg n GLN 52 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3gtg s ASP 53 N -2.97 2.69 -0.03 1.69 1.01 -1.25 -4.94 116.67 112.86 3gtg s ASP 53 Ca 0.13 -1.71 -0.00 0.00 0.71 0.00 0.00 52.55 51.67 3gtg s ASP 53 Cb -0.02 0.56 0.03 0.00 1.01 0.00 0.00 42.92 44.50 3gtg s ASP 53 CO 0.58 -0.98 0.02 -0.94 0.21 0.00 0.00 175.17 174.06 3gtg s SER 54 N -3.59 0.63 0.36 0.27 1.04 -1.26 -2.19 113.70 108.96 3gtg s SER 54 Ca 0.25 -0.00 0.09 0.00 0.48 0.00 0.00 55.95 56.77 3gtg s SER 54 Cb 0.02 -0.21 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 3gtg s SER 54 CO 0.16 -0.14 -0.08 -0.76 0.98 0.00 0.00 173.24 173.41 3gtg s LEU 55 N 1.35 2.76 -0.16 2.42 1.43 -0.84 -4.81 118.68 120.84 3gtg s LEU 55 Ca -0.05 -1.23 0.01 0.00 -1.03 0.00 0.00 54.13 51.83 3gtg s LEU 55 Cb -0.13 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.11 3gtg s LEU 55 CO -0.03 -0.25 -0.19 -0.89 0.23 0.00 0.00 176.35 175.23 3gtg s THR 56 N -2.63 2.30 -0.18 5.49 2.01 -1.19 -1.83 115.64 119.60 3gtg s THR 56 Ca 0.33 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.45 3gtg s THR 56 Cb 0.04 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.62 3gtg s THR 56 CO 0.17 0.53 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.74 3gtg s VAL 57 N 0.97 2.03 -0.03 3.82 1.01 0.00 -3.26 120.40 124.94 3gtg s VAL 57 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3gtg s VAL 57 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3gtg s VAL 57 CO -0.04 0.54 -0.09 -0.89 0.00 0.00 0.00 175.10 174.61 3gtg s THR 58 N 1.28 0.81 0.16 3.92 2.01 -0.84 -1.31 115.64 121.67 3gtg s THR 58 Ca 0.04 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.77 3gtg s THR 58 Cb -0.13 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3gtg s THR 58 CO -0.12 0.26 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.25 3gtg s ILE 59 N 0.27 1.80 0.00 1.82 -1.09 -0.43 -0.90 121.20 122.68 3gtg s ILE 59 Ca -0.05 -1.87 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 3gtg s ILE 59 Cb -0.10 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.98 3gtg s ILE 59 CO 0.01 -0.29 0.00 0.00 -1.23 0.00 0.00 174.94 173.43 3gtg n ALA 60 N 0.38 0.00 -1.78 9.38 0.00 -1.26 -1.31 120.51 125.93 3gtg n ALA 60 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 3gtg n ALA 60 Cb 0.57 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.17 3gtg n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gtg n SER 61 N 0.00 2.30 -4.78 0.00 3.41 -1.24 -2.73 113.62 110.58 3gtg n SER 61 Ca 0.00 -3.70 -0.38 0.00 -0.26 0.00 0.00 58.87 54.54 3gtg n SER 61 Cb 0.00 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 3gtg n SER 61 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gtg s SER 62 N -3.23 7.36 0.00 4.04 1.04 -1.26 -4.93 113.70 116.72 3gtg s SER 62 Ca 0.40 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.61 3gtg s SER 62 Cb 0.38 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.94 3gtg s SER 62 CO -0.05 0.01 0.00 0.18 0.98 0.00 0.00 173.24 174.36 3gtg n LEU 63 N 0.84 -0.25 -1.19 2.42 4.77 -1.26 -4.94 117.00 117.39 3gtg n LEU 63 Ca -0.00 0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3gtg n LEU 63 Cb 0.50 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3gtg n LEU 63 CO 0.45 -0.12 -0.01 -0.24 -1.33 0.00 0.00 177.39 176.14 3gtg n SER 74 N 1.33 -0.16 0.00 -1.43 2.88 -1.26 -5.00 113.62 109.98 3gtg n SER 74 Ca 0.00 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3gtg n SER 74 Cb 0.02 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 3gtg n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gtg n ALA 75 N -0.55 0.00 -2.95 -1.46 0.00 -1.26 -4.19 120.51 110.10 3gtg n ALA 75 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 3gtg n ALA 75 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 3gtg n ALA 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gtg s THR 76 N 0.00 5.00 0.04 0.00 2.01 -1.26 -5.03 115.64 116.41 3gtg s THR 76 Ca 0.00 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 3gtg s THR 76 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3gtg s THR 76 CO 0.00 -0.83 0.94 -0.13 -0.69 0.00 0.00 174.62 173.91 3gtg s ARG 77 N 2.24 4.60 -0.21 4.92 0.52 -1.26 -4.89 118.95 124.87 3gtg s ARG 77 Ca 0.10 1.37 -0.42 0.00 -0.52 0.00 0.00 55.73 56.25 3gtg s ARG 77 Cb -0.23 -3.42 -0.19 0.00 0.52 0.00 0.00 34.95 31.63 3gtg s ARG 77 CO 0.08 0.09 1.37 -1.13 0.02 0.00 0.00 175.30 175.73 3gtg n SER 78 N 3.37 0.87 -4.58 0.23 3.41 -1.26 -4.68 113.62 110.98 3gtg n SER 78 Ca 0.03 1.16 -0.46 0.00 -0.26 0.00 0.00 58.87 59.34 3gtg n SER 78 Cb 0.50 -0.95 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 3gtg n SER 78 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3gtg n TRP 79 N 2.96 2.00 -2.58 7.33 -0.00 -1.26 -4.93 117.44 120.96 3gtg n TRP 79 Ca 0.25 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.50 57.30 3gtg n TRP 79 Cb 0.04 -2.67 -0.03 0.00 -0.00 0.00 0.00 31.31 28.65 3gtg n TRP 79 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3gtg s ARG 80 N 5.68 4.45 0.02 5.87 0.52 -1.26 -4.99 118.95 129.23 3gtg s ARG 80 Ca 1.00 1.55 -0.37 0.00 -0.52 0.00 0.00 55.73 57.39 3gtg s ARG 80 Cb -0.55 -3.48 -0.17 0.00 0.52 0.00 0.00 34.95 31.27 3gtg s ARG 80 CO 0.43 -0.26 1.42 -2.30 0.02 0.00 0.00 175.30 174.61 3gtg n PRO 81 N 4.51 1.15 0.00 3.54 -0.02 -1.26 -4.87 135.00 138.05 3gtg n PRO 81 Ca 0.09 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3gtg n PRO 81 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3gtg n PRO 81 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gtg n PRO 82 N 3.08 0.00 -3.37 0.52 -0.02 -1.26 -4.89 135.00 129.06 3gtg n PRO 82 Ca 0.20 0.26 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 3gtg n PRO 82 Cb 0.18 -0.77 0.07 0.00 -0.02 0.00 0.00 33.50 32.96 3gtg n PRO 82 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3gtg n GLN 83 N -0.53 -6.45 -0.03 -0.52 7.27 -1.26 -4.93 117.38 110.93 3gtg n GLN 83 Ca 0.00 0.71 0.05 0.00 0.07 0.00 0.00 57.00 57.83 3gtg n GLN 83 Cb 0.00 -5.36 0.26 0.00 2.41 0.00 0.00 30.24 27.55 3gtg n GLN 83 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3gtg n ALA 84 N -4.35 2.54 0.24 1.69 0.00 -1.26 -3.12 120.51 116.23 3gtg n ALA 84 Ca -0.06 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.34 3gtg n ALA 84 Cb 0.58 -1.12 0.48 0.00 0.00 0.00 0.00 19.45 19.38 3gtg n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gtg h GLY 85 N 5.60 0.00 0.00 0.00 0.00 -2.00 -3.38 103.07 103.29 3gtg h GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gtg h GLY 85 CO 0.00 0.00 -0.68 1.22 0.00 0.00 0.00 176.54 177.08 3gtg n ASP 86 N -3.25 1.50 -4.60 0.19 8.00 -1.18 -4.93 116.55 112.28 3gtg n ASP 86 Ca 0.01 0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.33 3gtg n ASP 86 Cb 0.42 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 3gtg n ASP 86 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3gtg s ARG 87 N -2.46 3.66 0.33 -1.24 3.52 -1.24 -4.97 118.95 116.55 3gtg s ARG 87 Ca -0.20 0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 55.83 3gtg s ARG 87 Cb 0.03 -3.95 -0.13 0.00 -1.56 0.00 0.00 34.95 29.34 3gtg s ARG 87 CO 0.29 -1.46 1.21 -1.13 -0.81 0.00 0.00 175.30 173.41 3gtg n SER 88 N 8.23 2.35 -4.93 -2.12 3.41 -1.26 -4.55 113.62 114.75 3gtg n SER 88 Ca 0.14 1.20 -0.26 0.00 -0.26 0.00 0.00 58.87 59.69 3gtg n SER 88 Cb 0.49 -1.43 0.07 0.00 -0.26 0.00 0.00 64.21 63.07 3gtg n SER 88 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3gtg s LEU 89 N -0.63 2.83 -0.07 1.04 0.05 -1.26 -5.01 118.68 115.62 3gtg s LEU 89 Ca 0.56 0.46 0.19 0.00 0.05 0.00 0.00 54.13 55.40 3gtg s LEU 89 Cb -0.60 -3.12 0.68 0.00 -2.05 0.00 0.00 46.19 41.10 3gtg s LEU 89 CO 0.62 -1.58 1.58 0.00 -0.55 0.00 0.00 176.35 176.42 3gtg n ALA 90 N -2.91 2.82 -3.73 1.48 0.00 -1.26 -4.99 120.51 111.92 3gtg n ALA 90 Ca 0.08 -1.50 -0.16 0.00 0.00 0.00 0.00 53.44 51.85 3gtg n ALA 90 Cb 0.60 -0.95 -0.16 0.00 0.00 0.00 0.00 19.45 18.94 3gtg n ALA 90 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3gtg s ASP 91 N -0.97 0.42 -0.12 0.00 -4.77 -1.26 -4.95 116.67 105.03 3gtg s ASP 91 Ca 0.49 0.11 0.18 0.00 -3.30 0.00 0.00 52.55 50.03 3gtg s ASP 91 Cb 0.30 -0.03 0.69 0.00 -1.09 0.00 0.00 42.92 42.79 3gtg s ASP 91 CO 0.27 -0.18 1.61 0.47 0.70 0.00 0.00 175.17 178.04 3gtg n ASP 92 N 4.61 4.66 -4.85 2.11 9.92 -1.26 -5.04 116.55 126.72 3gtg n ASP 92 Ca -0.19 -2.48 -0.36 0.00 -0.53 0.00 0.00 54.79 51.24 3gtg n ASP 92 Cb 0.50 -0.56 -0.06 0.00 -0.64 0.00 0.00 41.12 40.36 3gtg n ASP 92 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3gtg s TYR 93 N -1.89 3.50 0.11 1.24 1.51 -1.26 -4.96 117.35 115.59 3gtg s TYR 93 Ca 0.49 0.42 -0.27 0.00 -1.01 0.00 0.00 57.07 56.71 3gtg s TYR 93 Cb 0.32 -1.88 -0.08 0.00 -0.11 0.00 0.00 41.96 40.21 3gtg s TYR 93 CO 0.23 0.67 1.64 -0.44 -1.11 0.00 0.00 175.55 176.54 3gtg h ASP 94 N 4.72 -0.72 -3.32 2.29 5.19 -1.16 -3.45 116.42 119.97 3gtg h ASP 94 Ca -0.53 0.09 -0.46 0.00 -0.62 0.00 0.00 57.03 55.51 3gtg h ASP 94 Cb 1.21 0.27 -0.36 0.00 0.18 0.00 0.00 39.33 40.64 3gtg h ASP 94 CO 0.60 -0.34 -0.78 -0.47 -3.12 0.00 0.00 179.24 175.13 3gtg s TYR 95 N -6.07 0.98 0.05 4.55 6.04 -0.13 -4.99 117.35 117.79 3gtg s TYR 95 Ca -0.15 -0.36 0.04 0.00 0.04 0.00 0.00 57.07 56.63 3gtg s TYR 95 Cb 0.08 -0.89 -0.02 0.00 -1.04 0.00 0.00 41.96 40.09 3gtg s TYR 95 CO 0.65 -0.32 -0.12 0.08 -1.54 0.00 0.00 175.55 174.31 3gtg s VAL 96 N 1.40 0.89 0.08 3.14 1.01 -1.26 -0.06 120.40 125.59 3gtg s VAL 96 Ca -0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3gtg s VAL 96 Cb -0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3gtg s VAL 96 CO -0.03 -0.17 0.07 -0.04 0.00 0.00 0.00 175.10 174.93 3gtg s MET 97 N -1.36 0.76 -0.11 2.72 -1.94 -0.77 -5.00 119.30 113.59 3gtg s MET 97 Ca -0.03 -1.16 0.03 0.00 -1.71 0.00 0.00 55.69 52.82 3gtg s MET 97 Cb -0.09 0.27 0.01 0.00 2.01 0.00 0.00 34.83 37.03 3gtg s MET 97 CO 0.01 -0.20 -0.19 -0.47 -0.01 0.00 0.00 175.02 174.16 3gtg s TYR 98 N -3.92 2.28 0.13 -0.03 5.04 -1.26 -1.66 117.35 117.93 3gtg s TYR 98 Ca 0.09 -1.05 0.01 0.00 -2.44 0.00 0.00 57.07 53.68 3gtg s TYR 98 Cb 0.07 -1.58 -0.01 0.00 0.35 0.00 0.00 41.96 40.79 3gtg s TYR 98 CO -0.08 -0.49 0.05 0.41 -1.34 0.00 0.00 175.55 174.10 3gtg n GLY 99 N 3.96 3.80 3.15 8.97 0.00 0.58 -4.06 105.19 121.60 3gtg n GLY 99 Ca -0.20 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 3gtg n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gtg s THR 100 N -2.09 1.29 0.14 2.61 2.01 0.55 -3.68 115.64 116.48 3gtg s THR 100 Ca 0.08 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3gtg s THR 100 Cb 0.00 -1.09 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 3gtg s THR 100 CO 0.05 0.30 0.97 0.00 -0.69 0.00 0.00 174.62 175.24 3gtg s ALA 101 N -0.48 3.27 0.00 7.40 0.00 -1.22 -0.46 121.76 130.27 3gtg s ALA 101 Ca 0.06 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3gtg s ALA 101 Cb -0.07 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3gtg s ALA 101 CO -0.00 0.01 0.00 2.48 0.00 0.00 0.00 175.76 178.25 3gtg n TYR 102 N 2.50 0.00 0.00 0.00 0.18 -1.04 -4.77 117.16 114.02 3gtg n TYR 102 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 3gtg n TYR 102 Cb 0.49 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 3gtg n TYR 102 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 3gtg n LYS 103 N -0.96 0.00 -5.28 -3.48 3.00 -1.26 -5.08 118.16 105.09 3gtg n LYS 103 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 3gtg n LYS 103 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 3gtg n LYS 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3gtg s PHE 104 N -2.00 2.36 -0.19 5.64 2.99 -1.26 -2.97 117.98 122.55 3gtg s PHE 104 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 56.93 56.29 3gtg s PHE 104 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 43.02 41.45 3gtg s PHE 104 CO 0.00 -0.12 0.07 -2.00 -0.00 0.00 0.00 175.22 173.17 3gtg s GLU 105 N -0.41 3.99 -0.21 0.44 2.12 -0.90 -5.01 118.70 118.71 3gtg s GLU 105 Ca 0.04 -0.33 0.19 0.00 0.36 0.00 0.00 54.97 55.23 3gtg s GLU 105 Cb -0.12 -3.24 0.48 0.00 0.26 0.00 0.00 34.13 31.51 3gtg s GLU 105 CO 0.01 0.26 1.15 0.39 -0.54 0.00 0.00 175.26 176.52 3gtg n GLU 106 N 3.59 1.77 -2.46 4.30 -0.58 -1.26 -3.13 120.64 122.86 3gtg n GLU 106 Ca -0.16 -3.34 -0.43 0.00 -0.42 0.00 0.00 57.16 52.81 3gtg n GLU 106 Cb 0.52 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.93 3gtg n GLU 106 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3gtg s VAL 107 N -3.21 4.32 0.00 2.62 1.01 -1.26 -4.66 120.40 119.23 3gtg s VAL 107 Ca 0.34 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.94 3gtg s VAL 107 Cb 0.35 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3gtg s VAL 107 CO -0.05 -0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.42 3gtg n SER 108 N 6.09 0.00 -0.81 3.32 3.41 -1.26 -4.96 113.62 119.41 3gtg n SER 108 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3gtg n SER 108 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3gtg n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gtg n LYS 109 N 14.00 -2.16 0.00 4.33 5.02 -1.26 -4.79 118.16 133.30 3gtg n LYS 109 Ca 0.00 1.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.88 3gtg n LYS 109 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3gtg n LYS 109 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gtg n ASP 110 N 0.03 0.00 -0.45 4.39 4.64 -1.26 -5.00 116.55 118.90 3gtg n ASP 110 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3gtg n ASP 110 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3gtg n ASP 110 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3gtg n LEU 111 N 0.00 0.00 -3.49 -2.67 4.32 -1.26 -4.85 117.00 109.05 3gtg n LEU 111 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 3gtg n LEU 111 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 3gtg n LEU 111 CO 0.00 0.00 0.63 -0.51 -1.22 0.00 0.00 177.39 176.29 3gtg s ILE 112 N -0.41 0.00 -0.15 -0.08 2.07 0.93 -4.87 121.20 118.69 3gtg s ILE 112 Ca 0.00 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 3gtg s ILE 112 Cb 0.00 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.64 3gtg s ILE 112 CO 0.00 0.00 0.36 0.00 -1.91 0.00 0.00 174.94 173.39 3gtg s ALA 113 N -3.22 -0.89 0.03 1.50 0.00 -1.18 -2.29 121.76 115.71 3gtg s ALA 113 Ca 0.04 1.30 -0.06 0.00 0.00 0.00 0.00 51.96 53.24 3gtg s ALA 113 Cb -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 3gtg s ALA 113 CO -0.10 -0.23 0.28 0.14 0.00 0.00 0.00 175.76 175.86 3gtg s VAL 114 N 1.14 5.28 -0.16 0.00 -7.23 -0.71 -2.12 120.40 116.59 3gtg s VAL 114 Ca -0.08 0.11 -0.01 0.00 -1.81 0.00 0.00 61.98 60.20 3gtg s VAL 114 Cb -0.08 -3.58 -0.00 0.00 0.56 0.00 0.00 36.38 33.27 3gtg s VAL 114 CO -0.09 0.30 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.55 3gtg s TYR 115 N -1.37 2.82 0.01 2.82 1.51 -1.16 -2.30 117.35 119.68 3gtg s TYR 115 Ca 0.30 -0.97 0.05 0.00 -1.01 0.00 0.00 57.07 55.45 3gtg s TYR 115 Cb -0.13 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 3gtg s TYR 115 CO 0.18 -0.45 -0.16 0.71 -1.11 0.00 0.00 175.55 174.73 3gtg s TYR 116 N 0.86 1.43 -0.26 2.71 1.51 0.18 -2.50 117.35 121.27 3gtg s TYR 116 Ca -0.04 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3gtg s TYR 116 Cb -0.15 -0.89 0.07 0.00 -0.11 0.00 0.00 41.96 40.88 3gtg s TYR 116 CO -0.00 0.01 -0.01 0.45 -1.11 0.00 0.00 175.55 174.89 3gtg s SER 117 N -0.70 4.02 -1.28 2.29 0.15 0.39 -0.18 113.70 118.39 3gtg s SER 117 Ca 0.05 -1.42 -0.17 0.00 0.70 0.00 0.00 55.95 55.11 3gtg s SER 117 Cb -0.07 -1.19 0.09 0.00 -1.71 0.00 0.00 66.02 63.14 3gtg s SER 117 CO 0.00 -0.29 1.67 -0.36 1.20 0.00 0.00 173.24 175.46 3gtg s PHE 118 N 1.36 2.91 -0.96 3.44 0.40 0.81 -0.33 117.98 125.62 3gtg s PHE 118 Ca -0.00 -1.71 -0.11 0.00 -0.60 0.00 0.00 56.93 54.51 3gtg s PHE 118 Cb -0.19 -4.67 0.11 0.00 0.51 0.00 0.00 43.02 38.78 3gtg s PHE 118 CO -0.10 -1.73 0.26 0.41 0.70 0.00 0.00 175.22 174.76 3gtg n GLY 119 N 5.18 -0.19 0.00 4.36 0.00 -1.26 -1.90 105.19 111.39 3gtg n GLY 119 Ca 0.46 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3gtg n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtg n GLY 120 N -0.95 2.53 3.70 -0.02 0.00 -1.26 -5.10 105.19 104.09 3gtg n GLY 120 Ca 0.03 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3gtg n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtg s LEU 121 N 0.00 4.33 0.23 0.99 1.43 -0.80 -5.02 118.68 119.85 3gtg s LEU 121 Ca 0.00 1.96 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 3gtg s LEU 121 Cb 0.00 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3gtg s LEU 121 CO 0.00 -0.54 0.29 -0.76 0.23 0.00 0.00 176.35 175.57 3gtg s LEU 122 N 1.63 4.13 -0.04 1.79 1.43 -1.26 -0.14 118.68 126.23 3gtg s LEU 122 Ca 0.58 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3gtg s LEU 122 Cb -0.28 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.29 3gtg s LEU 122 CO 0.26 -0.04 0.00 -0.32 0.23 0.00 0.00 176.35 176.48 3gtg s MET 123 N -3.83 0.36 -0.14 1.70 -2.45 0.74 -1.64 119.30 114.04 3gtg s MET 123 Ca 0.34 0.10 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 3gtg s MET 123 Cb -0.09 -0.61 -0.01 0.00 1.25 0.00 0.00 34.83 35.37 3gtg s MET 123 CO 0.27 -0.19 -0.15 0.50 1.05 0.00 0.00 175.02 176.50 3gtg s ARG 124 N 1.34 3.26 -0.01 4.11 3.52 0.18 -0.65 118.95 130.70 3gtg s ARG 124 Ca -0.05 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 3gtg s ARG 124 Cb -0.13 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 3gtg s ARG 124 CO -0.02 0.10 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.27 3gtg s LEU 125 N 0.60 2.01 -0.04 -0.88 2.96 -0.97 -0.91 118.68 121.45 3gtg s LEU 125 Ca -0.09 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3gtg s LEU 125 Cb -0.16 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 3gtg s LEU 125 CO 0.03 0.15 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.30 3gtg s GLU 126 N -0.27 2.41 0.00 1.98 2.12 0.18 -1.75 118.70 123.37 3gtg s GLU 126 Ca 0.04 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.54 3gtg s GLU 126 Cb -0.05 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.13 3gtg s GLU 126 CO -0.00 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 3gtg n GLY 127 N 2.57 -0.97 0.00 -1.50 0.00 -0.97 -3.82 105.19 100.49 3gtg n GLY 127 Ca -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3gtg n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gtg n ASN 128 N 0.63 0.00 -0.74 1.61 5.15 -1.26 -0.05 115.26 120.60 3gtg n ASN 128 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3gtg n ASN 128 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3gtg n ASN 128 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gtg n TYR 129 N -0.58 0.00 -1.26 1.20 0.18 -1.26 -3.70 117.16 111.74 3gtg n TYR 129 Ca 0.00 -0.19 -0.02 0.00 1.88 0.00 0.00 57.90 59.57 3gtg n TYR 129 Cb 0.00 -0.15 0.22 0.00 -0.38 0.00 0.00 39.34 39.03 3gtg n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3gtg n ARG 130 N 0.33 2.32 -0.24 -3.48 1.74 -1.26 -4.63 116.66 111.43 3gtg n ARG 130 Ca 0.00 -3.05 -0.07 0.00 -0.77 0.00 0.00 57.85 53.96 3gtg n ARG 130 Cb 0.30 -1.87 0.07 0.00 -1.02 0.00 0.00 32.46 29.94 3gtg n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3gtg h ASN 131 N 1.34 1.04 -0.60 0.55 2.35 -1.95 -3.04 115.58 115.27 3gtg h ASN 131 Ca 0.18 -0.22 -0.27 0.00 -0.55 0.00 0.00 56.30 55.44 3gtg h ASN 131 Cb 1.72 -0.27 -0.16 0.00 0.05 0.00 0.00 38.32 39.65 3gtg h ASN 131 CO 0.41 1.00 0.21 0.18 -1.65 0.00 0.00 177.43 177.57 3gtg n LEU 132 N -4.23 5.20 0.00 1.61 4.77 -1.26 -4.74 117.00 118.35 3gtg n LEU 132 Ca 0.05 -3.56 -0.01 0.00 -0.03 0.00 0.00 56.01 52.46 3gtg n LEU 132 Cb 0.26 -0.71 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3gtg n LEU 132 CO 0.42 1.07 -0.05 0.59 -1.33 0.00 0.00 177.39 178.09 3gtg n ASN 133 N -0.92 0.38 -4.61 -1.43 3.02 -1.15 -5.03 115.26 105.52 3gtg n ASN 133 Ca 0.41 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.61 3gtg n ASN 133 Cb 1.27 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 40.16 3gtg n ASN 133 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3gtg s ASN 134 N -5.10 6.52 0.47 6.41 -0.87 -1.24 -4.96 114.94 116.17 3gtg s ASN 134 Ca -0.02 0.52 -0.02 0.00 -1.57 0.00 0.00 52.86 51.77 3gtg s ASN 134 Cb 0.00 -2.33 -0.01 0.00 -0.02 0.00 0.00 41.25 38.90 3gtg s ASN 134 CO 0.03 -0.43 0.72 -0.76 -2.57 0.00 0.00 177.10 174.10 3gtg s LEU 135 N 2.55 3.60 -0.42 0.60 1.43 -1.26 -4.95 118.68 120.22 3gtg s LEU 135 Ca 0.25 0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 3gtg s LEU 135 Cb -0.15 -3.38 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 3gtg s LEU 135 CO 0.10 -0.71 2.10 0.29 0.23 0.00 0.00 176.35 178.37 3gtg n LYS 136 N -2.18 1.50 -4.09 1.70 5.02 -1.26 -4.90 118.16 113.95 3gtg n LYS 136 Ca 0.01 -0.95 -0.28 0.00 -2.02 0.00 0.00 58.31 55.07 3gtg n LYS 136 Cb 0.57 -2.09 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 3gtg n LYS 136 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3gtg s GLN 137 N 2.70 2.80 0.13 1.97 0.74 -1.26 -4.97 119.66 121.77 3gtg s GLN 137 Ca 0.36 -0.85 -0.14 0.00 0.05 0.00 0.00 55.36 54.78 3gtg s GLN 137 Cb 0.13 -2.62 -0.01 0.00 1.10 0.00 0.00 33.01 31.61 3gtg s GLN 137 CO -0.02 0.51 1.57 0.93 -0.55 0.00 0.00 175.29 177.73 3gtg h GLU 138 N 2.76 0.75 -6.55 1.67 4.39 -1.90 -3.22 114.58 112.48 3gtg h GLU 138 Ca -0.47 -0.25 -0.53 0.00 0.34 0.00 0.00 59.36 58.45 3gtg h GLU 138 Cb 1.19 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.80 3gtg h GLU 138 CO 0.63 0.84 0.72 -0.80 -1.16 0.00 0.00 179.01 179.24 3gtg s ASN 139 N -6.27 6.83 -0.30 1.42 -0.87 -1.26 -4.49 114.94 110.00 3gtg s ASN 139 Ca -0.13 2.33 -0.16 0.00 -1.57 0.00 0.00 52.86 53.33 3gtg s ASN 139 Cb 0.10 -2.59 0.17 0.00 -0.02 0.00 0.00 41.25 38.92 3gtg s ASN 139 CO 0.80 -0.64 1.06 0.00 -2.57 0.00 0.00 177.10 175.75 3gtg s ALA 140 N 1.04 -2.77 0.13 0.60 0.00 -1.24 -4.86 121.76 114.66 3gtg s ALA 140 Ca 0.64 2.02 0.01 0.00 0.00 0.00 0.00 51.96 54.62 3gtg s ALA 140 Cb -0.37 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 20.70 3gtg s ALA 140 CO 0.31 -0.86 0.06 0.66 0.00 0.00 0.00 175.76 175.92 3gtg n TYR 141 N 4.67 -0.68 -3.44 0.00 4.02 -1.10 -0.31 117.16 120.32 3gtg n TYR 141 Ca -0.10 -0.57 0.01 0.00 -0.01 0.00 0.00 57.90 57.23 3gtg n TYR 141 Cb 0.54 -0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.72 3gtg n TYR 141 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3gtg s LEU 142 N 0.00 -0.59 -0.13 7.72 2.96 -0.66 -4.50 118.68 123.48 3gtg s LEU 142 Ca 0.04 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 3gtg s LEU 142 Cb -0.00 1.69 0.01 0.00 0.50 0.00 0.00 46.19 48.39 3gtg s LEU 142 CO 0.03 -0.12 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.98 3gtg s LEU 143 N 2.32 2.02 0.00 -0.68 1.02 -0.08 -1.84 118.68 121.44 3gtg s LEU 143 Ca -0.04 -0.56 0.07 0.00 0.02 0.00 0.00 54.13 53.63 3gtg s LEU 143 Cb -0.06 -1.36 -0.02 0.00 0.02 0.00 0.00 46.19 44.77 3gtg s LEU 143 CO -0.17 0.07 -0.23 -0.63 0.02 0.00 0.00 176.35 175.41 3gtg s ILE 144 N 0.83 1.82 0.13 -0.59 1.01 0.91 -1.98 121.20 123.33 3gtg s ILE 144 Ca -0.07 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.54 3gtg s ILE 144 Cb -0.15 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 3gtg s ILE 144 CO -0.01 0.44 0.10 -2.11 0.00 0.00 0.00 174.94 173.35 3gtg n ARG 145 N 2.31 0.30 -0.28 2.79 1.85 -1.20 -0.51 116.66 121.92 3gtg n ARG 145 Ca -0.16 -1.28 0.00 0.00 -1.00 0.00 0.00 57.85 55.41 3gtg n ARG 145 Cb 0.52 0.97 0.00 0.00 -1.05 0.00 0.00 32.46 32.91 3gtg n ARG 145 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16