#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 2.07 0.20 4.39 8.00 -1.26 -4.09 116.55 125.86 2kd3 n ASP 49 Ca 0.00 -2.20 0.03 0.00 0.71 0.00 0.00 54.79 53.33 2kd3 n ASP 49 Cb 0.00 -0.44 0.41 0.00 -0.02 0.00 0.00 41.12 41.06 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 1.22 1.22 -0.00 2.53 2.07 -1.91 -2.15 116.25 119.22 2kd3 h VAL 50 Ca 0.00 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2kd3 h VAL 50 Cb 0.76 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2kd3 h VAL 50 CO 0.11 0.30 -0.04 -1.54 0.02 0.00 0.00 177.57 176.41 2kd3 n SER 51 N -4.18 0.23 -0.10 0.57 3.41 -1.25 -3.55 113.62 108.75 2kd3 n SER 51 Ca -0.02 -0.52 -0.05 0.00 -0.26 0.00 0.00 58.87 58.02 2kd3 n SER 51 Cb 0.35 -0.14 0.15 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.30 0.77 0.00 4.33 4.39 -1.68 -3.39 114.58 119.29 2kd3 h GLU 52 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2kd3 h GLU 52 Cb 0.27 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2kd3 h GLU 52 CO 0.00 0.82 -0.10 0.66 -1.16 0.00 0.00 179.01 179.22 2kd3 n TYR 53 N -4.19 0.00 -2.59 4.33 4.02 -1.25 -5.11 117.16 112.37 2kd3 n TYR 53 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2kd3 n TYR 53 Cb 0.33 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2kd3 n SER 54 N -2.73 0.00 -2.95 7.72 2.88 -1.23 -4.68 113.62 112.63 2kd3 n SER 54 Ca -0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.52 2kd3 n SER 54 Cb 0.05 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 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 1.46 3.87 -0.10 0.00 1.74 -1.26 -4.01 116.66 118.37 2kd3 n ARG 56 Ca -0.07 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.11 2kd3 n ARG 56 Cb 0.29 0.00 0.34 0.00 -1.02 0.00 0.00 32.46 32.07 2kd3 n ARG 56 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kd3 n GLU 57 N 0.00 1.74 -2.75 5.56 1.02 -1.26 -4.83 120.64 120.12 2kd3 n GLU 57 Ca 0.00 -1.12 -0.42 0.00 -0.02 0.00 0.00 57.16 55.60 2kd3 n GLU 57 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 2kd3 n GLU 57 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2kd3 s LEU 58 N -1.48 4.20 0.28 -4.62 2.34 -1.26 -5.04 118.68 113.10 2kd3 s LEU 58 Ca 0.31 1.38 0.11 0.00 0.06 0.00 0.00 54.13 55.99 2kd3 s LEU 58 Cb 0.17 -3.44 -0.05 0.00 -0.56 0.00 0.00 46.19 42.30 2kd3 s LEU 58 CO 0.25 -0.47 -0.14 -1.00 -1.06 0.00 0.00 176.35 173.93 2kd3 s HIS 59 N 2.28 2.41 0.20 3.48 3.76 -1.25 -2.11 115.29 124.05 2kd3 s HIS 59 Ca 0.44 -0.30 0.11 0.00 -0.15 0.00 0.00 55.06 55.16 2kd3 s HIS 59 Cb -0.17 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 2kd3 s HIS 59 CO 0.14 0.69 -0.23 0.71 -0.85 0.00 0.00 174.74 175.19 2kd3 s TYR 60 N -2.46 2.28 -0.92 1.40 2.02 0.41 -4.86 117.35 115.23 2kd3 s TYR 60 Ca 0.30 -0.36 -0.12 0.00 -0.37 0.00 0.00 57.07 56.53 2kd3 s TYR 60 Cb -0.05 -1.11 0.24 0.00 -0.40 0.00 0.00 41.96 40.63 2kd3 s TYR 60 CO 0.17 0.52 0.87 -0.08 -1.57 0.00 0.00 175.55 175.46 2kd3 s THR 61 N -1.78 5.64 -0.19 -0.71 -1.32 -1.26 -1.94 115.64 114.07 2kd3 s THR 61 Ca 0.22 -2.86 -0.00 0.00 -1.21 0.00 0.00 61.69 57.83 2kd3 s THR 61 Cb -0.07 -4.45 0.01 0.00 -1.51 0.00 0.00 72.50 66.48 2kd3 s THR 61 CO 0.10 -1.08 -0.15 -0.60 -2.21 0.00 0.00 174.62 170.68 2kd3 s ARG 62 N -0.38 3.08 0.00 7.08 3.52 -1.26 -4.97 118.95 126.02 2kd3 s ARG 62 Ca 0.23 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 2kd3 s ARG 62 Cb -0.10 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 2kd3 s ARG 62 CO -0.09 -0.22 0.00 1.19 -0.81 0.00 0.00 175.30 175.38 2kd3 n PHE 63 N 4.67 0.00 -3.63 5.12 3.72 -1.26 -4.79 117.46 121.29 2kd3 n PHE 63 Ca -0.20 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.14 2kd3 n PHE 63 Cb 0.50 0.00 -0.05 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 -2.66 -0.20 0.03 4.37 2.34 -1.26 -4.79 118.68 116.52 2kd3 s LEU 64 Ca 0.00 0.28 0.01 0.00 0.06 0.00 0.00 54.13 54.48 2kd3 s LEU 64 Cb 0.00 1.43 -0.02 0.00 -0.56 0.00 0.00 46.19 47.04 2kd3 s LEU 64 CO 0.00 -0.13 -0.05 0.42 -1.06 0.00 0.00 176.35 175.53 2kd3 s THR 65 N -0.61 0.31 0.00 5.48 -4.23 -1.26 -1.65 115.64 113.68 2kd3 s THR 65 Ca 0.05 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2kd3 s THR 65 Cb -0.02 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.42 2kd3 s THR 65 CO -0.07 -0.37 0.00 -0.67 -0.54 0.00 0.00 174.62 172.97 2kd3 n ASP 66 N 1.74 0.00 -2.68 3.99 2.03 -1.02 -5.03 116.55 115.58 2kd3 n ASP 66 Ca -0.22 -0.75 -0.25 0.00 0.52 0.00 0.00 54.79 54.09 2kd3 n ASP 66 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kd3 n GLY 67 N 0.00 -1.94 0.00 0.27 0.00 -1.26 -2.87 105.19 99.39 2kd3 n GLY 67 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.92 0.00 -3.51 1.61 -0.02 -1.26 -4.55 135.00 128.18 2kd3 n PRO 68 Ca 0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 2kd3 n PRO 68 Cb 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.72 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 -2.11 0.61 0.64 0.00 0.52 0.67 -2.45 118.95 116.83 2kd3 s ARG 70 Ca -0.03 0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 55.39 2kd3 s ARG 70 Cb -0.01 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.76 2kd3 s ARG 70 CO -0.01 -0.13 0.99 0.45 0.02 0.00 0.00 175.30 176.63 2kd3 s SER 71 N -0.43 5.56 -0.14 0.23 0.15 -0.66 0.13 113.70 118.54 2kd3 s SER 71 Ca -0.06 0.94 0.13 0.00 0.70 0.00 0.00 55.95 57.66 2kd3 s SER 71 Cb -0.03 -1.85 0.30 0.00 -1.71 0.00 0.00 66.02 62.72 2kd3 s SER 71 CO 0.03 -1.18 1.21 0.00 1.20 0.00 0.00 173.24 174.50 2kd3 n ALA 72 N -2.78 3.02 -1.94 5.45 0.00 -1.26 -4.58 120.51 118.42 2kd3 n ALA 72 Ca 0.06 -1.50 -0.34 0.00 0.00 0.00 0.00 53.44 51.66 2kd3 n ALA 72 Cb 0.57 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.64 4.22 -0.00 0.00 1.02 -1.26 -4.97 119.74 118.11 2kd3 s LYS 73 Ca 0.15 0.99 -0.31 0.00 0.02 0.00 0.00 55.97 56.81 2kd3 s LYS 73 Cb 0.26 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 35.05 2kd3 s LYS 73 CO -0.08 0.12 1.95 -0.35 -0.92 0.00 0.00 175.35 176.07 2kd3 n PRO 74 N -0.23 2.66 -4.23 -1.68 -0.04 -1.26 -4.77 135.00 125.45 2kd3 n PRO 74 Ca 0.04 0.98 -0.17 0.00 -0.04 0.00 0.00 63.50 64.31 2kd3 n PRO 74 Cb 0.53 -2.90 -0.13 0.00 -0.04 0.00 0.00 33.50 30.96 2kd3 n PRO 74 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kd3 s VAL 75 N 4.33 0.67 -0.08 0.52 -7.23 -1.26 -5.10 120.40 112.24 2kd3 s VAL 75 Ca 0.90 -0.64 0.03 0.00 -1.81 0.00 0.00 61.98 60.45 2kd3 s VAL 75 Cb -0.52 -0.62 0.01 0.00 0.56 0.00 0.00 36.38 35.82 2kd3 s VAL 75 CO 0.45 -0.01 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.17 2kd3 s THR 76 N -0.62 1.50 0.04 5.32 2.01 -1.26 -4.20 115.64 118.43 2kd3 s THR 76 Ca -0.01 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 2kd3 s THR 76 Cb -0.06 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 2kd3 s THR 76 CO 0.00 0.44 0.11 -1.83 -0.69 0.00 0.00 174.62 172.65 2kd3 s GLU 77 N 0.58 0.61 0.25 4.92 -1.05 -0.82 -4.71 118.70 118.47 2kd3 s GLU 77 Ca -0.15 -0.74 -0.14 0.00 -0.15 0.00 0.00 54.97 53.79 2kd3 s GLU 77 Cb -0.17 0.24 -0.08 0.00 -0.44 0.00 0.00 34.13 33.69 2kd3 s GLU 77 CO 0.05 -0.16 0.64 -0.51 0.95 0.00 0.00 175.26 176.24 2kd3 s LEU 78 N -2.13 4.18 -0.82 1.83 1.02 -0.92 0.16 118.68 122.00 2kd3 s LEU 78 Ca -0.05 1.15 -0.04 0.00 0.02 0.00 0.00 54.13 55.21 2kd3 s LEU 78 Cb -0.01 -3.75 0.21 0.00 0.02 0.00 0.00 46.19 42.66 2kd3 s LEU 78 CO -0.05 -0.08 0.70 0.68 0.02 0.00 0.00 176.35 177.63 2kd3 s VAL 79 N -1.78 4.44 -0.45 -1.59 -7.23 -0.90 -4.79 120.40 108.11 2kd3 s VAL 79 Ca 0.48 -3.39 -0.19 0.00 -1.81 0.00 0.00 61.98 57.06 2kd3 s VAL 79 Cb -0.12 -3.78 0.03 0.00 0.56 0.00 0.00 36.38 33.07 2kd3 s VAL 79 CO 0.19 -1.02 0.57 0.00 -0.31 0.00 0.00 175.10 174.53 2kd3 s SER 81 N 2.10 1.55 0.00 0.00 0.15 -1.26 -4.73 113.70 111.51 2kd3 s SER 81 Ca 0.18 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2kd3 s SER 81 Cb -0.16 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2kd3 s SER 81 CO 0.16 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2kd3 n GLY 82 N 5.09 3.13 3.32 9.45 0.00 -1.26 -4.80 105.19 120.13 2kd3 n GLY 82 Ca 0.01 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 1.66 1.43 0.20 1.61 -0.21 -1.26 -2.88 119.66 120.21 2kd3 s GLN 83 Ca 0.00 -1.14 0.11 0.00 0.02 0.00 0.00 55.36 54.35 2kd3 s GLN 83 Cb 0.00 -1.69 -0.04 0.00 1.00 0.00 0.00 33.01 32.27 2kd3 s GLN 83 CO 0.00 0.42 -0.20 0.00 -2.12 0.00 0.00 175.29 173.39 2kd3 n GLY 85 N 0.12 -1.41 3.65 0.00 0.00 -1.26 -4.56 105.19 101.73 2kd3 n GLY 85 Ca -0.11 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2kd3 n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kd3 n PRO 86 N -3.14 1.75 0.00 1.61 -0.04 -1.26 -4.85 135.00 129.07 2kd3 n PRO 86 Ca -0.01 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 2kd3 n PRO 86 Cb 0.61 -2.10 0.79 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.26 2.53 -1.84 0.55 0.00 -1.26 -4.83 120.51 115.92 2kd3 n ALA 87 Ca 0.07 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 2kd3 n ALA 87 Cb 0.34 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2kd3 n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kd3 s ARG 88 N -2.00 4.46 -0.25 0.00 1.81 -1.26 -5.01 118.95 116.70 2kd3 s ARG 88 Ca 0.40 2.03 -0.06 0.00 -1.72 0.00 0.00 55.73 56.38 2kd3 s ARG 88 Cb 0.18 -3.15 -0.01 0.00 -0.45 0.00 0.00 34.95 31.52 2kd3 s ARG 88 CO 0.31 -0.08 0.03 -0.51 -0.68 0.00 0.00 175.30 174.36 2kd3 s LEU 89 N -1.17 3.29 -0.23 2.53 2.01 -1.26 -4.87 118.68 118.97 2kd3 s LEU 89 Ca 0.50 -0.38 -0.06 0.00 0.01 0.00 0.00 54.13 54.20 2kd3 s LEU 89 Cb -0.36 -1.84 -0.03 0.00 0.01 0.00 0.00 46.19 43.97 2kd3 s LEU 89 CO 0.45 -0.06 0.04 -0.76 1.01 0.00 0.00 176.35 177.03 2kd3 s LEU 90 N 1.54 3.35 -0.72 1.79 1.43 -1.26 -4.68 118.68 120.12 2kd3 s LEU 90 Ca 0.05 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 2kd3 s LEU 90 Cb -0.15 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2kd3 s LEU 90 CO 0.01 -0.00 1.86 -2.16 0.23 0.00 0.00 176.35 176.28 2kd3 s PRO 91 N 1.42 2.64 -0.51 1.29 0.04 -1.24 -4.30 135.00 134.34 2kd3 s PRO 91 Ca 0.05 0.24 0.07 0.00 0.04 0.00 0.00 61.00 61.39 2kd3 s PRO 91 Cb -0.15 -4.63 0.20 0.00 0.04 0.00 0.00 34.50 29.96 2kd3 s PRO 91 CO 0.02 -2.92 0.73 -1.71 0.04 0.00 0.00 177.00 173.16 2kd3 n ASN 92 N 12.98 -3.15 -0.06 6.66 5.15 -1.26 -4.63 115.26 130.94 2kd3 n ASN 92 Ca 0.27 -2.95 -0.12 0.00 -0.60 0.00 0.00 54.58 51.18 2kd3 n ASN 92 Cb 0.50 1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 41.31 2kd3 n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kd3 h ALA 93 N 4.85 0.25 0.00 5.20 0.00 -1.91 -3.41 119.26 124.24 2kd3 h ALA 93 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kd3 h ALA 93 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kd3 h ALA 93 CO 0.09 -0.01 -0.06 -0.89 0.00 0.00 0.00 179.25 178.38 2kd3 n ILE 94 N -4.69 0.00 0.00 0.00 -0.00 -1.26 -5.04 119.36 108.38 2kd3 n ILE 94 Ca -0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 2kd3 n ILE 94 Cb 0.24 0.36 0.00 0.00 -0.00 0.00 0.00 39.64 40.24 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 0.19 0.96 0.00 7.39 0.00 -1.26 -5.11 105.19 107.36 2kd3 n GLY 95 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2kd3 n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kd3 n ARG 96 N 0.00 0.64 0.00 1.61 1.74 -1.26 -5.10 116.66 114.29 2kd3 n ARG 96 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kd3 n ARG 96 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kd3 n ARG 96 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2kd3 n VAL 97 N -0.96 0.00 -0.93 1.55 0.31 -1.26 -4.91 118.33 112.14 2kd3 n VAL 97 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2kd3 n VAL 97 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2kd3 n VAL 97 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2kd3 n LYS 98 N 0.00 -1.21 -0.23 5.55 2.85 -1.26 -4.28 118.16 119.58 2kd3 n LYS 98 Ca 0.00 0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2kd3 n LYS 98 Cb 0.00 -3.98 0.00 0.00 -0.65 0.00 0.00 35.03 30.40 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 -1.03 0.00 -0.92 5.58 4.27 -1.26 -5.13 117.44 118.94 2kd3 n TRP 99 Ca -0.02 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.26 2kd3 n TRP 99 Cb 0.08 0.16 -0.02 0.00 -1.36 0.00 0.00 31.31 30.17 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 0.00 -0.23 -3.73 -2.67 5.03 -1.26 -4.93 117.44 109.65 2kd3 n TRP 100 Ca 0.00 0.64 -0.28 0.00 3.03 0.00 0.00 57.50 60.89 2kd3 n TRP 100 Cb 0.51 -1.29 -0.12 0.00 -1.03 0.00 0.00 31.31 29.38 2kd3 n TRP 100 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 2kd3 s ARG 101 N -0.58 1.76 0.01 -0.99 3.00 -1.26 -4.95 118.95 115.95 2kd3 s ARG 101 Ca 0.44 -2.67 0.01 0.00 0.00 0.00 0.00 55.73 53.50 2kd3 s ARG 101 Cb -0.64 -2.64 0.04 0.00 0.00 0.00 0.00 34.95 31.72 2kd3 s ARG 101 CO 0.37 -1.27 0.95 -2.30 0.00 0.00 0.00 175.30 173.05 2kd3 n PRO 102 N 2.63 0.01 -0.16 3.54 -0.02 -1.26 -1.93 135.00 137.80 2kd3 n PRO 102 Ca 0.19 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.18 2kd3 n PRO 102 Cb 0.38 -1.59 0.38 0.00 -0.02 0.00 0.00 33.50 32.65 2kd3 n PRO 102 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2kd3 h ASN 103 N 0.00 0.60 -3.51 2.55 2.35 -1.91 -3.41 115.58 112.25 2kd3 h ASN 103 Ca 0.00 0.00 0.31 0.00 -0.55 0.00 0.00 56.30 56.06 2kd3 h ASN 103 Cb 0.15 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 38.29 2kd3 h ASN 103 CO 0.00 0.39 -0.62 0.61 -1.65 0.00 0.00 177.43 176.16 2kd3 n GLY 104 N -1.46 -2.25 3.74 2.83 0.00 -0.81 -4.77 105.19 102.47 2kd3 n GLY 104 Ca 0.10 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.64 4.53 0.20 1.61 0.04 -1.26 -4.92 135.00 132.56 2kd3 s PRO 105 Ca 0.00 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 2kd3 s PRO 105 Cb 0.00 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 2kd3 s PRO 105 CO 0.00 -0.02 0.94 -0.51 0.04 0.00 0.00 177.00 177.45 2kd3 s ASP 106 N -0.02 7.60 0.08 6.66 1.01 -1.26 -4.93 116.67 125.80 2kd3 s ASP 106 Ca 0.51 1.90 0.10 0.00 0.71 0.00 0.00 52.55 55.76 2kd3 s ASP 106 Cb -0.32 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 40.98 2kd3 s ASP 106 CO 0.37 0.10 -0.26 -0.36 0.21 0.00 0.00 175.17 175.23 2kd3 s PHE 107 N -0.86 2.23 -0.20 4.23 0.08 -1.26 -4.96 117.98 117.24 2kd3 s PHE 107 Ca 0.42 -0.40 -0.36 0.00 0.12 0.00 0.00 56.93 56.72 2kd3 s PHE 107 Cb -0.25 -1.27 0.15 0.00 -0.57 0.00 0.00 43.02 41.07 2kd3 s PHE 107 CO 0.31 0.21 1.35 -0.98 -0.10 0.00 0.00 175.22 176.02 2kd3 s ARG 108 N -1.61 0.11 -0.02 0.44 1.70 0.50 -4.00 118.95 116.06 2kd3 s ARG 108 Ca 0.12 -0.05 -0.29 0.00 -0.47 0.00 0.00 55.73 55.04 2kd3 s ARG 108 Cb -0.10 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.30 2kd3 s ARG 108 CO 0.04 -0.05 0.95 0.00 -1.08 0.00 0.00 175.30 175.15 2kd3 s ILE 110 N 1.11 1.74 0.70 0.00 2.07 -1.17 -4.53 121.20 121.13 2kd3 s ILE 110 Ca 0.50 -0.97 -0.16 0.00 -1.41 0.00 0.00 60.65 58.60 2kd3 s ILE 110 Cb -0.20 -1.45 -0.00 0.00 0.13 0.00 0.00 42.46 40.93 2kd3 s ILE 110 CO 0.25 0.47 0.97 -0.81 -1.91 0.00 0.00 174.94 173.91 2kd3 n PRO 111 N 2.47 0.58 0.04 3.50 -0.04 -1.26 -3.68 135.00 136.61 2kd3 n PRO 111 Ca -0.16 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kd3 n PRO 111 Cb 0.52 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 2kd3 n PRO 111 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kd3 n ASP 112 N -1.52 0.97 -4.21 3.54 2.03 -1.25 -4.84 116.55 111.26 2kd3 n ASP 112 Ca 0.13 0.13 -0.23 0.00 0.52 0.00 0.00 54.79 55.34 2kd3 n ASP 112 Cb 0.49 -0.29 -0.13 0.00 -0.72 0.00 0.00 41.12 40.47 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2kd3 s ARG 113 N -1.87 1.14 0.19 -0.67 3.52 -1.09 -5.07 118.95 115.10 2kd3 s ARG 113 Ca 0.00 -0.89 0.11 0.00 -0.13 0.00 0.00 55.73 54.82 2kd3 s ARG 113 Cb 0.00 -1.22 -0.04 0.00 -1.56 0.00 0.00 34.95 32.12 2kd3 s ARG 113 CO 0.00 0.30 -0.23 0.71 -0.81 0.00 0.00 175.30 175.28 2kd3 s TYR 114 N -0.89 2.21 0.16 5.12 1.51 -1.26 -2.24 117.35 121.97 2kd3 s TYR 114 Ca 0.04 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 2kd3 s TYR 114 Cb -0.09 -1.09 -0.07 0.00 -0.11 0.00 0.00 41.96 40.61 2kd3 s TYR 114 CO 0.02 0.48 0.49 0.50 -1.11 0.00 0.00 175.55 175.93 2kd3 s ARG 115 N -2.73 3.81 -0.17 -0.62 3.52 0.76 -4.63 118.95 118.89 2kd3 s ARG 115 Ca 0.20 0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.79 2kd3 s ARG 115 Cb -0.07 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 2kd3 s ARG 115 CO 0.10 0.44 0.92 0.00 -0.81 0.00 0.00 175.30 175.94 2kd3 s ALA 116 N -1.60 3.54 -0.10 6.12 0.00 -1.26 -0.19 121.76 128.27 2kd3 s ALA 116 Ca 0.40 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2kd3 s ALA 116 Cb -0.13 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2kd3 s ALA 116 CO 0.20 -0.75 -0.14 -0.65 0.00 0.00 0.00 175.76 174.43 2kd3 s GLN 117 N 2.40 2.04 -0.33 0.00 -1.52 0.16 -4.96 119.66 117.44 2kd3 s GLN 117 Ca 0.42 -0.49 0.02 0.00 -1.95 0.00 0.00 55.36 53.36 2kd3 s GLN 117 Cb -0.17 -1.77 0.10 0.00 -0.22 0.00 0.00 33.01 30.96 2kd3 s GLN 117 CO 0.12 -0.08 0.07 0.50 -0.25 0.00 0.00 175.29 175.65 2kd3 s ARG 118 N 1.03 1.21 0.07 2.91 3.52 -1.26 0.24 118.95 126.67 2kd3 s ARG 118 Ca -0.06 -1.58 0.08 0.00 -0.13 0.00 0.00 55.73 54.04 2kd3 s ARG 118 Cb -0.15 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 2kd3 s ARG 118 CO -0.02 -0.95 -0.21 0.08 -0.81 0.00 0.00 175.30 173.40 2kd3 s VAL 119 N 1.16 1.67 -0.07 7.11 1.01 -0.85 -4.96 120.40 125.48 2kd3 s VAL 119 Ca 0.10 -1.38 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 2kd3 s VAL 119 Cb -0.18 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2kd3 s VAL 119 CO -0.14 0.05 0.46 0.00 0.00 0.00 0.00 175.10 175.47 2kd3 s GLN 120 N -1.57 4.21 0.14 2.72 -2.07 -1.25 -1.95 119.66 119.89 2kd3 s GLN 120 Ca 0.07 0.46 -0.30 0.00 -1.82 0.00 0.00 55.36 53.76 2kd3 s GLN 120 Cb -0.09 -3.35 -0.07 0.00 -1.09 0.00 0.00 33.01 28.41 2kd3 s GLN 120 CO 0.03 0.36 1.02 -0.51 -1.32 0.00 0.00 175.29 174.87 2kd3 s LEU 121 N -0.04 4.50 0.33 2.60 1.43 0.92 -4.43 118.68 123.99 2kd3 s LEU 121 Ca 0.25 1.91 -0.21 0.00 -1.03 0.00 0.00 54.13 55.05 2kd3 s LEU 121 Cb -0.16 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 2kd3 s LEU 121 CO 0.12 -0.12 0.86 -0.76 0.23 0.00 0.00 176.35 176.67 2kd3 s LEU 122 N -0.16 4.19 -0.42 1.79 1.43 0.34 -0.81 118.68 125.05 2kd3 s LEU 122 Ca 0.48 1.60 -0.09 0.00 -1.03 0.00 0.00 54.13 55.09 2kd3 s LEU 122 Cb -0.26 -4.06 0.08 0.00 0.03 0.00 0.00 46.19 41.98 2kd3 s LEU 122 CO 0.32 -0.14 0.26 0.00 0.23 0.00 0.00 176.35 177.01 2kd3 s PRO 124 N 1.43 2.54 0.00 0.00 0.02 -1.26 -0.71 135.00 137.01 2kd3 s PRO 124 Ca 0.03 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.74 2kd3 s PRO 124 Cb -0.23 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 29.79 2kd3 s PRO 124 CO 0.02 -2.78 0.00 0.41 -0.33 0.00 0.00 177.00 174.32 2kd3 n GLY 125 N 5.91 0.55 3.60 0.52 0.00 -1.26 -5.01 105.19 109.49 2kd3 n GLY 125 Ca 0.34 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 2kd3 n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kd3 s GLY 126 N -2.77 -0.62 -0.23 -0.02 0.00 0.11 -5.04 107.32 98.74 2kd3 s GLY 126 Ca 0.00 2.31 -0.03 0.00 0.00 0.00 0.00 44.72 47.00 2kd3 s GLY 126 CO 0.00 2.47 2.75 0.00 0.00 0.00 0.00 173.10 178.32 2kd3 n ALA 127 N 4.56 5.80 -3.13 3.20 0.00 -1.26 -3.73 120.51 125.95 2kd3 n ALA 127 Ca -0.18 -1.98 -0.27 0.00 0.00 0.00 0.00 53.44 51.01 2kd3 n ALA 127 Cb 0.57 -1.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 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 1.31 4.36 -1.58 0.00 0.00 -1.26 -5.05 120.51 118.28 2kd3 n ALA 128 Ca 0.36 -4.68 -0.37 0.00 0.00 0.00 0.00 53.44 48.76 2kd3 n ALA 128 Cb 0.66 -0.80 0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.20 0.86 -4.35 0.00 -0.04 -1.26 -4.67 135.00 125.74 2kd3 n PRO 129 Ca 0.30 0.35 -0.23 0.00 -0.04 0.00 0.00 63.50 63.88 2kd3 n PRO 129 Cb 0.41 -2.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.39 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 -3.26 1.31 -0.14 0.54 0.52 0.01 -4.89 118.95 113.04 2kd3 s ARG 130 Ca 0.79 -1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 2kd3 s ARG 130 Cb -0.38 -1.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 2kd3 s ARG 130 CO 0.44 0.30 0.02 0.45 0.02 0.00 0.00 175.30 176.53 2kd3 s SER 131 N -2.63 5.28 -0.11 0.23 0.15 -1.26 0.31 113.70 115.67 2kd3 s SER 131 Ca 0.16 0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.77 2kd3 s SER 131 Cb -0.06 -1.77 0.03 0.00 -1.71 0.00 0.00 66.02 62.51 2kd3 s SER 131 CO 0.07 0.24 0.28 -0.60 1.20 0.00 0.00 173.24 174.43 2kd3 s ARG 132 N -0.04 0.31 0.10 5.44 3.52 -0.82 -4.93 118.95 122.54 2kd3 s ARG 132 Ca 0.04 0.43 -0.08 0.00 -0.13 0.00 0.00 55.73 55.98 2kd3 s ARG 132 Cb -0.13 0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.32 2kd3 s ARG 132 CO 0.02 -0.06 0.40 -1.59 -0.81 0.00 0.00 175.30 173.26 2kd3 s LYS 133 N 0.34 3.71 -0.12 5.12 -2.85 -1.26 -2.01 119.74 122.68 2kd3 s LYS 133 Ca -0.02 0.10 -0.06 0.00 -1.00 0.00 0.00 55.97 54.99 2kd3 s LYS 133 Cb -0.03 -2.93 0.05 0.00 -2.06 0.00 0.00 37.83 32.86 2kd3 s LYS 133 CO -0.01 0.52 0.27 0.08 0.10 0.00 0.00 175.35 176.31 2kd3 s VAL 134 N -1.50 -0.12 -0.25 1.79 1.01 0.66 -4.96 120.40 117.03 2kd3 s VAL 134 Ca 0.36 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2kd3 s VAL 134 Cb -0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2kd3 s VAL 134 CO 0.20 0.07 0.47 0.00 0.00 0.00 0.00 175.10 175.84 2kd3 s ARG 135 N 1.53 4.09 -0.16 2.72 1.70 -1.25 0.38 118.95 127.96 2kd3 s ARG 135 Ca -0.07 0.27 -0.01 0.00 -0.47 0.00 0.00 55.73 55.45 2kd3 s ARG 135 Cb -0.11 -3.63 -0.01 0.00 -0.57 0.00 0.00 34.95 30.64 2kd3 s ARG 135 CO -0.09 -0.27 -0.12 -0.51 -1.08 0.00 0.00 175.30 173.22 2kd3 s LEU 136 N 2.05 2.67 -0.79 -1.89 2.01 0.74 -4.76 118.68 118.72 2kd3 s LEU 136 Ca 0.20 -0.39 -0.19 0.00 0.01 0.00 0.00 54.13 53.76 2kd3 s LEU 136 Cb -0.16 -1.62 -0.18 0.00 0.01 0.00 0.00 46.19 44.25 2kd3 s LEU 136 CO 0.09 0.10 2.00 1.33 1.01 0.00 0.00 176.35 180.88 2kd3 n VAL 137 N 3.94 0.00 0.31 -1.59 0.24 -1.26 0.27 118.33 120.24 2kd3 n VAL 137 Ca -0.18 -0.31 0.20 0.00 -2.04 0.00 0.00 64.34 62.01 2kd3 n VAL 137 Cb 0.52 -1.34 0.96 0.00 -1.47 0.00 0.00 33.84 32.51 2kd3 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 h ALA 138 N 11.38 1.02 -1.97 2.33 0.00 -1.73 -2.44 119.26 127.84 2kd3 h ALA 138 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2kd3 h ALA 138 Cb 1.02 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 2kd3 h ALA 138 CO 1.09 0.01 0.01 0.45 0.00 0.00 0.00 179.25 180.80 2kd3 s SER 139 N -5.45 -0.97 0.09 0.00 0.15 -1.20 -4.84 113.70 101.48 2kd3 s SER 139 Ca -0.02 1.50 0.03 0.00 0.70 0.00 0.00 55.95 58.15 2kd3 s SER 139 Cb 0.11 1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 65.95 2kd3 s SER 139 CO 0.48 -0.23 -0.08 0.00 1.20 0.00 0.00 173.24 174.61 2kd3 s LYS 141 N -2.98 1.00 -0.71 0.00 1.02 -1.24 -4.92 119.74 111.91 2kd3 s LYS 141 Ca 0.05 -1.24 -0.25 0.00 0.02 0.00 0.00 55.97 54.56 2kd3 s LYS 141 Cb -0.01 -0.84 0.05 0.00 -0.52 0.00 0.00 37.83 36.51 2kd3 s LYS 141 CO -0.02 0.16 1.14 0.00 -0.92 0.00 0.00 175.35 175.71 2kd3 s LYS 143 N 4.92 0.39 0.00 0.00 2.47 -1.25 -4.92 119.74 121.35 2kd3 s LYS 143 Ca 0.29 -0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.24 2kd3 s LYS 143 Cb -0.12 -0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.04 2kd3 s LYS 143 CO 0.12 0.04 0.00 0.54 0.16 0.00 0.00 175.35 176.21