#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swg s ARG 53 N 0.00 2.86 0.04 4.33 0.52 -1.26 -4.27 118.95 121.16 1swg s ARG 53 Ca 0.00 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1swg s ARG 53 Cb 0.00 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 1swg s ARG 53 CO 0.00 0.67 -0.13 0.71 0.02 0.00 0.00 175.30 176.57 1swg s TYR 54 N -0.92 1.16 0.45 -0.53 1.51 0.32 -4.85 117.35 114.49 1swg s TYR 54 Ca 0.15 -0.35 -0.24 0.00 -1.01 0.00 0.00 57.07 55.61 1swg s TYR 54 Cb -0.11 -0.69 -0.07 0.00 -0.11 0.00 0.00 41.96 40.97 1swg s TYR 54 CO 0.04 0.03 1.27 0.08 -1.11 0.00 0.00 175.55 175.86 1swg s VAL 55 N -0.86 2.67 0.15 0.71 1.01 -1.26 -0.20 120.40 122.61 1swg s VAL 55 Ca 0.01 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.60 1swg s VAL 55 Cb -0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1swg s VAL 55 CO 0.01 0.04 -0.15 -1.48 0.00 0.00 0.00 175.10 173.52 1swg s LEU 56 N -2.84 2.44 0.00 3.92 0.05 -0.53 -4.33 118.68 117.39 1swg s LEU 56 Ca 0.62 -0.87 -0.15 0.00 0.05 0.00 0.00 54.13 53.78 1swg s LEU 56 Cb -0.35 -0.63 0.02 0.00 -2.05 0.00 0.00 46.19 43.18 1swg s LEU 56 CO 0.44 -0.13 0.32 0.28 -0.55 0.00 0.00 176.35 176.71 1swg s THR 57 N -2.30 0.06 0.00 5.48 -1.32 -0.93 -2.94 115.64 113.70 1swg s THR 57 Ca 0.13 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 1swg s THR 57 Cb -0.04 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1swg s THR 57 CO 0.04 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1swg n GLY 58 N 1.08 1.15 3.03 6.08 0.00 -0.28 -1.28 105.19 114.98 1swg n GLY 58 Ca -0.21 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1swg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swg s ARG 59 N -0.96 0.41 0.04 1.61 1.81 -0.43 -1.47 118.95 119.95 1swg s ARG 59 Ca 0.00 -0.64 -0.00 0.00 -1.72 0.00 0.00 55.73 53.37 1swg s ARG 59 Cb 0.00 0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.62 1swg s ARG 59 CO 0.00 -0.08 -0.03 1.52 -0.68 0.00 0.00 175.30 176.03 1swg s TYR 60 N -1.79 0.46 -0.38 -0.53 1.13 -0.45 -1.36 117.35 114.44 1swg s TYR 60 Ca -0.12 -0.89 -0.29 0.00 -1.41 0.00 0.00 57.07 54.36 1swg s TYR 60 Cb -0.07 -0.33 0.00 0.00 -1.10 0.00 0.00 41.96 40.46 1swg s TYR 60 CO -0.02 -0.30 1.47 0.34 -2.51 0.00 0.00 175.55 174.53 1swg s ASP 61 N -2.45 6.30 0.00 -0.18 2.15 0.04 -4.38 116.67 118.15 1swg s ASP 61 Ca -0.00 0.98 0.27 0.00 0.43 0.00 0.00 52.55 54.23 1swg s ASP 61 Cb 0.02 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 41.39 1swg s ASP 61 CO -0.07 -1.43 1.87 -1.54 -0.17 0.00 0.00 175.17 173.83 1swg n SER 62 N 8.91 0.84 -3.19 -0.34 3.41 -1.26 -3.90 113.62 118.09 1swg n SER 62 Ca 0.17 -1.36 -0.22 0.00 -0.26 0.00 0.00 58.87 57.21 1swg n SER 62 Cb 0.47 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1swg n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swg n ALA 63 N -0.31 2.24 -0.62 7.33 0.00 -1.26 -4.96 120.51 122.93 1swg n ALA 63 Ca 0.20 -3.39 -0.29 0.00 0.00 0.00 0.00 53.44 49.96 1swg n ALA 63 Cb 0.23 -0.86 0.23 0.00 0.00 0.00 0.00 19.45 19.05 1swg n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swg s PRO 64 N -1.64 -0.43 0.79 0.00 0.04 -1.25 -4.98 135.00 127.53 1swg s PRO 64 Ca 0.37 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1swg s PRO 64 Cb 0.24 -1.60 0.07 0.00 0.04 0.00 0.00 34.50 33.25 1swg s PRO 64 CO -0.10 -3.44 1.09 0.00 0.04 0.00 0.00 177.00 174.60 1swg s ALA 65 N -2.53 2.14 -0.47 8.56 0.00 -1.26 -4.97 121.76 123.22 1swg s ALA 65 Ca 0.68 0.22 0.14 0.00 0.00 0.00 0.00 51.96 52.99 1swg s ALA 65 Cb -0.24 -3.26 0.41 0.00 0.00 0.00 0.00 23.12 20.02 1swg s ALA 65 CO 0.63 -1.86 1.32 0.25 0.00 0.00 0.00 175.76 176.10 1swg n THR 66 N -3.58 1.69 1.02 0.00 -2.24 -1.26 -4.58 114.28 105.32 1swg n THR 66 Ca 0.09 -1.50 0.11 0.00 -2.27 0.00 0.00 64.05 60.48 1swg n THR 66 Cb 0.53 0.09 0.33 0.00 -2.10 0.00 0.00 70.33 69.18 1swg n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swg n ASP 67 N -0.13 2.06 0.00 3.42 5.68 -1.26 -4.90 116.55 121.43 1swg n ASP 67 Ca 0.16 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1swg n ASP 67 Cb 0.66 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1swg n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swg n GLY 68 N 1.21 0.48 3.77 6.12 0.00 -1.26 -5.09 105.19 110.41 1swg n GLY 68 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1swg n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 69 N -2.17 4.93 0.85 1.61 0.01 -1.26 -5.02 113.70 112.66 1swg s SER 69 Ca 0.00 1.94 -0.06 0.00 1.31 0.00 0.00 55.95 59.14 1swg s SER 69 Cb 0.00 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.80 1swg s SER 69 CO 0.00 -1.75 0.66 0.61 0.41 0.00 0.00 173.24 173.17 1swg n GLY 70 N -0.75 -0.63 3.45 3.44 0.00 -1.26 -4.79 105.19 104.65 1swg n GLY 70 Ca 0.10 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1swg n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swg s THR 71 N -2.23 4.80 0.38 2.61 2.01 0.27 -4.69 115.64 118.78 1swg s THR 71 Ca 0.39 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.65 1swg s THR 71 Cb -0.01 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1swg s THR 71 CO 0.27 -0.03 1.29 0.00 -0.69 0.00 0.00 174.62 175.45 1swg s ALA 72 N 1.63 3.33 0.26 7.40 0.00 -1.26 -0.84 121.76 132.29 1swg s ALA 72 Ca 0.04 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 1swg s ALA 72 Cb -0.18 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1swg s ALA 72 CO 0.08 -0.72 0.65 -0.48 0.00 0.00 0.00 175.76 175.29 1swg s LEU 73 N -2.21 -0.13 0.03 0.00 2.34 -0.00 -0.78 118.68 117.92 1swg s LEU 73 Ca 0.54 -0.64 -0.27 0.00 0.06 0.00 0.00 54.13 53.82 1swg s LEU 73 Cb -0.38 2.49 0.09 0.00 -0.56 0.00 0.00 46.19 47.83 1swg s LEU 73 CO 0.49 -1.27 0.78 -0.83 -1.06 0.00 0.00 176.35 174.45 1swg s GLY 74 N -2.93 -0.51 0.19 -3.48 0.00 -0.46 -0.86 107.32 99.26 1swg s GLY 74 Ca 0.13 0.96 -0.19 0.00 0.00 0.00 0.00 44.72 45.62 1swg s GLY 74 CO 0.06 0.41 0.55 0.66 0.00 0.00 0.00 173.10 174.78 1swg s TRP 75 N -2.93 -0.22 0.01 1.90 -2.14 -0.25 -1.32 118.94 113.98 1swg s TRP 75 Ca 0.01 -0.10 0.04 0.00 2.66 0.00 0.00 56.10 58.71 1swg s TRP 75 Cb -0.01 0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 30.80 1swg s TRP 75 CO -0.07 -0.92 -0.13 0.99 -2.66 0.00 0.00 176.95 174.16 1swg s THR 76 N -3.85 1.01 -0.14 0.66 2.01 -0.40 -0.55 115.64 114.38 1swg s THR 76 Ca 0.07 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1swg s THR 76 Cb -0.01 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1swg s THR 76 CO -0.05 0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.18 1swg s VAL 77 N -0.52 1.74 -0.21 3.82 1.01 -0.38 -2.18 120.40 123.68 1swg s VAL 77 Ca 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1swg s VAL 77 Cb -0.06 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1swg s VAL 77 CO 0.00 0.49 0.59 0.00 0.00 0.00 0.00 175.10 176.18 1swg s ALA 78 N 1.13 3.55 -0.79 5.51 0.00 -1.26 -0.40 121.76 129.50 1swg s ALA 78 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 1swg s ALA 78 Cb -0.14 -2.93 -0.18 0.00 0.00 0.00 0.00 23.12 19.87 1swg s ALA 78 CO -0.06 -0.57 3.31 0.91 0.00 0.00 0.00 175.76 179.35 1swg n TRP 79 N 5.08 1.17 -4.89 0.00 7.02 0.67 -4.71 117.44 121.78 1swg n TRP 79 Ca -0.02 -2.27 -0.28 0.00 -1.02 0.00 0.00 57.50 53.91 1swg n TRP 79 Cb 0.50 -2.03 -0.16 0.00 -2.42 0.00 0.00 31.31 27.19 1swg n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swg s LYS 80 N 1.57 2.14 0.00 -0.99 2.20 -1.26 -0.91 119.74 122.48 1swg s LYS 80 Ca 0.68 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1swg s LYS 80 Cb 0.25 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 1swg s LYS 80 CO -0.03 0.18 0.00 0.27 -0.36 0.00 0.00 175.35 175.41 1swg n ASN 81 N 3.42 0.59 -0.55 1.43 0.23 -0.33 -4.73 115.26 115.31 1swg n ASN 81 Ca -0.20 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 53.96 1swg n ASN 81 Cb 0.52 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.60 1swg n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swg n ASN 82 N 0.00 1.65 -0.02 0.53 5.03 -1.26 -4.09 115.26 117.09 1swg n ASN 82 Ca 0.00 -1.71 -0.03 0.00 0.87 0.00 0.00 54.58 53.71 1swg n ASN 82 Cb 0.00 -0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 38.62 1swg n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swg n TYR 83 N 0.31 0.00 -4.06 3.10 4.01 -1.26 -5.08 117.16 114.18 1swg n TYR 83 Ca 0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1swg n TYR 83 Cb 0.33 -0.22 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 1swg n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1swg s ARG 84 N -2.11 0.53 -0.18 -0.72 0.52 -1.26 -5.14 118.95 110.59 1swg s ARG 84 Ca -0.04 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.08 1swg s ARG 84 Cb 0.01 0.17 0.09 0.00 0.52 0.00 0.00 34.95 35.75 1swg s ARG 84 CO 0.17 -0.09 0.31 1.21 0.02 0.00 0.00 175.30 176.92 1swg s ASN 85 N -2.52 0.42 0.00 0.23 3.84 -1.26 -1.19 114.94 114.47 1swg s ASN 85 Ca 0.01 0.42 0.25 0.00 0.21 0.00 0.00 52.86 53.75 1swg s ASN 85 Cb 0.03 0.85 0.51 0.00 -0.55 0.00 0.00 41.25 42.09 1swg s ASN 85 CO -0.07 -0.27 1.41 0.00 -2.79 0.00 0.00 177.10 175.38 1swg n ALA 86 N 5.36 3.32 -3.49 1.71 0.00 -0.09 -4.97 120.51 122.35 1swg n ALA 86 Ca -0.06 -0.46 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 1swg n ALA 86 Cb 0.50 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.98 1swg n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swg n HIS 87 N -0.63 -2.14 -3.81 0.00 8.25 -1.26 -4.86 115.22 110.77 1swg n HIS 87 Ca 0.10 0.87 -0.08 0.00 -0.26 0.00 0.00 57.72 58.36 1swg n HIS 87 Cb 0.37 -4.63 -0.02 0.00 1.12 0.00 0.00 29.99 26.83 1swg n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swg s SER 88 N -4.14 -0.29 -0.06 0.41 1.04 -1.26 -0.82 113.70 108.58 1swg s SER 88 Ca 0.11 -0.54 -0.15 0.00 0.48 0.00 0.00 55.95 55.84 1swg s SER 88 Cb -0.02 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.83 1swg s SER 88 CO 0.76 -1.28 0.35 0.00 0.98 0.00 0.00 173.24 174.05 1swg s ALA 89 N -3.90 -0.88 -0.03 5.32 0.00 -0.62 -0.24 121.76 121.41 1swg s ALA 89 Ca 0.10 0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1swg s ALA 89 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1swg s ALA 89 CO 0.04 -0.24 -0.26 0.99 0.00 0.00 0.00 175.76 176.30 1swg s THR 90 N -0.79 2.05 -0.07 0.00 2.01 0.46 -1.26 115.64 118.03 1swg s THR 90 Ca -0.09 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 60.86 1swg s THR 90 Cb -0.04 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1swg s THR 90 CO 0.03 0.58 -0.20 0.42 -0.69 0.00 0.00 174.62 174.75 1swg s THR 91 N -0.44 2.47 -0.17 -0.82 -4.23 -0.18 -1.25 115.64 111.02 1swg s THR 91 Ca 0.05 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.61 1swg s THR 91 Cb -0.11 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 1swg s THR 91 CO 0.01 0.57 -0.05 0.26 -0.54 0.00 0.00 174.62 174.86 1swg s TRP 92 N -0.19 2.96 -0.14 3.99 0.51 0.28 -1.59 118.94 124.77 1swg s TRP 92 Ca -0.02 -0.56 0.02 0.00 -2.12 0.00 0.00 56.10 53.43 1swg s TRP 92 Cb -0.13 -1.99 0.01 0.00 -0.81 0.00 0.00 33.47 30.54 1swg s TRP 92 CO 0.03 -0.24 -0.21 0.45 -0.51 0.00 0.00 176.95 176.48 1swg s SER 93 N 0.75 3.25 0.00 2.95 0.15 -0.40 -1.10 113.70 119.30 1swg s SER 93 Ca -0.02 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1swg s SER 93 Cb -0.15 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1swg s SER 93 CO 0.02 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1swg n GLY 94 N 4.01 1.58 3.20 9.45 0.00 -0.04 -1.32 105.19 122.08 1swg n GLY 94 Ca -0.20 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1swg n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swg s GLN 95 N 1.80 0.59 -0.11 1.61 -2.07 -0.31 -0.82 119.66 120.36 1swg s GLN 95 Ca 0.00 -0.19 -0.24 0.00 -1.82 0.00 0.00 55.36 53.11 1swg s GLN 95 Cb 0.00 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 1swg s GLN 95 CO 0.00 -0.15 0.74 -0.47 -1.32 0.00 0.00 175.29 174.08 1swg s TYR 96 N -1.21 3.51 -0.18 9.60 5.04 -0.02 -0.93 117.35 133.16 1swg s TYR 96 Ca -0.13 1.23 -0.02 0.00 -2.44 0.00 0.00 57.07 55.72 1swg s TYR 96 Cb -0.06 -2.87 -0.00 0.00 0.35 0.00 0.00 41.96 39.38 1swg s TYR 96 CO 0.03 -0.04 -0.11 0.08 -1.34 0.00 0.00 175.55 174.18 1swg s VAL 97 N 1.31 2.95 0.00 3.14 1.01 0.67 -0.57 120.40 128.91 1swg s VAL 97 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1swg s VAL 97 Cb -0.17 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1swg s VAL 97 CO 0.16 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1swg n GLY 98 N 4.37 1.24 4.58 4.51 0.00 -1.26 -1.27 105.19 117.37 1swg n GLY 98 Ca -0.19 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1swg n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swg n GLY 99 N 5.00 -0.43 0.35 -0.02 0.00 -1.26 -4.31 105.19 104.52 1swg n GLY 99 Ca 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 46.02 44.70 1swg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg h ALA 100 N 0.00 1.67 -2.65 4.61 0.00 -2.00 -3.31 119.26 117.58 1swg h ALA 100 Ca 0.00 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 1swg h ALA 100 Cb 0.00 -0.21 -0.40 0.00 0.00 0.00 0.00 17.79 17.18 1swg h ALA 100 CO 0.00 0.21 -0.79 0.39 0.00 0.00 0.00 179.25 179.06 1swg n GLU 101 N -4.48 1.04 -2.10 0.00 -0.58 -1.26 -5.09 120.64 108.17 1swg n GLU 101 Ca 0.11 -3.82 -0.42 0.00 -0.42 0.00 0.00 57.16 52.61 1swg n GLU 101 Cb 0.22 -1.95 -0.03 0.00 -0.57 0.00 0.00 31.44 29.11 1swg n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swg s ALA 102 N -0.79 3.64 0.09 0.62 0.00 -1.25 -4.78 121.76 119.29 1swg s ALA 102 Ca 0.30 1.21 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 1swg s ALA 102 Cb 0.02 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1swg s ALA 102 CO -0.17 -0.66 0.19 1.03 0.00 0.00 0.00 175.76 176.15 1swg s ARG 103 N 0.79 0.85 -0.27 0.00 1.81 -0.39 -4.42 118.95 117.32 1swg s ARG 103 Ca 0.64 -0.97 -0.03 0.00 -1.72 0.00 0.00 55.73 53.66 1swg s ARG 103 Cb -0.39 0.34 0.03 0.00 -0.45 0.00 0.00 34.95 34.48 1swg s ARG 103 CO 0.33 -0.27 -0.02 0.42 -0.68 0.00 0.00 175.30 175.08 1swg s ILE 104 N -3.87 3.12 -0.26 1.52 1.01 -0.78 -0.24 121.20 121.71 1swg s ILE 104 Ca 0.05 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1swg s ILE 104 Cb 0.05 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1swg s ILE 104 CO -0.11 0.12 0.16 0.20 0.00 0.00 0.00 174.94 175.31 1swg s ASN 105 N 1.35 5.90 0.15 3.58 0.01 -0.11 -0.64 114.94 125.18 1swg s ASN 105 Ca -0.00 0.00 0.03 0.00 -0.71 0.00 0.00 52.86 52.19 1swg s ASN 105 Cb -0.17 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 1swg s ASN 105 CO -0.02 -0.00 -0.07 0.42 -1.51 0.00 0.00 177.10 175.91 1swg s THR 106 N 1.45 1.00 0.07 1.60 -4.23 -0.23 -1.16 115.64 114.14 1swg s THR 106 Ca 0.07 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1swg s THR 106 Cb -0.15 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 1swg s THR 106 CO 0.07 -0.70 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.11 1swg s GLN 107 N -3.80 1.50 0.12 3.99 -0.21 -0.43 -2.10 119.66 118.73 1swg s GLN 107 Ca 0.18 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.43 1swg s GLN 107 Cb 0.04 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.25 1swg s GLN 107 CO 0.01 0.44 -0.02 1.67 -2.12 0.00 0.00 175.29 175.26 1swg s TRP 108 N -0.92 0.93 -0.10 0.91 1.48 0.11 -1.27 118.94 120.08 1swg s TRP 108 Ca 0.11 -1.01 -0.00 0.00 -1.06 0.00 0.00 56.10 54.13 1swg s TRP 108 Cb -0.10 -0.54 0.02 0.00 -1.16 0.00 0.00 33.47 31.69 1swg s TRP 108 CO 0.03 -0.25 -0.06 -0.51 -4.06 0.00 0.00 176.95 172.10 1swg s LEU 109 N -3.06 1.11 -0.34 -4.66 1.43 -0.62 -1.68 118.68 110.85 1swg s LEU 109 Ca 0.16 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1swg s LEU 109 Cb 0.06 -0.74 0.07 0.00 0.03 0.00 0.00 46.19 45.61 1swg s LEU 109 CO -0.02 -0.12 0.09 -0.22 0.23 0.00 0.00 176.35 176.31 1swg s LEU 110 N 1.63 4.42 -0.21 1.79 2.96 0.55 -1.01 118.68 128.82 1swg s LEU 110 Ca 0.02 -1.46 -0.09 0.00 -0.22 0.00 0.00 54.13 52.38 1swg s LEU 110 Cb -0.13 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1swg s LEU 110 CO -0.06 -0.36 0.10 -0.89 -1.32 0.00 0.00 176.35 173.82 1swg s THR 111 N 1.26 5.02 0.02 3.68 2.01 -0.39 -0.74 115.64 126.50 1swg s THR 111 Ca -0.00 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1swg s THR 111 Cb -0.21 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1swg s THR 111 CO -0.01 0.41 0.18 -0.44 -0.69 0.00 0.00 174.62 174.07 1swg s SER 112 N 0.67 6.27 0.18 3.53 0.01 0.58 -1.58 113.70 123.36 1swg s SER 112 Ca 0.05 0.29 -0.30 0.00 1.31 0.00 0.00 55.95 57.30 1swg s SER 112 Cb -0.13 -1.93 -0.09 0.00 0.21 0.00 0.00 66.02 64.08 1swg s SER 112 CO 0.01 0.23 1.37 -0.83 0.41 0.00 0.00 173.24 174.44 1swg s GLY 113 N -2.12 2.24 0.05 3.44 0.00 0.00 -4.81 107.32 106.13 1swg s GLY 113 Ca 0.29 1.17 -0.01 0.00 0.00 0.00 0.00 44.72 46.17 1swg s GLY 113 CO 0.21 2.22 -0.02 -0.51 0.00 0.00 0.00 173.10 175.01 1swg s THR 114 N 0.42 0.21 0.95 0.90 -4.23 -1.26 -4.99 115.64 107.65 1swg s THR 114 Ca 0.60 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 59.25 1swg s THR 114 Cb -0.38 -1.46 0.16 0.00 1.34 0.00 0.00 72.50 72.16 1swg s THR 114 CO 0.37 -0.96 1.09 0.42 -0.54 0.00 0.00 174.62 174.99 1swg s THR 115 N -3.82 2.34 0.30 3.99 -4.23 -1.26 -4.82 115.64 108.13 1swg s THR 115 Ca 0.06 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1swg s THR 115 Cb 0.07 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 71.54 1swg s THR 115 CO -0.10 -0.14 1.92 -0.33 -0.54 0.00 0.00 174.62 175.43 1swg h GLU 116 N -1.75 0.98 0.00 3.99 4.39 -2.02 -1.71 114.58 118.46 1swg h GLU 116 Ca -0.52 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.05 1swg h GLU 116 Cb 1.31 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1swg h GLU 116 CO 0.56 0.72 -0.09 0.00 -1.16 0.00 0.00 179.01 179.04 1swg h ALA 117 N 1.44 1.41 -0.34 3.43 0.00 -2.07 -2.18 119.26 120.95 1swg h ALA 117 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1swg h ALA 117 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1swg h ALA 117 CO -0.04 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1swg n ASN 118 N -3.79 3.14 0.29 0.00 3.02 -0.72 -4.57 115.26 112.64 1swg n ASN 118 Ca -0.02 -1.91 0.17 0.00 -0.03 0.00 0.00 54.58 52.79 1swg n ASN 118 Cb 0.19 -0.22 0.85 0.00 -0.61 0.00 0.00 39.78 40.00 1swg n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swg h ALA 119 N 3.61 1.10 0.00 5.41 0.00 -0.69 -2.08 119.26 126.62 1swg h ALA 119 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1swg h ALA 119 Cb 0.85 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1swg h ALA 119 CO 0.00 0.06 -0.06 0.11 0.00 0.00 0.00 179.25 179.36 1swg h TRP 120 N 0.00 0.00 -0.35 0.00 5.08 -1.80 -2.60 115.95 116.27 1swg h TRP 120 Ca -0.00 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.79 1swg h TRP 120 Cb 0.31 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.36 1swg h TRP 120 CO 0.00 0.06 -0.08 0.36 -1.28 0.00 0.00 178.44 177.50 1swg n LYS 121 N -4.24 1.86 0.01 0.12 2.85 -0.78 -4.69 118.16 113.30 1swg n LYS 121 Ca -0.03 -3.18 0.13 0.00 -1.05 0.00 0.00 58.31 54.18 1swg n LYS 121 Cb 0.14 -1.82 0.51 0.00 -0.65 0.00 0.00 35.03 33.21 1swg n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swg n SER 122 N -1.11 0.20 -4.04 -5.58 3.41 -0.98 -4.83 113.62 100.69 1swg n SER 122 Ca 0.33 0.35 -0.29 0.00 -0.26 0.00 0.00 58.87 59.00 1swg n SER 122 Cb 1.04 -0.36 -0.17 0.00 -0.26 0.00 0.00 64.21 64.46 1swg n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swg s THR 123 N -3.02 1.48 0.14 6.66 2.01 -1.26 -0.31 115.64 121.35 1swg s THR 123 Ca 0.13 -0.62 -0.08 0.00 0.31 0.00 0.00 61.69 61.43 1swg s THR 123 Cb 0.18 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 71.26 1swg s THR 123 CO 0.58 0.44 0.43 -0.76 -0.69 0.00 0.00 174.62 174.62 1swg s LEU 124 N 1.12 4.27 0.08 4.42 1.43 0.08 -4.91 118.68 125.18 1swg s LEU 124 Ca -0.04 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 1swg s LEU 124 Cb -0.14 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 1swg s LEU 124 CO -0.04 0.07 -0.23 0.54 0.23 0.00 0.00 176.35 176.92 1swg s VAL 125 N -1.60 1.84 0.00 -1.59 0.11 -1.26 -0.33 120.40 117.57 1swg s VAL 125 Ca 0.40 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 1swg s VAL 125 Cb -0.13 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 1swg s VAL 125 CO 0.21 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 1swg n GLY 126 N 1.43 1.67 3.08 6.54 0.00 -0.67 -4.98 105.19 112.25 1swg n GLY 126 Ca -0.18 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1swg n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swg s HIS 127 N -6.41 -0.32 -0.02 1.61 -3.43 -1.26 0.09 115.29 105.55 1swg s HIS 127 Ca 0.00 0.77 0.06 0.00 -0.80 0.00 0.00 55.06 55.09 1swg s HIS 127 Cb 0.00 0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1swg s HIS 127 CO 0.00 -0.21 -0.18 -0.51 -2.00 0.00 0.00 174.74 171.84 1swg s ASP 128 N 0.96 2.16 -0.16 7.38 1.01 -0.89 -4.98 116.67 122.14 1swg s ASP 128 Ca -0.07 -0.34 -0.02 0.00 0.71 0.00 0.00 52.55 52.84 1swg s ASP 128 Cb -0.08 -0.28 -0.01 0.00 1.01 0.00 0.00 42.92 43.55 1swg s ASP 128 CO -0.06 0.22 -0.09 -0.89 0.21 0.00 0.00 175.17 174.56 1swg s THR 129 N -0.38 3.30 -0.07 -1.27 2.01 -1.26 -1.07 115.64 116.91 1swg s THR 129 Ca 0.06 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1swg s THR 129 Cb -0.08 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1swg s THR 129 CO -0.00 0.49 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.99 1swg s PHE 130 N 0.73 2.96 -0.00 4.92 0.40 0.19 -3.12 117.98 124.05 1swg s PHE 130 Ca -0.04 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1swg s PHE 130 Cb -0.15 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 1swg s PHE 130 CO 0.02 0.33 -0.20 0.99 0.70 0.00 0.00 175.22 177.06 1swg s THR 131 N -0.77 2.62 -0.09 0.64 2.01 0.26 -1.86 115.64 118.44 1swg s THR 131 Ca 0.12 -1.05 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 1swg s THR 131 Cb -0.11 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1swg s THR 131 CO 0.02 0.48 0.55 -0.75 -0.69 0.00 0.00 174.62 174.22 1swg s LYS 132 N -0.99 4.36 -0.00 4.92 2.20 -1.26 -0.99 119.74 127.97 1swg s LYS 132 Ca 0.12 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.35 1swg s LYS 132 Cb -0.10 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1swg s LYS 132 CO 0.02 0.16 0.06 0.28 -0.36 0.00 0.00 175.35 175.51 1swg n VAL 133 N 3.58 0.00 -3.48 4.02 0.31 0.16 -4.21 118.33 118.72 1swg n VAL 133 Ca -0.06 -0.13 -0.26 0.00 -0.01 0.00 0.00 64.34 63.89 1swg n VAL 133 Cb 0.51 0.55 -0.13 0.00 -0.91 0.00 0.00 33.84 33.87 1swg n VAL 133 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1swg s LYS 134 N -1.98 0.33 0.23 5.55 -0.14 -0.99 -3.69 119.74 119.05 1swg s LYS 134 Ca -0.01 -0.65 -0.19 0.00 -1.36 0.00 0.00 55.97 53.77 1swg s LYS 134 Cb 0.02 -1.05 -0.08 0.00 -1.68 0.00 0.00 37.83 35.04 1swg s LYS 134 CO 0.10 -1.08 0.73 -1.25 -0.76 0.00 0.00 175.35 173.09 1swg s PRO 135 N 1.88 4.23 0.18 -1.68 0.04 -1.26 -1.48 135.00 136.91 1swg s PRO 135 Ca 0.12 0.85 0.16 0.00 0.04 0.00 0.00 61.00 62.17 1swg s PRO 135 Cb -0.17 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 1swg s PRO 135 CO -0.25 0.37 1.15 0.66 0.04 0.00 0.00 177.00 178.97 1swg h SER 136 N 3.31 0.00 -3.36 6.66 4.64 -1.73 -3.46 113.55 119.62 1swg h SER 136 Ca -0.48 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.27 1swg h SER 136 Cb 1.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 1swg h SER 136 CO 0.65 0.49 0.01 0.00 -0.87 0.00 0.00 176.83 177.12 1swg s ALA 137 N -2.98 3.41 -0.09 5.18 0.00 -1.26 -4.99 121.76 121.04 1swg s ALA 137 Ca 0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1swg s ALA 137 Cb 0.08 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.40 1swg s ALA 137 CO 0.78 -0.13 0.48 0.00 0.00 0.00 0.00 175.76 176.90 1swg s ALA 138 N 0.88 -1.23 0.22 0.00 0.00 -1.26 -5.01 121.76 115.37 1swg s ALA 138 Ca 0.32 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.34 1swg s ALA 138 Cb -0.16 -0.26 0.18 0.00 0.00 0.00 0.00 23.12 22.87 1swg s ALA 138 CO 0.14 -0.28 1.50 0.66 0.00 0.00 0.00 175.76 177.78 1swg h SER 139 N 4.14 0.14 0.00 0.00 4.64 -2.01 -3.48 113.55 116.98 1swg h SER 139 Ca -0.28 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1swg h SER 139 Cb 1.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1swg h SER 139 CO 0.32 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 177.70 1swg n GLY 140 N 0.52 0.45 3.78 -0.77 0.00 -1.26 -5.06 105.19 102.85 1swg n GLY 140 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1swg n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1swg s GLY 141 N -1.64 1.85 0.00 -0.02 0.00 -1.26 -3.76 107.32 102.48 1swg s GLY 141 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1swg s GLY 141 CO 0.00 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.36 1swg n GLY 142 N -1.17 0.34 7.00 0.20 0.00 -1.26 -4.76 105.19 105.54 1swg n GLY 142 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1swg n GLY 142 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1swg n SER 143 N 0.00 -0.39 0.01 1.61 2.88 -1.25 -2.46 113.62 114.02 1swg n SER 143 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1swg n SER 143 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 1swg n SER 143 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1swg h ALA 13 N -0.95 1.04 -0.50 -1.46 0.00 -1.92 -1.31 119.26 114.15 1swg h ALA 13 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1swg h ALA 13 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1swg h ALA 13 CO 0.00 0.58 0.32 0.93 0.00 0.00 0.00 179.25 181.08 1swg h GLU 14 N 0.44 0.67 -0.10 0.00 3.07 -1.82 0.15 114.58 116.98 1swg h GLU 14 Ca 0.06 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 1swg h GLU 14 Cb 0.73 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1swg h GLU 14 CO 0.06 0.46 -0.71 0.00 -1.40 0.00 0.00 179.01 177.42 1swg h ALA 15 N 1.17 0.58 -0.45 3.43 0.00 -1.21 -1.66 119.26 121.12 1swg h ALA 15 Ca 0.18 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1swg h ALA 15 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1swg h ALA 15 CO -0.04 0.74 -0.06 0.78 0.00 0.00 0.00 179.25 180.67 1swg h GLY 16 N 1.16 0.90 0.69 0.00 0.00 -0.86 -3.25 103.07 101.71 1swg h GLY 16 Ca -0.03 -0.71 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 1swg h GLY 16 CO 0.13 0.65 -0.61 -2.22 0.00 0.00 0.00 176.54 174.48 1swg h ILE 17 N 0.67 1.48 -2.59 2.60 2.04 -0.76 -3.46 117.51 117.48 1swg h ILE 17 Ca 0.12 -2.22 -0.53 0.00 1.00 0.00 0.00 64.86 63.22 1swg h ILE 17 Cb 0.58 2.84 0.03 0.00 -0.74 0.00 0.00 36.82 39.53 1swg h ILE 17 CO 0.03 0.63 1.07 -0.89 0.00 0.00 0.00 178.15 179.00 1swg s THR 18 N -2.91 2.86 -5.00 -0.27 2.01 -0.63 -4.78 115.64 106.93 1swg s THR 18 Ca -0.14 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1swg s THR 18 Cb 0.02 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1swg s THR 18 CO 0.81 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 1swg n GLY 19 N 4.15 0.82 3.52 4.40 0.00 -0.35 -4.77 105.19 112.96 1swg n GLY 19 Ca 0.17 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1swg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swg s THR 20 N -2.77 4.00 0.15 2.61 2.01 -0.55 -1.70 115.64 119.40 1swg s THR 20 Ca 0.00 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 61.76 1swg s THR 20 Cb 0.00 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1swg s THR 20 CO 0.00 0.49 -0.17 0.26 -0.69 0.00 0.00 174.62 174.51 1swg s TRP 21 N 0.32 1.72 0.03 4.92 0.52 0.28 -0.67 118.94 126.06 1swg s TRP 21 Ca -0.03 -0.49 0.04 0.00 0.02 0.00 0.00 56.10 55.64 1swg s TRP 21 Cb -0.14 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.29 1swg s TRP 21 CO 0.03 0.28 -0.12 0.71 0.02 0.00 0.00 176.95 177.87 1swg s TYR 22 N -2.06 1.00 0.36 -1.98 1.51 -0.16 -1.01 117.35 115.01 1swg s TYR 22 Ca 0.14 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 1swg s TYR 22 Cb -0.06 -0.60 0.05 0.00 -0.11 0.00 0.00 41.96 41.25 1swg s TYR 22 CO 0.06 0.00 0.43 0.27 -1.11 0.00 0.00 175.55 175.21 1swg n ASN 23 N 1.95 1.55 0.06 2.29 0.23 -0.94 -0.58 115.26 119.83 1swg n ASN 23 Ca -0.18 -2.03 0.08 0.00 -0.53 0.00 0.00 54.58 51.92 1swg n ASN 23 Cb 0.55 -0.20 0.36 0.00 -2.08 0.00 0.00 39.78 38.42 1swg n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swg n GLN 24 N -1.66 0.08 0.01 -3.83 0.00 -1.18 -0.69 117.38 110.11 1swg n GLN 24 Ca 0.07 0.37 0.11 0.00 0.00 0.00 0.00 57.00 57.56 1swg n GLN 24 Cb 0.38 -1.67 0.13 0.00 0.00 0.00 0.00 30.24 29.08 1swg n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swg n LEU 25 N -1.83 0.63 0.00 2.61 4.77 -1.26 -4.95 117.00 116.97 1swg n LEU 25 Ca 0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1swg n LEU 25 Cb 0.16 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1swg n LEU 25 CO 0.14 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1swg n GLY 26 N 1.47 0.78 3.77 -0.72 0.00 0.14 -4.69 105.19 105.93 1swg n GLY 26 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1swg n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 27 N -2.01 5.04 -0.19 1.61 0.01 -1.26 -4.53 113.70 112.37 1swg s SER 27 Ca 0.00 1.93 -0.02 0.00 1.31 0.00 0.00 55.95 59.17 1swg s SER 27 Cb 0.00 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 1swg s SER 27 CO 0.00 -1.67 -0.09 -0.89 0.41 0.00 0.00 173.24 170.99 1swg s THR 28 N -2.50 3.03 -0.32 1.44 2.01 0.11 -2.20 115.64 117.20 1swg s THR 28 Ca 0.65 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1swg s THR 28 Cb -0.19 -2.34 0.07 0.00 0.01 0.00 0.00 72.50 70.05 1swg s THR 28 CO 0.45 0.47 0.04 0.12 -0.69 0.00 0.00 174.62 175.01 1swg s PHE 29 N 1.21 3.37 -0.32 4.92 5.36 -0.18 -0.67 117.98 131.67 1swg s PHE 29 Ca 0.02 -2.07 -0.06 0.00 -0.96 0.00 0.00 56.93 53.86 1swg s PHE 29 Cb -0.14 -2.39 0.03 0.00 -0.34 0.00 0.00 43.02 40.18 1swg s PHE 29 CO -0.04 -0.85 0.08 0.42 -1.46 0.00 0.00 175.22 173.37 1swg s ILE 30 N 1.20 3.70 0.03 3.12 1.01 -0.20 -0.56 121.20 129.51 1swg s ILE 30 Ca -0.01 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1swg s ILE 30 Cb -0.20 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1swg s ILE 30 CO -0.02 -0.08 -0.08 0.54 0.00 0.00 0.00 174.94 175.30 1swg s VAL 31 N 1.41 0.57 -0.12 2.92 0.11 -0.69 -0.45 120.40 124.15 1swg s VAL 31 Ca -0.01 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 1swg s VAL 31 Cb -0.19 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1swg s VAL 31 CO 0.02 -0.22 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.53 1swg s THR 32 N -1.02 2.90 -0.21 5.04 2.01 0.14 -1.21 115.64 123.28 1swg s THR 32 Ca -0.06 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 1swg s THR 32 Cb -0.08 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1swg s THR 32 CO 0.00 0.53 -0.04 0.00 -0.69 0.00 0.00 174.62 174.42 1swg s ALA 33 N 0.31 2.83 0.00 7.40 0.00 -1.26 -1.77 121.76 129.27 1swg s ALA 33 Ca -0.11 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1swg s ALA 33 Cb -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1swg s ALA 33 CO 0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1swg n GLY 34 N 4.56 1.18 3.88 0.00 0.00 -0.38 -4.68 105.19 109.75 1swg n GLY 34 Ca -0.18 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1swg n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg n ALA 35 N -3.00 -1.32 -3.41 4.61 0.00 -1.26 -0.70 120.51 115.43 1swg n ALA 35 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 1swg n ALA 35 Cb 0.00 -4.47 0.08 0.00 0.00 0.00 0.00 19.45 15.06 1swg n ALA 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1swg n ASP 36 N -2.86 -3.44 0.00 0.00 2.03 -1.26 -4.17 116.55 106.84 1swg n ASP 36 Ca 0.02 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1swg n ASP 36 Cb 0.54 -4.82 0.00 0.00 -0.72 0.00 0.00 41.12 36.12 1swg n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swg n GLY 37 N -1.40 0.64 3.83 0.27 0.00 -1.12 -4.81 105.19 102.60 1swg n GLY 37 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1swg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg s ALA 38 N -1.38 3.67 -0.13 4.61 0.00 0.13 -1.34 121.76 127.32 1swg s ALA 38 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1swg s ALA 38 Cb 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1swg s ALA 38 CO 0.00 0.45 -0.23 -0.51 0.00 0.00 0.00 175.76 175.47 1swg s LEU 39 N -1.02 2.11 0.07 0.00 1.02 -0.54 -1.25 118.68 119.08 1swg s LEU 39 Ca 0.25 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.83 1swg s LEU 39 Cb -0.17 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 1swg s LEU 39 CO 0.14 0.11 -0.06 0.42 0.02 0.00 0.00 176.35 176.98 1swg s THR 40 N 0.63 0.54 -5.00 5.49 -4.23 -0.73 -1.13 115.64 111.21 1swg s THR 40 Ca -0.12 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1swg s THR 40 Cb -0.16 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1swg s THR 40 CO 0.02 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 1swg n GLY 41 N 0.45 -0.36 3.08 3.99 0.00 -1.15 0.24 105.19 111.45 1swg n GLY 41 Ca -0.16 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1swg n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swg s THR 42 N -3.38 0.67 -0.02 2.61 -4.23 0.40 -1.46 115.64 110.23 1swg s THR 42 Ca 0.00 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1swg s THR 42 Cb 0.00 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 73.13 1swg s THR 42 CO 0.00 -0.28 -0.21 -0.47 -0.54 0.00 0.00 174.62 173.12 1swg s TYR 43 N -1.22 1.87 -0.19 3.99 6.14 0.72 -1.03 117.35 127.63 1swg s TYR 43 Ca -0.07 -0.38 -0.02 0.00 0.64 0.00 0.00 57.07 57.24 1swg s TYR 43 Cb -0.09 -1.21 0.06 0.00 0.42 0.00 0.00 41.96 41.14 1swg s TYR 43 CO 0.01 -0.05 0.02 -2.00 0.64 0.00 0.00 175.55 174.17 1swg s GLU 44 N -0.43 0.77 0.40 4.97 2.12 0.16 -0.52 118.70 126.17 1swg s GLU 44 Ca 0.06 -0.47 -0.23 0.00 0.36 0.00 0.00 54.97 54.69 1swg s GLU 44 Cb -0.09 -2.14 -0.10 0.00 0.26 0.00 0.00 34.13 32.07 1swg s GLU 44 CO -0.00 -0.62 0.97 0.45 -0.54 0.00 0.00 175.26 175.52 1swg s SER 45 N 1.81 6.97 0.00 -1.70 0.15 -1.26 -0.71 113.70 118.95 1swg s SER 45 Ca -0.01 1.82 0.31 0.00 0.70 0.00 0.00 55.95 58.77 1swg s SER 45 Cb -0.17 -2.56 1.75 0.00 -1.71 0.00 0.00 66.02 63.32 1swg s SER 45 CO -0.08 -0.34 2.14 0.00 1.20 0.00 0.00 173.24 176.16