#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd3 n ASP 49 N 0.00 1.51 -0.11 4.39 8.00 -1.26 -3.99 116.55 125.09 2kd3 n ASP 49 Ca 0.00 -2.10 -0.11 0.00 0.71 0.00 0.00 54.79 53.29 2kd3 n ASP 49 Cb 0.00 -0.30 0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2kd3 h VAL 50 N 1.07 1.27 -0.00 2.53 2.07 -1.90 -2.90 116.25 118.40 2kd3 h VAL 50 Ca 0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2kd3 h VAL 50 Cb 0.51 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2kd3 h VAL 50 CO 0.05 0.49 -0.03 -1.20 0.02 0.00 0.00 177.57 176.91 2kd3 n SER 51 N -4.08 0.53 0.03 0.57 7.64 -1.26 -3.74 113.62 113.32 2kd3 n SER 51 Ca -0.01 -0.99 0.01 0.00 1.01 0.00 0.00 58.87 58.89 2kd3 n SER 51 Cb 0.49 -0.03 0.35 0.00 -1.01 0.00 0.00 64.21 64.01 2kd3 n SER 51 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kd3 h GLU 52 N 0.78 0.44 0.00 1.43 5.08 -1.76 -3.40 114.58 117.15 2kd3 h GLU 52 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kd3 h GLU 52 Cb 0.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kd3 h GLU 52 CO 0.00 0.46 0.00 2.48 -1.00 0.00 0.00 179.01 180.95 2kd3 n TYR 53 N -4.32 0.00 -2.68 4.33 0.18 -1.25 -5.15 117.16 108.27 2kd3 n TYR 53 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 2kd3 n TYR 53 Cb 0.22 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2kd3 n SER 54 N -1.21 0.00 -4.24 9.48 2.88 -1.25 -4.94 113.62 114.34 2kd3 n SER 54 Ca 0.00 -0.04 -0.30 0.00 -1.33 0.00 0.00 58.87 57.20 2kd3 n SER 54 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2kd3 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kd3 n ARG 56 N -4.56 -0.58 -1.03 0.00 0.00 -1.26 -4.57 116.66 104.66 2kd3 n ARG 56 Ca -0.32 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.11 2kd3 n ARG 56 Cb 0.69 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 33.08 2kd3 n ARG 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kd3 n GLU 57 N -1.24 1.03 -3.67 2.89 1.02 -1.26 -4.85 120.64 114.55 2kd3 n GLU 57 Ca 0.00 -1.63 -0.36 0.00 -0.02 0.00 0.00 57.16 55.14 2kd3 n GLU 57 Cb 0.00 -2.88 -0.06 0.00 -0.02 0.00 0.00 31.44 28.48 2kd3 n GLU 57 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kd3 s LEU 58 N 1.96 4.40 -0.02 -4.62 0.20 -1.26 -5.09 118.68 114.25 2kd3 s LEU 58 Ca 0.62 0.71 0.07 0.00 0.69 0.00 0.00 54.13 56.22 2kd3 s LEU 58 Cb 0.13 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 43.31 2kd3 s LEU 58 CO 0.19 0.30 -0.23 -1.00 -0.29 0.00 0.00 176.35 175.32 2kd3 s HIS 59 N -1.19 2.03 0.29 5.38 3.76 -1.25 -3.73 115.29 120.59 2kd3 s HIS 59 Ca 0.24 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.83 2kd3 s HIS 59 Cb -0.14 -1.31 -0.06 0.00 1.11 0.00 0.00 32.58 32.18 2kd3 s HIS 59 CO 0.13 -0.03 -0.03 0.71 -0.85 0.00 0.00 174.74 174.67 2kd3 s TYR 60 N -0.53 1.97 -0.69 1.40 1.51 0.55 -4.89 117.35 116.66 2kd3 s TYR 60 Ca 0.09 -0.77 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 2kd3 s TYR 60 Cb -0.09 -1.18 0.17 0.00 -0.11 0.00 0.00 41.96 40.75 2kd3 s TYR 60 CO -0.01 0.21 0.50 0.25 -1.11 0.00 0.00 175.55 175.40 2kd3 n THR 61 N -0.62 1.55 -4.39 -0.71 -2.24 -1.26 -2.56 114.28 104.05 2kd3 n THR 61 Ca -0.05 -4.82 -0.29 0.00 -2.27 0.00 0.00 64.05 56.62 2kd3 n THR 61 Cb 0.64 -2.16 -0.17 0.00 -2.10 0.00 0.00 70.33 66.55 2kd3 n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2kd3 s ARG 62 N -1.45 2.29 0.00 -0.78 0.52 -1.26 -5.00 118.95 113.27 2kd3 s ARG 62 Ca 0.26 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2kd3 s ARG 62 Cb -0.03 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.47 2kd3 s ARG 62 CO -0.17 -0.09 0.00 1.19 0.02 0.00 0.00 175.30 176.25 2kd3 n PHE 63 N 4.31 0.00 -3.64 -0.53 3.72 -1.26 -4.81 117.46 115.24 2kd3 n PHE 63 Ca -0.19 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.16 2kd3 n PHE 63 Cb 0.51 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 2kd3 n PHE 63 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2kd3 s LEU 64 N -2.75 -0.38 -0.04 4.37 2.34 -1.26 -4.80 118.68 116.16 2kd3 s LEU 64 Ca 0.00 0.68 0.02 0.00 0.06 0.00 0.00 54.13 54.89 2kd3 s LEU 64 Cb 0.00 1.67 0.01 0.00 -0.56 0.00 0.00 46.19 47.31 2kd3 s LEU 64 CO 0.00 -0.11 -0.07 0.42 -1.06 0.00 0.00 176.35 175.53 2kd3 s THR 65 N 0.54 0.69 0.00 5.48 -4.23 -1.26 -0.37 115.64 116.50 2kd3 s THR 65 Ca -0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2kd3 s THR 65 Cb -0.04 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.13 2kd3 s THR 65 CO -0.10 0.24 0.00 0.47 -0.54 0.00 0.00 174.62 174.69 2kd3 n ASP 66 N 3.73 0.00 -2.12 3.99 8.00 -1.07 -5.03 116.55 124.04 2kd3 n ASP 66 Ca -0.22 -0.37 -0.21 0.00 0.71 0.00 0.00 54.79 54.70 2kd3 n ASP 66 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kd3 n GLY 67 N 0.00 -1.31 0.00 0.44 0.00 -1.26 -2.71 105.19 100.35 2kd3 n GLY 67 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kd3 n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kd3 n PRO 68 N 0.65 0.00 -3.59 1.61 -0.02 -1.26 -4.55 135.00 127.83 2kd3 n PRO 68 Ca 0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.46 2kd3 n PRO 68 Cb 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.65 2kd3 n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kd3 s ARG 70 N -3.46 0.76 0.45 0.00 3.52 -0.24 -2.60 118.95 117.38 2kd3 s ARG 70 Ca 0.06 0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.95 2kd3 s ARG 70 Cb -0.02 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 2kd3 s ARG 70 CO -0.05 -0.18 0.73 0.45 -0.81 0.00 0.00 175.30 175.44 2kd3 s SER 71 N -0.63 6.20 0.00 -2.12 0.15 0.51 0.79 113.70 118.61 2kd3 s SER 71 Ca -0.07 0.76 0.13 0.00 0.70 0.00 0.00 55.95 57.48 2kd3 s SER 71 Cb -0.03 -2.12 0.22 0.00 -1.71 0.00 0.00 66.02 62.38 2kd3 s SER 71 CO 0.04 -0.55 1.06 0.00 1.20 0.00 0.00 173.24 174.99 2kd3 n ALA 72 N -2.16 2.75 -1.77 5.45 0.00 -1.26 -4.49 120.51 119.03 2kd3 n ALA 72 Ca -0.00 -1.53 -0.38 0.00 0.00 0.00 0.00 53.44 51.52 2kd3 n ALA 72 Cb 0.56 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 2kd3 n ALA 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kd3 s LYS 73 N 0.00 4.62 -0.12 0.00 2.20 -1.26 -4.95 119.74 120.23 2kd3 s LYS 73 Ca 0.18 1.41 -0.37 0.00 -0.36 0.00 0.00 55.97 56.82 2kd3 s LYS 73 Cb 0.20 -2.92 -0.14 0.00 -1.51 0.00 0.00 37.83 33.46 2kd3 s LYS 73 CO -0.09 0.30 1.73 -2.30 -0.36 0.00 0.00 175.35 174.63 2kd3 n PRO 74 N 0.77 1.62 -4.07 4.03 -0.02 -1.26 -4.77 135.00 131.29 2kd3 n PRO 74 Ca 0.01 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2kd3 n PRO 74 Cb 0.49 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 2kd3 n PRO 74 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kd3 s VAL 75 N 3.11 0.41 -0.12 -1.45 -7.23 -1.26 -5.10 120.40 108.76 2kd3 s VAL 75 Ca 0.93 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 60.47 2kd3 s VAL 75 Cb -0.88 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 35.63 2kd3 s VAL 75 CO 0.56 -0.18 -0.22 -0.89 -0.31 0.00 0.00 175.10 174.06 2kd3 s THR 76 N -0.81 2.20 0.01 5.32 2.01 -1.26 -4.37 115.64 118.74 2kd3 s THR 76 Ca -0.05 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 2kd3 s THR 76 Cb -0.06 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2kd3 s THR 76 CO 0.00 0.55 0.09 -1.83 -0.69 0.00 0.00 174.62 172.74 2kd3 s GLU 77 N 0.48 0.44 -0.10 4.92 -1.05 -1.06 -4.87 118.70 117.47 2kd3 s GLU 77 Ca -0.14 -0.49 -0.06 0.00 -0.15 0.00 0.00 54.97 54.13 2kd3 s GLU 77 Cb -0.17 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.66 2kd3 s GLU 77 CO 0.05 -0.10 0.13 -0.51 0.95 0.00 0.00 175.26 175.78 2kd3 s LEU 78 N -1.46 4.28 -0.96 1.83 1.02 -1.21 0.21 118.68 122.38 2kd3 s LEU 78 Ca -0.14 0.41 -0.13 0.00 0.02 0.00 0.00 54.13 54.28 2kd3 s LEU 78 Cb -0.08 -2.12 0.22 0.00 0.02 0.00 0.00 46.19 44.23 2kd3 s LEU 78 CO 0.00 0.38 0.97 0.68 0.02 0.00 0.00 176.35 178.41 2kd3 s VAL 79 N -1.06 5.59 -0.99 -1.59 -7.23 -1.24 -4.72 120.40 109.15 2kd3 s VAL 79 Ca 0.17 -2.67 -0.23 0.00 -1.81 0.00 0.00 61.98 57.44 2kd3 s VAL 79 Cb -0.12 -4.58 0.06 0.00 0.56 0.00 0.00 36.38 32.30 2kd3 s VAL 79 CO 0.06 -1.18 1.39 0.00 -0.31 0.00 0.00 175.10 175.06 2kd3 s SER 81 N 4.73 0.17 0.00 0.00 1.04 -1.26 -4.33 113.70 114.04 2kd3 s SER 81 Ca 0.43 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2kd3 s SER 81 Cb -0.01 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.19 2kd3 s SER 81 CO -0.09 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2kd3 n GLY 82 N 5.37 3.31 2.96 7.32 0.00 -1.26 -4.17 105.19 118.72 2kd3 n GLY 82 Ca -0.06 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 2kd3 n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kd3 s GLN 83 N 4.24 0.54 0.00 1.61 -0.21 -1.26 -3.45 119.66 121.12 2kd3 s GLN 83 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.18 2kd3 s GLN 83 Cb 0.00 -0.53 0.00 0.00 1.00 0.00 0.00 33.01 33.48 2kd3 s GLN 83 CO 0.00 0.10 0.67 0.00 -2.12 0.00 0.00 175.29 173.95 2kd3 s GLY 85 N -0.39 1.42 0.55 0.00 0.00 -1.26 -4.21 107.32 103.42 2kd3 s GLY 85 Ca 0.00 -1.68 -0.22 0.00 0.00 0.00 0.00 44.72 42.83 2kd3 s GLY 85 CO 0.00 -1.70 1.36 -1.55 0.00 0.00 0.00 173.10 171.21 2kd3 n PRO 86 N -0.37 1.69 -0.63 2.90 -0.04 -1.26 -4.91 135.00 132.38 2kd3 n PRO 86 Ca -0.07 0.62 -0.01 0.00 -0.04 0.00 0.00 63.50 63.99 2kd3 n PRO 86 Cb 0.62 -2.58 0.22 0.00 -0.04 0.00 0.00 33.50 31.71 2kd3 n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kd3 n ALA 87 N -1.06 3.71 -2.18 0.55 0.00 -1.26 -4.68 120.51 115.60 2kd3 n ALA 87 Ca 0.11 -1.40 -0.42 0.00 0.00 0.00 0.00 53.44 51.72 2kd3 n ALA 87 Cb 0.45 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2kd3 n ALA 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kd3 s ARG 88 N -2.11 4.34 -0.13 0.00 6.06 -1.26 -4.85 118.95 121.00 2kd3 s ARG 88 Ca 0.35 2.04 -0.12 0.00 -2.50 0.00 0.00 55.73 55.50 2kd3 s ARG 88 Cb 0.28 -3.25 -0.05 0.00 0.06 0.00 0.00 34.95 31.99 2kd3 s ARG 88 CO 0.09 -0.40 0.25 -0.51 -2.50 0.00 0.00 175.30 172.23 2kd3 s LEU 89 N 0.97 4.32 -0.49 -0.88 2.01 -1.26 -4.48 118.68 118.87 2kd3 s LEU 89 Ca 0.63 0.54 -0.06 0.00 0.01 0.00 0.00 54.13 55.25 2kd3 s LEU 89 Cb -0.36 -2.29 0.13 0.00 0.01 0.00 0.00 46.19 43.67 2kd3 s LEU 89 CO 0.31 0.23 0.33 -0.76 1.01 0.00 0.00 176.35 177.47 2kd3 s LEU 90 N -0.21 5.54 -0.23 1.79 1.02 -1.26 -5.06 118.68 120.27 2kd3 s LEU 90 Ca 0.16 -2.11 -0.29 0.00 0.02 0.00 0.00 54.13 51.91 2kd3 s LEU 90 Cb -0.13 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 2kd3 s LEU 90 CO 0.05 -0.60 1.55 -2.16 0.02 0.00 0.00 176.35 175.21 2kd3 s PRO 91 N 1.05 3.85 -0.04 1.29 0.04 -1.26 -4.84 135.00 135.09 2kd3 s PRO 91 Ca 0.09 1.61 0.25 0.00 0.04 0.00 0.00 61.00 62.99 2kd3 s PRO 91 Cb -0.24 -3.99 0.44 0.00 0.04 0.00 0.00 34.50 30.75 2kd3 s PRO 91 CO -0.03 -1.22 1.16 0.09 0.04 0.00 0.00 177.00 177.05 2kd3 n ASN 92 N 8.17 1.09 0.00 6.66 3.02 -1.26 -4.87 115.26 128.06 2kd3 n ASN 92 Ca 0.18 -2.02 0.04 0.00 -0.03 0.00 0.00 54.58 52.74 2kd3 n ASN 92 Cb 0.45 -0.33 0.23 0.00 -0.61 0.00 0.00 39.78 39.53 2kd3 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kd3 n ALA 93 N 0.34 1.72 -2.32 5.41 0.00 -1.26 -4.79 120.51 119.60 2kd3 n ALA 93 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2kd3 n ALA 93 Cb 1.10 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.41 2kd3 n ALA 93 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2kd3 n ILE 94 N -1.10 0.00 0.00 0.00 5.41 -1.26 0.24 119.36 122.65 2kd3 n ILE 94 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2kd3 n ILE 94 Cb 0.04 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 2kd3 n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kd3 n GLY 95 N -0.48 3.11 3.19 7.39 0.00 -1.26 -5.03 105.19 112.10 2kd3 n GLY 95 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 2kd3 n GLY 95 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kd3 s ARG 96 N 0.00 2.55 -0.26 1.61 3.52 0.66 -5.11 118.95 121.93 2kd3 s ARG 96 Ca 0.00 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 54.82 2kd3 s ARG 96 Cb 0.00 -2.03 0.04 0.00 -1.56 0.00 0.00 34.95 31.40 2kd3 s ARG 96 CO 0.00 0.21 -0.06 0.08 -0.81 0.00 0.00 175.30 174.72 2kd3 s VAL 97 N 0.22 2.70 0.00 7.11 1.01 -1.26 -4.58 120.40 125.61 2kd3 s VAL 97 Ca -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2kd3 s VAL 97 Cb -0.16 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2kd3 s VAL 97 CO 0.06 0.09 0.00 2.29 0.00 0.00 0.00 175.10 177.54 2kd3 n LYS 98 N 4.60 0.00 0.00 2.72 2.85 -1.26 -5.01 118.16 122.07 2kd3 n LYS 98 Ca -0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2kd3 n LYS 98 Cb 0.45 -0.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.70 2kd3 n LYS 98 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2kd3 n TRP 99 N -2.08 0.00 -2.77 5.58 4.27 -1.26 -4.88 117.44 116.30 2kd3 n TRP 99 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 2kd3 n TRP 99 Cb 0.00 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.01 2kd3 n TRP 99 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 2kd3 n TRP 100 N -0.30 -2.79 -3.63 -2.67 -0.00 -1.26 -5.14 117.44 101.65 2kd3 n TRP 100 Ca 0.00 -1.30 -0.10 0.00 -0.00 0.00 0.00 57.50 56.10 2kd3 n TRP 100 Cb 0.00 -0.42 -0.07 0.00 -0.00 0.00 0.00 31.31 30.82 2kd3 n TRP 100 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2kd3 s ARG 101 N -3.97 0.58 0.00 -2.67 1.81 -1.26 -4.93 118.95 108.52 2kd3 s ARG 101 Ca 0.42 0.64 0.00 0.00 -1.72 0.00 0.00 55.73 55.08 2kd3 s ARG 101 Cb -0.03 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.76 2kd3 s ARG 101 CO 0.27 -0.08 0.37 -2.30 -0.68 0.00 0.00 175.30 172.89 2kd3 n PRO 102 N 2.19 0.00 -0.01 3.54 -0.02 -1.26 -4.24 135.00 135.20 2kd3 n PRO 102 Ca -0.13 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 2kd3 n PRO 102 Cb 0.56 -1.47 0.63 0.00 -0.02 0.00 0.00 33.50 33.19 2kd3 n PRO 102 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kd3 n ASN 103 N 2.72 0.39 0.00 2.55 3.02 -1.26 -4.98 115.26 117.71 2kd3 n ASN 103 Ca 0.00 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 2kd3 n ASN 103 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2kd3 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kd3 n GLY 104 N 0.93 2.70 3.77 7.41 0.00 -1.26 -5.06 105.19 113.68 2kd3 n GLY 104 Ca 0.17 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 2kd3 n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kd3 s PRO 105 N -4.51 3.69 -0.63 1.61 0.02 -1.26 -4.98 135.00 128.95 2kd3 s PRO 105 Ca 0.00 1.74 -0.24 0.00 0.02 0.00 0.00 61.00 62.52 2kd3 s PRO 105 Cb 0.00 -2.34 0.05 0.00 0.02 0.00 0.00 34.50 32.24 2kd3 s PRO 105 CO 0.00 -0.60 1.02 0.34 -0.33 0.00 0.00 177.00 177.43 2kd3 s ASP 106 N -1.44 6.24 0.09 2.53 2.15 -1.26 -5.01 116.67 119.97 2kd3 s ASP 106 Ca 0.65 -0.64 0.08 0.00 0.43 0.00 0.00 52.55 53.07 2kd3 s ASP 106 Cb -0.28 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 39.86 2kd3 s ASP 106 CO 0.33 -1.43 -0.20 -0.36 -0.17 0.00 0.00 175.17 173.34 2kd3 s PHE 107 N 4.33 1.68 0.13 -5.34 0.08 -1.26 -5.08 117.98 112.52 2kd3 s PHE 107 Ca 0.28 -0.42 -0.24 0.00 0.12 0.00 0.00 56.93 56.67 2kd3 s PHE 107 Cb -0.14 -0.93 0.08 0.00 -0.57 0.00 0.00 43.02 41.47 2kd3 s PHE 107 CO 0.15 0.17 1.11 -0.98 -0.10 0.00 0.00 175.22 175.57 2kd3 s ARG 108 N -1.83 1.06 0.46 0.44 1.70 -1.22 -4.34 118.95 115.21 2kd3 s ARG 108 Ca 0.05 -0.69 -0.23 0.00 -0.47 0.00 0.00 55.73 54.39 2kd3 s ARG 108 Cb -0.10 0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.50 2kd3 s ARG 108 CO 0.04 -0.50 1.17 0.00 -1.08 0.00 0.00 175.30 174.93 2kd3 s ILE 110 N -1.53 3.08 0.25 0.00 -1.09 0.06 -4.62 121.20 117.35 2kd3 s ILE 110 Ca 0.63 -0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 58.15 2kd3 s ILE 110 Cb -0.29 -2.37 -0.10 0.00 -1.58 0.00 0.00 42.46 38.12 2kd3 s ILE 110 CO 0.35 0.46 1.46 -2.16 -1.23 0.00 0.00 174.94 173.82 2kd3 s PRO 111 N 1.27 4.25 -0.02 2.79 0.04 -1.26 -2.57 135.00 139.50 2kd3 s PRO 111 Ca 0.03 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 2kd3 s PRO 111 Cb -0.14 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2kd3 s PRO 111 CO -0.04 -0.44 -0.07 -0.25 0.04 0.00 0.00 177.00 176.24 2kd3 n ASP 112 N 2.33 0.51 -4.35 6.66 8.00 -1.23 -4.92 116.55 123.55 2kd3 n ASP 112 Ca 0.07 0.08 -0.28 0.00 0.71 0.00 0.00 54.79 55.37 2kd3 n ASP 112 Cb 0.40 -0.39 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kd3 s ARG 113 N -1.49 1.47 0.29 -1.24 3.52 -0.92 -5.06 118.95 115.52 2kd3 s ARG 113 Ca -0.06 -1.21 0.11 0.00 -0.13 0.00 0.00 55.73 54.45 2kd3 s ARG 113 Cb 0.01 -1.81 -0.05 0.00 -1.56 0.00 0.00 34.95 31.54 2kd3 s ARG 113 CO 0.08 0.44 -0.17 0.71 -0.81 0.00 0.00 175.30 175.55 2kd3 s TYR 114 N -0.97 2.33 0.07 5.12 1.51 -1.26 -2.43 117.35 121.71 2kd3 s TYR 114 Ca 0.12 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2kd3 s TYR 114 Cb -0.10 -1.06 -0.05 0.00 -0.11 0.00 0.00 41.96 40.64 2kd3 s TYR 114 CO 0.04 0.69 0.31 0.50 -1.11 0.00 0.00 175.55 175.98 2kd3 s ARG 115 N -3.53 3.59 0.06 -0.62 3.52 0.70 -4.68 118.95 117.99 2kd3 s ARG 115 Ca 0.30 -0.11 -0.27 0.00 -0.13 0.00 0.00 55.73 55.53 2kd3 s ARG 115 Cb -0.04 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 2kd3 s ARG 115 CO 0.15 0.58 0.84 0.00 -0.81 0.00 0.00 175.30 176.06 2kd3 s ALA 116 N -1.45 3.31 -0.08 6.12 0.00 -1.26 -0.80 121.76 127.60 2kd3 s ALA 116 Ca 0.33 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 2kd3 s ALA 116 Cb -0.13 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 19.91 2kd3 s ALA 116 CO 0.21 0.01 -0.02 -0.65 0.00 0.00 0.00 175.76 175.31 2kd3 s GLN 117 N 0.04 0.85 -0.39 0.00 -1.52 -0.48 -4.98 119.66 113.18 2kd3 s GLN 117 Ca 0.42 0.01 0.02 0.00 -1.95 0.00 0.00 55.36 53.86 2kd3 s GLN 117 Cb -0.21 -1.12 0.11 0.00 -0.22 0.00 0.00 33.01 31.56 2kd3 s GLN 117 CO 0.25 -0.28 0.12 0.50 -0.25 0.00 0.00 175.29 175.64 2kd3 s ARG 118 N 1.85 1.70 0.03 2.91 3.52 -1.26 -0.72 118.95 126.98 2kd3 s ARG 118 Ca 0.04 -1.97 0.04 0.00 -0.13 0.00 0.00 55.73 53.72 2kd3 s ARG 118 Cb -0.12 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 2kd3 s ARG 118 CO -0.06 -1.00 -0.13 0.08 -0.81 0.00 0.00 175.30 173.39 2kd3 s VAL 119 N 0.80 0.99 0.05 7.11 1.01 -1.05 -4.98 120.40 124.33 2kd3 s VAL 119 Ca 0.11 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2kd3 s VAL 119 Cb -0.21 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 2kd3 s VAL 119 CO -0.06 0.01 0.48 -1.10 0.00 0.00 0.00 175.10 174.43 2kd3 s GLN 120 N -1.01 4.02 -0.00 2.72 1.11 -1.25 -1.75 119.66 123.50 2kd3 s GLN 120 Ca 0.01 0.53 -0.30 0.00 0.01 0.00 0.00 55.36 55.60 2kd3 s GLN 120 Cb -0.07 -3.18 -0.03 0.00 -1.01 0.00 0.00 33.01 28.72 2kd3 s GLN 120 CO 0.01 0.64 1.00 -0.51 0.01 0.00 0.00 175.29 176.44 2kd3 s LEU 121 N -1.25 4.36 -0.05 2.90 1.43 0.70 -4.46 118.68 122.32 2kd3 s LEU 121 Ca 0.28 1.69 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 2kd3 s LEU 121 Cb -0.17 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2kd3 s LEU 121 CO 0.16 -0.29 0.34 -0.76 0.23 0.00 0.00 176.35 176.03 2kd3 s LEU 122 N 1.08 4.42 0.22 1.79 1.02 0.24 -2.27 118.68 125.18 2kd3 s LEU 122 Ca 0.52 0.79 0.10 0.00 0.02 0.00 0.00 54.13 55.56 2kd3 s LEU 122 Cb -0.22 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 2kd3 s LEU 122 CO 0.28 0.31 -0.10 0.00 0.02 0.00 0.00 176.35 176.85 2kd3 n PRO 124 N -0.29 1.13 -0.01 0.00 -0.02 -1.26 0.91 135.00 135.46 2kd3 n PRO 124 Ca -0.09 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2kd3 n PRO 124 Cb 0.57 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2kd3 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kd3 n GLY 125 N 6.03 0.27 3.41 -1.23 0.00 -1.26 -4.56 105.19 107.85 2kd3 n GLY 125 Ca 0.38 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 2kd3 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kd3 n GLY 126 N -2.00 -1.07 0.01 -0.02 0.00 0.26 -4.95 105.19 97.42 2kd3 n GLY 126 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 46.53 2kd3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kd3 n ALA 127 N -3.60 1.96 -2.79 4.61 0.00 -1.26 -4.83 120.51 114.60 2kd3 n ALA 127 Ca -0.09 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 2kd3 n ALA 127 Cb 0.61 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 2kd3 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kd3 n ALA 128 N -2.14 4.48 -1.77 0.00 0.00 -1.26 -5.08 120.51 114.73 2kd3 n ALA 128 Ca -0.03 -4.36 -0.38 0.00 0.00 0.00 0.00 53.44 48.67 2kd3 n ALA 128 Cb 0.55 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 2kd3 n ALA 128 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kd3 s PRO 129 N -3.38 4.10 0.09 0.00 0.04 -1.26 -4.70 135.00 129.89 2kd3 s PRO 129 Ca 0.46 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.39 2kd3 s PRO 129 Cb 0.34 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2kd3 s PRO 129 CO -0.14 -0.28 -0.12 1.03 0.04 0.00 0.00 177.00 177.53 2kd3 s ARG 130 N -2.25 0.84 -0.16 4.56 0.52 -0.96 -4.91 118.95 116.60 2kd3 s ARG 130 Ca 0.56 -1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 54.59 2kd3 s ARG 130 Cb -0.31 -0.65 -0.05 0.00 0.52 0.00 0.00 34.95 34.46 2kd3 s ARG 130 CO 0.39 0.12 0.18 0.45 0.02 0.00 0.00 175.30 176.46 2kd3 s SER 131 N -2.19 6.35 0.01 0.23 0.15 -1.26 0.25 113.70 117.23 2kd3 s SER 131 Ca 0.03 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2kd3 s SER 131 Cb -0.06 -2.11 -0.01 0.00 -1.71 0.00 0.00 66.02 62.13 2kd3 s SER 131 CO 0.01 0.24 -0.02 -0.60 1.20 0.00 0.00 173.24 174.08 2kd3 s ARG 132 N -0.14 0.17 0.06 5.44 3.52 -0.72 -4.93 118.95 122.36 2kd3 s ARG 132 Ca 0.13 -0.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.44 2kd3 s ARG 132 Cb -0.12 -0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.16 2kd3 s ARG 132 CO 0.02 0.01 0.33 -1.59 -0.81 0.00 0.00 175.30 173.26 2kd3 s LYS 133 N -0.46 3.64 -0.10 5.12 -2.85 -1.26 -2.52 119.74 121.31 2kd3 s LYS 133 Ca -0.04 -0.01 -0.04 0.00 -1.00 0.00 0.00 55.97 54.88 2kd3 s LYS 133 Cb -0.03 -3.00 0.05 0.00 -2.06 0.00 0.00 37.83 32.79 2kd3 s LYS 133 CO -0.00 0.58 0.21 0.14 0.10 0.00 0.00 175.35 176.38 2kd3 s VAL 134 N -1.41 -0.29 -0.29 1.79 -7.23 0.10 -4.99 120.40 108.09 2kd3 s VAL 134 Ca 0.32 0.29 -0.18 0.00 -1.81 0.00 0.00 61.98 60.60 2kd3 s VAL 134 Cb -0.13 -0.36 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 2kd3 s VAL 134 CO 0.19 0.12 0.54 -0.13 -0.31 0.00 0.00 175.10 175.51 2kd3 s ARG 135 N 2.18 3.96 -0.21 4.82 0.52 -1.26 -1.38 118.95 127.58 2kd3 s ARG 135 Ca 0.00 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.43 2kd3 s ARG 135 Cb -0.12 -3.69 -0.00 0.00 0.52 0.00 0.00 34.95 31.66 2kd3 s ARG 135 CO -0.07 -0.45 -0.09 -0.51 0.02 0.00 0.00 175.30 174.20 2kd3 s LEU 136 N 2.39 2.66 -0.74 2.53 2.01 0.02 -4.78 118.68 122.78 2kd3 s LEU 136 Ca 0.22 -0.47 -0.17 0.00 0.01 0.00 0.00 54.13 53.72 2kd3 s LEU 136 Cb -0.15 -1.66 -0.18 0.00 0.01 0.00 0.00 46.19 44.21 2kd3 s LEU 136 CO 0.10 -0.01 1.94 1.33 1.01 0.00 0.00 176.35 180.72 2kd3 n VAL 137 N 4.72 0.00 1.05 -1.59 0.24 -1.26 0.25 118.33 121.74 2kd3 n VAL 137 Ca -0.19 -0.35 0.11 0.00 -2.04 0.00 0.00 64.34 61.88 2kd3 n VAL 137 Cb 0.51 -1.13 0.57 0.00 -1.47 0.00 0.00 33.84 32.32 2kd3 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 n ALA 138 N 13.18 2.17 -3.61 2.33 0.00 -1.02 -3.35 120.51 130.21 2kd3 n ALA 138 Ca 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 2kd3 n ALA 138 Cb 0.40 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 2kd3 n ALA 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kd3 s SER 139 N -2.64 -1.04 0.20 0.00 0.15 -1.15 -4.98 113.70 104.24 2kd3 s SER 139 Ca 0.20 1.44 -0.02 0.00 0.70 0.00 0.00 55.95 58.28 2kd3 s SER 139 Cb 0.16 2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 66.55 2kd3 s SER 139 CO 0.37 -0.20 0.16 0.00 1.20 0.00 0.00 173.24 174.76 2kd3 s LYS 141 N -4.14 0.96 -0.73 0.00 1.02 -1.06 -4.86 119.74 110.93 2kd3 s LYS 141 Ca 0.37 -0.95 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 2kd3 s LYS 141 Cb 0.06 -1.03 0.05 0.00 -0.52 0.00 0.00 37.83 36.39 2kd3 s LYS 141 CO 0.11 0.24 1.15 0.00 -0.92 0.00 0.00 175.35 175.93 2kd3 s LYS 143 N 4.85 0.93 0.00 0.00 -0.14 -1.25 -4.88 119.74 119.24 2kd3 s LYS 143 Ca 0.30 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 54.17 2kd3 s LYS 143 Cb -0.11 -0.93 0.00 0.00 -1.68 0.00 0.00 37.83 35.11 2kd3 s LYS 143 CO 0.10 0.23 0.00 2.89 -0.76 0.00 0.00 175.35 177.81