#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 1.71 0.15 4.39 5.68 -1.26 -4.05 116.55 123.17 2kd3 n ASP 49 Ca 0.00 -2.14 0.02 0.00 -0.50 0.00 0.00 54.79 52.17 2kd3 n ASP 49 Cb 0.00 -0.39 0.35 0.00 -1.14 0.00 0.00 41.12 39.95 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2kd3 h VAL 50 N 1.01 1.24 -0.01 2.12 2.07 -2.03 -2.47 116.25 118.17 2kd3 h VAL 50 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2kd3 h VAL 50 Cb 0.63 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2kd3 h VAL 50 CO 0.08 0.33 -0.06 -1.54 0.02 0.00 0.00 177.57 176.40 2kd3 n SER 51 N -4.15 0.99 -0.05 0.57 3.41 -1.26 -3.98 113.62 109.15 2kd3 n SER 51 Ca -0.02 -1.17 -0.02 0.00 -0.26 0.00 0.00 58.87 57.41 2kd3 n SER 51 Cb 0.37 0.01 0.24 0.00 -0.26 0.00 0.00 64.21 64.56 2kd3 n SER 51 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2kd3 h GLU 52 N 1.47 0.63 -0.02 4.33 5.08 -1.73 -2.70 114.58 121.65 2kd3 h GLU 52 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2kd3 h GLU 52 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kd3 h GLU 52 CO 0.00 0.66 -0.13 2.48 -1.00 0.00 0.00 179.01 181.02 2kd3 n TYR 53 N -4.24 0.00 -2.78 4.33 4.11 -1.26 -4.96 117.16 112.35 2kd3 n TYR 53 Ca 0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.53 2kd3 n TYR 53 Cb 0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.55 2kd3 n TYR 53 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 2kd3 s SER 54 N -2.01 7.53 -0.14 9.48 0.01 -1.02 -4.43 113.70 123.12 2kd3 s SER 54 Ca 0.24 1.88 0.02 0.00 1.31 0.00 0.00 55.95 59.40 2kd3 s SER 54 Cb 0.18 -2.59 -0.23 0.00 0.21 0.00 0.00 66.02 63.59 2kd3 s SER 54 CO 0.35 0.10 0.28 0.00 0.41 0.00 0.00 173.24 174.38 2kd3 s ARG 56 N -2.55 1.32 -0.85 0.00 3.03 -1.26 -5.00 118.95 113.62 2kd3 s ARG 56 Ca -0.20 -0.61 -0.22 0.00 2.03 0.00 0.00 55.73 56.73 2kd3 s ARG 56 Cb 0.07 0.52 -0.19 0.00 -1.03 0.00 0.00 34.95 34.33 2kd3 s ARG 56 CO 0.75 -0.59 2.15 0.39 -1.13 0.00 0.00 175.30 176.88 2kd3 n GLU 57 N -0.39 0.28 -4.39 3.89 -0.58 -1.26 -4.86 120.64 113.33 2kd3 n GLU 57 Ca -0.10 -1.02 -0.34 0.00 -0.42 0.00 0.00 57.16 55.28 2kd3 n GLU 57 Cb 0.62 -3.29 -0.11 0.00 -0.57 0.00 0.00 31.44 28.08 2kd3 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kd3 s LEU 58 N 13.11 3.34 -0.30 -4.62 1.98 -1.26 -5.07 118.68 125.87 2kd3 s LEU 58 Ca 0.85 -0.06 -0.05 0.00 -2.89 0.00 0.00 54.13 51.98 2kd3 s LEU 58 Cb -0.16 -1.79 0.19 0.00 0.66 0.00 0.00 46.19 45.09 2kd3 s LEU 58 CO 0.16 0.23 0.88 -1.00 -1.89 0.00 0.00 176.35 174.73 2kd3 s HIS 59 N 0.03 -0.98 0.10 5.38 3.76 -1.26 -4.85 115.29 117.46 2kd3 s HIS 59 Ca 0.01 0.63 0.06 0.00 -0.15 0.00 0.00 55.06 55.61 2kd3 s HIS 59 Cb -0.13 0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.71 2kd3 s HIS 59 CO 0.02 -0.57 -0.05 0.71 -0.85 0.00 0.00 174.74 174.01 2kd3 s TYR 60 N 2.91 2.87 -0.64 1.40 2.02 0.16 -4.94 117.35 121.15 2kd3 s TYR 60 Ca 0.19 -0.09 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 2kd3 s TYR 60 Cb -0.06 -1.49 0.16 0.00 -0.40 0.00 0.00 41.96 40.17 2kd3 s TYR 60 CO -0.23 0.46 0.41 0.95 -1.57 0.00 0.00 175.55 175.57 2kd3 s THR 61 N -1.28 2.92 -0.17 -0.71 -4.23 -1.26 0.22 115.64 111.14 2kd3 s THR 61 Ca 0.24 -3.77 -0.02 0.00 -1.18 0.00 0.00 61.69 56.95 2kd3 s THR 61 Cb -0.11 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 2kd3 s THR 61 CO 0.16 -0.92 -0.08 -0.60 -0.54 0.00 0.00 174.62 172.65 2kd3 s ARG 62 N -0.88 3.43 0.00 3.99 3.52 -1.26 -4.93 118.95 122.81 2kd3 s ARG 62 Ca 0.21 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2kd3 s ARG 62 Cb -0.15 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 2kd3 s ARG 62 CO -0.09 0.04 0.00 1.19 -0.81 0.00 0.00 175.30 175.64 2kd3 n PHE 63 N 4.07 0.00 -3.64 5.12 3.72 -1.26 -4.82 117.46 120.65 2kd3 n PHE 63 Ca -0.18 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.16 2kd3 n PHE 63 Cb 0.52 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.31 -0.70 -0.04 4.37 2.34 -1.26 -4.86 118.68 117.22 2kd3 s LEU 64 Ca 0.00 1.16 0.02 0.00 0.06 0.00 0.00 54.13 55.38 2kd3 s LEU 64 Cb 0.00 2.09 0.01 0.00 -0.56 0.00 0.00 46.19 47.73 2kd3 s LEU 64 CO 0.00 -0.19 -0.09 0.42 -1.06 0.00 0.00 176.35 175.43 2kd3 s THR 65 N 1.19 0.86 0.00 5.48 -4.23 -1.26 -0.48 115.64 117.19 2kd3 s THR 65 Ca -0.07 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2kd3 s THR 65 Cb -0.04 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.01 2kd3 s THR 65 CO -0.14 0.28 0.00 -0.90 -0.54 0.00 0.00 174.62 173.32 2kd3 n ASP 66 N 3.58 0.00 -2.24 3.99 5.75 -1.05 -5.04 116.55 121.54 2kd3 n ASP 66 Ca -0.21 -0.14 -0.21 0.00 -0.01 0.00 0.00 54.79 54.22 2kd3 n ASP 66 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kd3 n GLY 67 N 0.00 -1.62 0.00 6.12 0.00 -1.26 -2.87 105.19 105.56 2kd3 n GLY 67 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.76 0.00 -3.48 1.61 -0.02 -1.26 -4.54 135.00 128.08 2kd3 n PRO 68 Ca 0.05 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 2kd3 n PRO 68 Cb 0.24 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.70 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 -3.36 0.58 0.70 0.00 3.52 -0.48 -2.54 118.95 117.37 2kd3 s ARG 70 Ca 0.04 0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 56.18 2kd3 s ARG 70 Cb -0.01 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.68 2kd3 s ARG 70 CO -0.10 -0.08 1.07 0.45 -0.81 0.00 0.00 175.30 175.83 2kd3 s SER 71 N 0.19 5.37 0.00 -2.12 0.15 0.37 -1.22 113.70 116.44 2kd3 s SER 71 Ca -0.01 1.02 0.06 0.00 0.70 0.00 0.00 55.95 57.72 2kd3 s SER 71 Cb -0.03 -1.81 0.10 0.00 -1.71 0.00 0.00 66.02 62.57 2kd3 s SER 71 CO 0.01 -1.35 0.92 0.00 1.20 0.00 0.00 173.24 174.01 2kd3 n ALA 72 N -2.96 2.38 -2.08 5.45 0.00 -1.26 -4.54 120.51 117.50 2kd3 n ALA 72 Ca 0.07 -1.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 2kd3 n ALA 72 Cb 0.58 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2kd3 n ALA 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kd3 s LYS 73 N 0.00 4.27 -0.34 0.00 -0.14 -1.26 -4.87 119.74 117.40 2kd3 s LYS 73 Ca 0.08 2.18 -0.41 0.00 -1.36 0.00 0.00 55.97 56.46 2kd3 s LYS 73 Cb 0.09 -3.29 -0.16 0.00 -1.68 0.00 0.00 37.83 32.79 2kd3 s LYS 73 CO -0.04 -0.54 1.83 -2.30 -0.76 0.00 0.00 175.35 173.54 2kd3 n PRO 74 N 4.28 0.90 -4.18 -1.68 -0.02 -1.26 -4.79 135.00 128.25 2kd3 n PRO 74 Ca 0.13 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 2kd3 n PRO 74 Cb 0.41 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 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 4.25 0.92 -0.19 -1.45 -7.23 -1.26 -5.12 120.40 110.32 2kd3 s VAL 75 Ca 1.03 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2kd3 s VAL 75 Cb -1.13 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2kd3 s VAL 75 CO 0.66 -0.58 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.84 2kd3 s THR 76 N -2.53 2.62 -0.14 5.32 2.01 -1.26 -4.37 115.64 117.29 2kd3 s THR 76 Ca 0.06 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2kd3 s THR 76 Cb -0.02 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.36 2kd3 s THR 76 CO -0.00 0.50 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.51 2kd3 s GLU 77 N 1.24 2.93 -0.22 4.92 2.12 0.61 -4.49 118.70 125.82 2kd3 s GLU 77 Ca 0.03 -0.82 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 2kd3 s GLU 77 Cb -0.14 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2kd3 s GLU 77 CO -0.07 -0.06 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.05 2kd3 s LEU 78 N 0.93 2.94 -0.99 2.70 1.02 -1.18 0.39 118.68 124.49 2kd3 s LEU 78 Ca -0.05 -0.37 -0.05 0.00 0.02 0.00 0.00 54.13 53.69 2kd3 s LEU 78 Cb -0.15 -1.75 0.25 0.00 0.02 0.00 0.00 46.19 44.56 2kd3 s LEU 78 CO -0.04 -0.01 0.93 1.33 0.02 0.00 0.00 176.35 178.58 2kd3 n VAL 79 N 4.73 3.70 -2.73 -1.59 0.24 -1.26 -4.74 118.33 116.67 2kd3 n VAL 79 Ca -0.18 -5.24 -0.43 0.00 -2.04 0.00 0.00 64.34 56.45 2kd3 n VAL 79 Cb 0.51 -2.46 -0.03 0.00 -1.47 0.00 0.00 33.84 30.39 2kd3 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 s SER 81 N 1.99 1.80 0.00 0.00 0.01 -0.51 -3.54 113.70 113.45 2kd3 s SER 81 Ca 0.41 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2kd3 s SER 81 Cb -0.11 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2kd3 s SER 81 CO 0.21 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2kd3 n GLY 82 N 5.18 2.71 3.23 3.44 0.00 -1.16 -4.88 105.19 113.71 2kd3 n GLY 82 Ca -0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 3.04 1.22 0.16 1.61 -0.21 -1.26 -1.61 119.66 122.61 2kd3 s GLN 83 Ca 0.00 -0.93 0.05 0.00 0.02 0.00 0.00 55.36 54.50 2kd3 s GLN 83 Cb 0.00 -1.33 -0.05 0.00 1.00 0.00 0.00 33.01 32.63 2kd3 s GLN 83 CO 0.00 0.33 -0.09 0.00 -2.12 0.00 0.00 175.29 173.41 2kd3 n GLY 85 N -0.23 3.89 3.67 0.00 0.00 -1.26 -1.26 105.19 110.00 2kd3 n GLY 85 Ca -0.10 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 2kd3 n GLY 85 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kd3 n PRO 86 N 1.16 1.52 0.00 1.61 -0.02 -1.26 -4.87 135.00 133.15 2kd3 n PRO 86 Ca 0.26 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 62.37 2kd3 n PRO 86 Cb 0.46 -2.31 0.35 0.00 -0.02 0.00 0.00 33.50 31.99 2kd3 n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kd3 n ALA 87 N -0.80 1.76 -2.57 3.55 0.00 -1.26 -4.54 120.51 116.64 2kd3 n ALA 87 Ca 0.10 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2kd3 n ALA 87 Cb 0.42 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.84 3.50 -0.39 0.00 6.06 -1.26 -5.01 118.95 119.02 2kd3 s ARG 88 Ca 0.10 0.10 -0.12 0.00 -2.50 0.00 0.00 55.73 53.31 2kd3 s ARG 88 Cb 0.10 -3.94 0.02 0.00 0.06 0.00 0.00 34.95 31.19 2kd3 s ARG 88 CO 0.26 -1.25 0.24 -0.51 -2.50 0.00 0.00 175.30 171.54 2kd3 s LEU 89 N 3.76 4.86 -0.39 -0.88 2.01 -1.26 -4.79 118.68 122.00 2kd3 s LEU 89 Ca 0.36 -0.96 0.02 0.00 0.01 0.00 0.00 54.13 53.56 2kd3 s LEU 89 Cb -0.10 -2.07 0.11 0.00 0.01 0.00 0.00 46.19 44.14 2kd3 s LEU 89 CO 0.25 -0.41 0.15 -0.76 1.01 0.00 0.00 176.35 176.59 2kd3 s LEU 90 N 1.60 3.47 -0.47 1.79 1.43 -1.26 -4.60 118.68 120.64 2kd3 s LEU 90 Ca 0.03 -2.29 -0.43 0.00 -1.03 0.00 0.00 54.13 50.41 2kd3 s LEU 90 Cb -0.19 -1.27 -0.18 0.00 0.03 0.00 0.00 46.19 44.58 2kd3 s LEU 90 CO 0.08 -0.33 2.00 -2.65 0.23 0.00 0.00 176.35 175.67 2kd3 n PRO 91 N 4.03 0.20 -3.83 1.29 -0.02 -1.23 -4.64 135.00 130.81 2kd3 n PRO 91 Ca 0.04 0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 2kd3 n PRO 91 Cb 0.38 -1.65 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 2kd3 n PRO 91 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2kd3 s ASN 92 N 5.33 6.23 0.57 2.55 3.84 -1.26 -4.88 114.94 127.31 2kd3 s ASN 92 Ca 1.14 0.33 0.35 0.00 0.21 0.00 0.00 52.86 54.89 2kd3 s ASN 92 Cb -1.40 -2.06 1.57 0.00 -0.55 0.00 0.00 41.25 38.81 2kd3 s ASN 92 CO 0.68 0.29 2.06 0.00 -2.79 0.00 0.00 177.10 177.33 2kd3 h ALA 93 N 5.88 1.01 -4.01 1.71 0.00 -1.90 -3.46 119.26 118.48 2kd3 h ALA 93 Ca -0.47 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2kd3 h ALA 93 Cb 1.19 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 2kd3 h ALA 93 CO 0.67 0.02 -0.22 -0.89 0.00 0.00 0.00 179.25 178.83 2kd3 n ILE 94 N -3.12 0.00 0.00 0.00 5.41 -1.26 0.15 119.36 120.53 2kd3 n ILE 94 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2kd3 n ILE 94 Cb 0.26 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 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 -0.51 3.19 3.20 7.39 0.00 -1.26 -5.04 105.19 112.17 2kd3 n GLY 95 Ca 0.03 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 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 1.30 -0.05 1.61 6.06 0.39 -5.14 118.95 123.12 2kd3 s ARG 96 Ca 0.00 -0.81 0.06 0.00 -2.50 0.00 0.00 55.73 52.48 2kd3 s ARG 96 Cb 0.00 -1.35 -0.01 0.00 0.06 0.00 0.00 34.95 33.65 2kd3 s ARG 96 CO 0.00 0.35 -0.25 0.08 -2.50 0.00 0.00 175.30 172.98 2kd3 s VAL 97 N -0.70 2.06 0.00 7.11 1.01 -1.26 -4.59 120.40 124.03 2kd3 s VAL 97 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2kd3 s VAL 97 Cb -0.08 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2kd3 s VAL 97 CO 0.01 0.57 0.00 2.29 0.00 0.00 0.00 175.10 177.97 2kd3 n LYS 98 N 2.84 0.00 -1.14 2.72 2.85 -1.26 -4.97 118.16 119.19 2kd3 n LYS 98 Ca -0.17 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.82 2kd3 n LYS 98 Cb 0.52 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.96 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 0.00 2.52 -1.50 5.58 4.27 -1.26 -5.01 117.44 122.03 2kd3 n TRP 99 Ca 0.00 -2.55 -0.45 0.00 -3.89 0.00 0.00 57.50 50.61 2kd3 n TRP 99 Cb 0.00 -1.23 -0.02 0.00 -1.36 0.00 0.00 31.31 28.70 2kd3 n TRP 99 CO 0.00 0.00 0.00 0.91 -2.29 0.00 0.00 177.69 176.31 2kd3 n TRP 100 N -0.40 0.35 -3.87 -2.67 5.03 -1.26 -4.94 117.44 109.69 2kd3 n TRP 100 Ca 0.49 0.78 -0.28 0.00 3.03 0.00 0.00 57.50 61.52 2kd3 n TRP 100 Cb 0.65 -2.10 -0.12 0.00 -1.03 0.00 0.00 31.31 28.71 2kd3 n TRP 100 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2kd3 n ARG 101 N 0.80 1.91 0.27 -0.99 1.74 -1.26 -4.92 116.66 114.21 2kd3 n ARG 101 Ca 0.13 -4.51 0.12 0.00 -0.77 0.00 0.00 57.85 52.81 2kd3 n ARG 101 Cb 0.31 -2.29 0.62 0.00 -1.02 0.00 0.00 32.46 30.08 2kd3 n ARG 101 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2kd3 h PRO 102 N 5.30 0.00 -0.04 5.56 0.13 -1.92 0.73 132.00 141.76 2kd3 h PRO 102 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2kd3 h PRO 102 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kd3 h PRO 102 CO 0.73 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 2kd3 n ASN 103 N -2.57 0.62 -1.46 1.44 3.02 -1.26 -4.57 115.26 110.48 2kd3 n ASN 103 Ca -0.02 -1.38 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2kd3 n ASN 103 Cb 0.38 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.99 -4.11 3.87 7.41 0.00 0.25 -4.69 105.19 108.92 2kd3 n GLY 104 Ca 0.18 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 2kd3 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kd3 s PRO 105 N -4.97 3.73 0.19 1.61 0.04 -1.26 -4.88 135.00 129.46 2kd3 s PRO 105 Ca 0.00 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 2kd3 s PRO 105 Cb 0.00 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2kd3 s PRO 105 CO 0.00 -0.27 1.15 -0.51 0.04 0.00 0.00 177.00 177.41 2kd3 s ASP 106 N -3.58 7.18 -0.15 6.66 1.01 -1.26 -4.83 116.67 121.70 2kd3 s ASP 106 Ca 0.54 2.18 -0.03 0.00 0.71 0.00 0.00 52.55 55.94 2kd3 s ASP 106 Cb -0.10 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 2kd3 s ASP 106 CO 0.40 -0.29 -0.04 -0.36 0.21 0.00 0.00 175.17 175.09 2kd3 s PHE 107 N -0.26 3.02 0.41 4.23 0.08 -0.39 -4.84 117.98 120.23 2kd3 s PHE 107 Ca 0.50 -0.29 -0.25 0.00 0.12 0.00 0.00 56.93 57.02 2kd3 s PHE 107 Cb -0.31 -1.94 -0.08 0.00 -0.57 0.00 0.00 43.02 40.11 2kd3 s PHE 107 CO 0.37 -0.01 1.21 1.03 -0.10 0.00 0.00 175.22 177.71 2kd3 s ARG 108 N 0.28 3.99 -0.68 0.44 0.52 0.60 0.25 118.95 124.35 2kd3 s ARG 108 Ca -0.03 1.92 -0.27 0.00 -0.52 0.00 0.00 55.73 56.83 2kd3 s ARG 108 Cb -0.14 -2.67 0.03 0.00 0.52 0.00 0.00 34.95 32.69 2kd3 s ARG 108 CO 0.03 -0.40 1.24 0.00 0.02 0.00 0.00 175.30 176.19 2kd3 s ILE 110 N 5.42 2.27 0.76 0.00 -4.36 -1.23 -1.43 121.20 122.62 2kd3 s ILE 110 Ca 0.37 -2.34 -0.13 0.00 -0.26 0.00 0.00 60.65 58.30 2kd3 s ILE 110 Cb -0.08 -2.28 0.05 0.00 1.25 0.00 0.00 42.46 41.40 2kd3 s ILE 110 CO 0.18 -0.42 1.13 -2.84 0.24 0.00 0.00 174.94 173.23 2kd3 s PRO 111 N -3.56 2.17 0.20 0.37 0.02 -1.25 -3.84 135.00 129.11 2kd3 s PRO 111 Ca 0.29 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2kd3 s PRO 111 Cb -0.03 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2kd3 s PRO 111 CO 0.13 -1.74 0.00 -0.25 -0.33 0.00 0.00 177.00 174.81 2kd3 n ASP 112 N -3.16 -0.00 -4.48 2.53 8.00 -1.26 -4.86 116.55 113.31 2kd3 n ASP 112 Ca 0.11 0.34 -0.27 0.00 0.71 0.00 0.00 54.79 55.68 2kd3 n ASP 112 Cb 0.52 0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.75 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 -2.00 1.74 0.14 -1.24 3.52 -1.25 -5.09 118.95 114.78 2kd3 s ARG 113 Ca 0.00 -1.41 0.07 0.00 -0.13 0.00 0.00 55.73 54.26 2kd3 s ARG 113 Cb 0.00 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 2kd3 s ARG 113 CO 0.00 0.42 -0.15 0.71 -0.81 0.00 0.00 175.30 175.46 2kd3 s TYR 114 N -1.67 1.56 0.10 5.12 1.51 -1.26 -3.65 117.35 119.06 2kd3 s TYR 114 Ca 0.22 -0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 55.66 2kd3 s TYR 114 Cb -0.08 -0.79 -0.06 0.00 -0.11 0.00 0.00 41.96 40.92 2kd3 s TYR 114 CO 0.12 0.22 0.40 0.50 -1.11 0.00 0.00 175.55 175.68 2kd3 s ARG 115 N -2.80 3.73 -0.33 -0.62 3.52 0.53 -4.75 118.95 118.23 2kd3 s ARG 115 Ca 0.12 0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 55.68 2kd3 s ARG 115 Cb -0.05 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2kd3 s ARG 115 CO 0.04 0.53 0.45 0.00 -0.81 0.00 0.00 175.30 175.52 2kd3 s ALA 116 N -1.47 3.51 -0.19 6.12 0.00 -1.26 -1.55 121.76 126.91 2kd3 s ALA 116 Ca 0.35 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2kd3 s ALA 116 Cb -0.13 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.14 2kd3 s ALA 116 CO 0.19 -1.04 -0.01 1.14 0.00 0.00 0.00 175.76 176.04 2kd3 s GLN 117 N 2.24 1.13 -0.42 0.00 -2.07 0.47 -5.01 119.66 115.99 2kd3 s GLN 117 Ca 0.17 -0.60 -0.06 0.00 -1.82 0.00 0.00 55.36 53.05 2kd3 s GLN 117 Cb -0.16 -2.19 0.10 0.00 -1.09 0.00 0.00 33.01 29.68 2kd3 s GLN 117 CO 0.12 -0.57 0.24 0.50 -1.32 0.00 0.00 175.29 174.26 2kd3 s ARG 118 N 1.67 2.25 0.26 9.60 3.52 -1.26 -1.22 118.95 133.77 2kd3 s ARG 118 Ca -0.02 -1.72 0.07 0.00 -0.13 0.00 0.00 55.73 53.94 2kd3 s ARG 118 Cb -0.17 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 2kd3 s ARG 118 CO -0.07 -1.06 -0.10 0.14 -0.81 0.00 0.00 175.30 173.40 2kd3 s VAL 119 N 1.25 1.75 -0.07 7.11 -7.23 -0.95 -4.91 120.40 117.35 2kd3 s VAL 119 Ca 0.06 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.93 2kd3 s VAL 119 Cb -0.24 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2kd3 s VAL 119 CO -0.02 -0.40 0.30 0.00 -0.31 0.00 0.00 175.10 174.67 2kd3 s GLN 120 N -3.68 3.84 0.14 4.82 -2.07 -1.25 -1.24 119.66 120.22 2kd3 s GLN 120 Ca 0.27 0.18 -0.30 0.00 -1.82 0.00 0.00 55.36 53.69 2kd3 s GLN 120 Cb 0.02 -3.26 -0.07 0.00 -1.09 0.00 0.00 33.01 28.61 2kd3 s GLN 120 CO 0.11 0.62 1.14 -0.51 -1.32 0.00 0.00 175.29 175.33 2kd3 s LEU 121 N -0.72 4.44 -0.02 2.60 1.43 0.83 -4.61 118.68 122.63 2kd3 s LEU 121 Ca 0.19 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.25 2kd3 s LEU 121 Cb -0.14 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2kd3 s LEU 121 CO 0.08 -0.32 0.35 -0.76 0.23 0.00 0.00 176.35 175.94 2kd3 s LEU 122 N 0.09 4.45 0.20 1.79 1.02 -0.35 -1.97 118.68 123.90 2kd3 s LEU 122 Ca 0.53 0.85 0.11 0.00 0.02 0.00 0.00 54.13 55.63 2kd3 s LEU 122 Cb -0.30 -2.51 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 2kd3 s LEU 122 CO 0.33 0.33 -0.18 0.00 0.02 0.00 0.00 176.35 176.86 2kd3 n PRO 124 N 0.10 1.56 0.00 0.00 -0.02 -1.26 -0.28 135.00 135.10 2kd3 n PRO 124 Ca -0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2kd3 n PRO 124 Cb 0.56 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 5.54 0.65 3.94 -1.23 0.00 -1.26 -4.63 105.19 108.20 2kd3 n GLY 125 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.94 -0.76 0.25 -0.02 0.00 0.62 -4.88 105.19 98.46 2kd3 n GLY 126 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.96 1.29 -2.92 4.61 0.00 -1.26 -4.82 120.51 113.44 2kd3 n ALA 127 Ca -0.12 -0.78 -0.24 0.00 0.00 0.00 0.00 53.44 52.29 2kd3 n ALA 127 Cb 0.48 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 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 -4.23 4.09 -1.45 0.00 0.00 -1.26 -5.10 120.51 112.56 2kd3 n ALA 128 Ca -0.24 -4.30 -0.38 0.00 0.00 0.00 0.00 53.44 48.52 2kd3 n ALA 128 Cb 0.57 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 19.30 2kd3 n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kd3 n PRO 129 N -0.15 0.49 -4.43 0.00 -0.04 -1.26 -4.92 135.00 124.68 2kd3 n PRO 129 Ca 0.30 0.19 -0.26 0.00 -0.04 0.00 0.00 63.50 63.69 2kd3 n PRO 129 Cb 0.50 -1.68 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 2kd3 n PRO 129 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kd3 s ARG 130 N -2.07 1.28 -0.16 0.54 0.52 -0.83 -4.93 118.95 113.29 2kd3 s ARG 130 Ca 0.68 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 54.67 2kd3 s ARG 130 Cb -0.44 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 2kd3 s ARG 130 CO 0.55 0.37 0.13 0.45 0.02 0.00 0.00 175.30 176.81 2kd3 s SER 131 N -1.72 6.22 -0.01 0.23 0.15 -1.26 0.29 113.70 117.59 2kd3 s SER 131 Ca 0.08 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 2kd3 s SER 131 Cb -0.10 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2kd3 s SER 131 CO 0.04 0.28 0.04 -0.60 1.20 0.00 0.00 173.24 174.20 2kd3 s ARG 132 N -0.28 0.10 0.10 5.44 3.52 -0.37 -4.92 118.95 122.55 2kd3 s ARG 132 Ca 0.11 -0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.55 2kd3 s ARG 132 Cb -0.12 0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.26 2kd3 s ARG 132 CO 0.01 -0.02 0.45 -1.59 -0.81 0.00 0.00 175.30 173.34 2kd3 s LYS 133 N -0.24 3.83 -0.12 5.12 -2.85 -1.26 -2.23 119.74 121.99 2kd3 s LYS 133 Ca -0.03 0.27 -0.06 0.00 -1.00 0.00 0.00 55.97 55.15 2kd3 s LYS 133 Cb -0.02 -2.97 0.05 0.00 -2.06 0.00 0.00 37.83 32.83 2kd3 s LYS 133 CO -0.00 0.53 0.28 0.08 0.10 0.00 0.00 175.35 176.34 2kd3 s VAL 134 N -1.43 -0.03 -0.29 1.79 1.01 -0.35 -4.98 120.40 116.11 2kd3 s VAL 134 Ca 0.35 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2kd3 s VAL 134 Cb -0.14 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.85 2kd3 s VAL 134 CO 0.18 0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.34 2kd3 s ARG 135 N 1.22 2.63 0.02 2.72 1.70 -1.26 -0.39 118.95 125.59 2kd3 s ARG 135 Ca -0.09 -1.14 0.08 0.00 -0.47 0.00 0.00 55.73 54.12 2kd3 s ARG 135 Cb -0.09 -3.18 -0.03 0.00 -0.57 0.00 0.00 34.95 31.08 2kd3 s ARG 135 CO -0.09 -0.55 -0.24 -0.51 -1.08 0.00 0.00 175.30 172.83 2kd3 s LEU 136 N 1.32 2.24 -1.01 -1.89 1.43 -0.60 -4.80 118.68 115.36 2kd3 s LEU 136 Ca -0.03 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 2kd3 s LEU 136 Cb -0.19 -1.35 -0.16 0.00 0.03 0.00 0.00 46.19 44.52 2kd3 s LEU 136 CO -0.01 0.28 2.13 0.68 0.23 0.00 0.00 176.35 179.66 2kd3 s VAL 137 N -0.77 3.17 0.31 -1.59 -7.23 -1.25 0.20 120.40 113.24 2kd3 s VAL 137 Ca 0.12 -0.25 0.38 0.00 -1.81 0.00 0.00 61.98 60.42 2kd3 s VAL 137 Cb -0.10 -3.88 0.41 0.00 0.56 0.00 0.00 36.38 33.37 2kd3 s VAL 137 CO 0.02 -0.33 2.13 0.00 -0.31 0.00 0.00 175.10 176.61 2kd3 h ALA 138 N 11.47 1.00 -1.91 1.32 0.00 -1.79 -3.11 119.26 126.24 2kd3 h ALA 138 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kd3 h ALA 138 Cb 0.99 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.56 2kd3 h ALA 138 CO 1.07 0.00 0.13 0.45 0.00 0.00 0.00 179.25 180.90 2kd3 s SER 139 N -5.42 -0.80 0.20 0.00 0.15 -1.26 -4.90 113.70 101.67 2kd3 s SER 139 Ca -0.01 1.36 0.02 0.00 0.70 0.00 0.00 55.95 58.02 2kd3 s SER 139 Cb 0.11 1.35 -0.05 0.00 -1.71 0.00 0.00 66.02 65.72 2kd3 s SER 139 CO 0.48 -0.22 0.01 0.00 1.20 0.00 0.00 173.24 174.71 2kd3 s LYS 141 N -3.92 2.18 -0.95 0.00 1.02 -1.25 -4.96 119.74 111.86 2kd3 s LYS 141 Ca 0.27 -0.88 -0.24 0.00 0.02 0.00 0.00 55.97 55.14 2kd3 s LYS 141 Cb 0.06 -2.00 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2kd3 s LYS 141 CO 0.07 0.47 1.40 0.00 -0.92 0.00 0.00 175.35 176.37 2kd3 s LYS 143 N 5.07 0.63 0.00 0.00 2.47 -1.09 -4.75 119.74 122.08 2kd3 s LYS 143 Ca 0.43 -1.14 0.00 0.00 -1.56 0.00 0.00 55.97 53.70 2kd3 s LYS 143 Cb -0.02 0.03 0.00 0.00 -1.46 0.00 0.00 37.83 36.38 2kd3 s LYS 143 CO -0.04 -0.06 0.00 0.54 0.16 0.00 0.00 175.35 175.95