#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 0.94 0.01 4.39 8.00 -1.26 -4.01 116.55 124.61 2kd3 n ASP 49 Ca 0.00 -2.05 -0.02 0.00 0.71 0.00 0.00 54.79 53.43 2kd3 n ASP 49 Cb 0.00 -0.27 0.23 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.47 1.24 -0.01 2.53 2.07 -1.92 -2.51 116.25 118.13 2kd3 h VAL 50 Ca 0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 2kd3 h VAL 50 Cb 0.36 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2kd3 h VAL 50 CO 0.03 0.36 0.00 -1.20 0.02 0.00 0.00 177.57 176.77 2kd3 n SER 51 N -4.17 0.33 -0.09 0.57 7.64 -1.25 -3.50 113.62 113.14 2kd3 n SER 51 Ca 0.00 -1.13 -0.07 0.00 1.01 0.00 0.00 58.87 58.68 2kd3 n SER 51 Cb 0.35 -0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.51 0.77 0.00 1.43 5.08 -1.73 -3.39 114.58 117.25 2kd3 h GLU 52 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2kd3 h GLU 52 Cb 0.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2kd3 h GLU 52 CO 0.00 0.90 0.00 0.66 -1.00 0.00 0.00 179.01 179.57 2kd3 n TYR 53 N -4.13 0.00 -2.72 4.33 4.02 -1.24 -5.09 117.16 112.32 2kd3 n TYR 53 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2kd3 n TYR 53 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 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 -2.25 0.00 -3.77 7.72 2.88 -1.23 -4.78 113.62 112.20 2kd3 n SER 54 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 2kd3 n SER 54 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 -4.25 3.80 -0.80 0.00 3.00 -1.26 -4.34 116.66 112.81 2kd3 n ARG 56 Ca -0.22 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.40 2kd3 n ARG 56 Cb 0.65 0.00 -0.03 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 0.00 2.19 -3.64 5.56 1.02 -1.26 -4.87 120.64 119.64 2kd3 n GLU 57 Ca 0.00 -1.45 -0.37 0.00 -0.02 0.00 0.00 57.16 55.33 2kd3 n GLU 57 Cb 0.00 -2.41 -0.07 0.00 -0.02 0.00 0.00 31.44 28.94 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 0.09 4.35 -0.16 -4.62 0.05 -1.26 -5.08 118.68 112.05 2kd3 s LEU 58 Ca 0.44 0.60 -0.09 0.00 0.05 0.00 0.00 54.13 55.13 2kd3 s LEU 58 Cb 0.13 -2.32 0.05 0.00 -2.05 0.00 0.00 46.19 42.00 2kd3 s LEU 58 CO -0.03 0.26 0.38 -1.00 -0.55 0.00 0.00 176.35 175.41 2kd3 s HIS 59 N -0.42 -0.54 0.11 3.48 3.76 -1.26 -4.50 115.29 115.92 2kd3 s HIS 59 Ca 0.17 1.17 -0.05 0.00 -0.15 0.00 0.00 55.06 56.21 2kd3 s HIS 59 Cb -0.14 0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 2kd3 s HIS 59 CO 0.06 -0.31 0.13 1.52 -0.85 0.00 0.00 174.74 175.29 2kd3 s TYR 60 N 1.25 0.52 -0.64 1.40 1.13 -1.16 -5.00 117.35 114.84 2kd3 s TYR 60 Ca -0.09 -0.94 -0.08 0.00 -1.41 0.00 0.00 57.07 54.56 2kd3 s TYR 60 Cb -0.08 -0.26 0.17 0.00 -1.10 0.00 0.00 41.96 40.69 2kd3 s TYR 60 CO -0.11 -0.55 0.51 0.95 -2.51 0.00 0.00 175.55 173.84 2kd3 s THR 61 N -3.96 4.44 -0.08 -3.49 -4.23 -1.26 -3.29 115.64 103.76 2kd3 s THR 61 Ca 0.15 -2.45 0.02 0.00 -1.18 0.00 0.00 61.69 58.22 2kd3 s THR 61 Cb 0.06 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 70.07 2kd3 s THR 61 CO -0.04 -0.89 -0.13 -0.13 -0.54 0.00 0.00 174.62 172.89 2kd3 s ARG 62 N 0.44 1.92 0.00 3.99 0.52 -1.26 -5.02 118.95 119.54 2kd3 s ARG 62 Ca 0.14 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2kd3 s ARG 62 Cb -0.19 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.66 2kd3 s ARG 62 CO -0.04 -0.02 0.00 1.19 0.02 0.00 0.00 175.30 176.45 2kd3 n PHE 63 N 4.02 0.00 -3.64 -0.53 3.01 -1.26 -4.79 117.46 114.27 2kd3 n PHE 63 Ca -0.20 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.17 2kd3 n PHE 63 Cb 0.51 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.92 2kd3 n PHE 63 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 2kd3 s LEU 64 N -2.22 -0.55 -0.01 4.37 2.34 -1.26 -4.86 118.68 116.49 2kd3 s LEU 64 Ca 0.00 1.00 0.04 0.00 0.06 0.00 0.00 54.13 55.23 2kd3 s LEU 64 Cb 0.00 1.98 -0.01 0.00 -0.56 0.00 0.00 46.19 47.60 2kd3 s LEU 64 CO 0.00 -0.17 -0.13 0.42 -1.06 0.00 0.00 176.35 175.41 2kd3 s THR 65 N 0.62 1.04 0.00 5.48 -4.23 -1.26 -1.06 115.64 116.23 2kd3 s THR 65 Ca -0.01 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2kd3 s THR 65 Cb -0.05 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2kd3 s THR 65 CO -0.08 0.29 0.00 -0.67 -0.54 0.00 0.00 174.62 173.62 2kd3 n ASP 66 N 2.75 0.00 -2.30 3.99 2.03 -1.03 -5.03 116.55 116.96 2kd3 n ASP 66 Ca -0.14 -0.43 -0.23 0.00 0.52 0.00 0.00 54.79 54.51 2kd3 n ASP 66 Cb 0.55 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.40 0.00 0.27 0.00 -1.26 -2.74 105.19 100.05 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 0.69 0.00 -3.59 1.61 -0.02 -1.26 -4.53 135.00 127.90 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 0.20 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.67 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 0.93 0.54 0.00 0.52 0.26 -2.47 118.95 115.27 2kd3 s ARG 70 Ca 0.06 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 2kd3 s ARG 70 Cb -0.02 0.44 -0.00 0.00 0.52 0.00 0.00 34.95 35.89 2kd3 s ARG 70 CO -0.05 -0.26 0.82 -1.54 0.02 0.00 0.00 175.30 174.30 2kd3 s SER 71 N -0.91 5.74 0.00 0.23 1.04 -0.22 0.13 113.70 119.71 2kd3 s SER 71 Ca -0.09 0.63 0.09 0.00 0.48 0.00 0.00 55.95 57.06 2kd3 s SER 71 Cb -0.02 -1.73 0.15 0.00 0.10 0.00 0.00 66.02 64.52 2kd3 s SER 71 CO 0.07 -0.90 0.98 0.00 0.98 0.00 0.00 173.24 174.37 2kd3 n ALA 72 N -2.41 2.71 -1.78 5.32 0.00 -1.26 -4.54 120.51 118.55 2kd3 n ALA 72 Ca 0.03 -1.21 -0.37 0.00 0.00 0.00 0.00 53.44 51.89 2kd3 n ALA 72 Cb 0.57 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 4.08 -0.13 0.00 3.01 -1.26 -4.92 119.74 120.52 2kd3 s LYS 73 Ca 0.12 1.61 -0.38 0.00 -1.01 0.00 0.00 55.97 56.31 2kd3 s LYS 73 Cb 0.14 -2.55 -0.15 0.00 -1.01 0.00 0.00 37.83 34.26 2kd3 s LYS 73 CO -0.06 -0.23 1.67 -2.30 0.51 0.00 0.00 175.35 174.94 2kd3 n PRO 74 N -0.10 1.41 -4.03 -1.68 -0.02 -1.26 -4.81 135.00 124.51 2kd3 n PRO 74 Ca 0.05 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.92 2kd3 n PRO 74 Cb 0.49 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.62 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 2.77 0.30 -0.20 -1.45 -7.23 -1.26 -5.10 120.40 108.23 2kd3 s VAL 75 Ca 0.93 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 2kd3 s VAL 75 Cb -0.95 -0.34 0.04 0.00 0.56 0.00 0.00 36.38 35.69 2kd3 s VAL 75 CO 0.57 -0.21 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.14 2kd3 s THR 76 N -0.81 1.76 0.21 5.32 2.01 -1.26 -4.49 115.64 118.38 2kd3 s THR 76 Ca -0.06 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 60.94 2kd3 s THR 76 Cb -0.06 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 2kd3 s THR 76 CO -0.00 0.22 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.49 2kd3 s GLU 77 N 1.35 1.28 -0.06 4.92 2.02 -1.21 -4.69 118.70 122.32 2kd3 s GLU 77 Ca -0.01 -1.62 0.05 0.00 0.02 0.00 0.00 54.97 53.42 2kd3 s GLU 77 Cb -0.16 -0.72 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 2kd3 s GLU 77 CO -0.09 -0.01 -0.22 -0.51 0.02 0.00 0.00 175.26 174.46 2kd3 s LEU 78 N -3.28 2.28 -1.01 1.80 1.02 -0.97 -3.01 118.68 115.50 2kd3 s LEU 78 Ca 0.25 -0.42 -0.08 0.00 0.02 0.00 0.00 54.13 53.90 2kd3 s LEU 78 Cb 0.04 -1.43 0.25 0.00 0.02 0.00 0.00 46.19 45.07 2kd3 s LEU 78 CO 0.07 0.27 0.97 0.68 0.02 0.00 0.00 176.35 178.35 2kd3 s VAL 79 N -0.32 5.49 -0.46 -1.59 -7.23 -1.26 -4.78 120.40 110.25 2kd3 s VAL 79 Ca 0.02 -3.39 -0.20 0.00 -1.81 0.00 0.00 61.98 56.60 2kd3 s VAL 79 Cb -0.13 -4.33 0.03 0.00 0.56 0.00 0.00 36.38 32.51 2kd3 s VAL 79 CO 0.02 -1.13 0.60 0.00 -0.31 0.00 0.00 175.10 174.28 2kd3 s SER 81 N 2.19 0.36 0.00 0.00 0.01 -1.26 -4.58 113.70 110.42 2kd3 s SER 81 Ca 0.18 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2kd3 s SER 81 Cb -0.16 1.12 0.00 0.00 0.21 0.00 0.00 66.02 67.18 2kd3 s SER 81 CO 0.16 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2kd3 n GLY 82 N 5.33 3.86 3.21 3.44 0.00 -1.26 -4.87 105.19 114.90 2kd3 n GLY 82 Ca 0.01 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 1.87 1.59 0.12 1.61 -0.21 -1.26 -2.06 119.66 121.31 2kd3 s GLN 83 Ca 0.00 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.71 2kd3 s GLN 83 Cb 0.00 -1.55 -0.04 0.00 1.00 0.00 0.00 33.01 32.42 2kd3 s GLN 83 CO 0.00 0.42 -0.05 0.00 -2.12 0.00 0.00 175.29 173.55 2kd3 n GLY 85 N 0.44 4.52 3.77 0.00 0.00 -1.26 -4.40 105.19 108.26 2kd3 n GLY 85 Ca -0.12 -2.34 -0.40 0.00 0.00 0.00 0.00 46.02 43.17 2kd3 n GLY 85 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kd3 s PRO 86 N -2.63 3.74 0.00 1.61 0.02 -1.26 -4.87 135.00 131.61 2kd3 s PRO 86 Ca 0.42 2.32 0.14 0.00 0.02 0.00 0.00 61.00 63.90 2kd3 s PRO 86 Cb 0.25 -2.66 0.83 0.00 0.02 0.00 0.00 34.50 32.95 2kd3 s PRO 86 CO -0.09 -0.74 1.32 0.00 -0.33 0.00 0.00 177.00 177.16 2kd3 n ALA 87 N -0.15 2.27 -2.98 -1.55 0.00 -1.26 -4.54 120.51 112.30 2kd3 n ALA 87 Ca 0.05 -0.09 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 2kd3 n ALA 87 Cb 0.43 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 3.42 -0.17 0.00 1.81 -1.26 -5.01 118.95 115.74 2kd3 s ARG 88 Ca 0.21 -1.58 -0.09 0.00 -1.72 0.00 0.00 55.73 52.55 2kd3 s ARG 88 Cb 0.10 -4.65 -0.05 0.00 -0.45 0.00 0.00 34.95 29.90 2kd3 s ARG 88 CO 0.16 -1.70 0.13 -0.51 -0.68 0.00 0.00 175.30 172.70 2kd3 s LEU 89 N 2.72 4.24 -0.61 2.53 2.01 -1.26 -4.95 118.68 123.36 2kd3 s LEU 89 Ca 0.26 0.30 -0.04 0.00 0.01 0.00 0.00 54.13 54.66 2kd3 s LEU 89 Cb -0.10 -2.08 0.16 0.00 0.01 0.00 0.00 46.19 44.18 2kd3 s LEU 89 CO -0.03 0.25 0.44 -0.76 1.01 0.00 0.00 176.35 177.26 2kd3 s LEU 90 N -0.08 5.39 -0.95 1.79 2.01 -1.26 -5.03 118.68 120.55 2kd3 s LEU 90 Ca 0.10 -2.72 -0.24 0.00 0.01 0.00 0.00 54.13 51.28 2kd3 s LEU 90 Cb -0.11 -1.89 -0.05 0.00 0.01 0.00 0.00 46.19 44.15 2kd3 s LEU 90 CO -0.00 -0.42 1.93 -2.16 1.01 0.00 0.00 176.35 176.71 2kd3 s PRO 91 N 0.14 2.59 -0.38 1.29 0.04 -1.26 -4.78 135.00 132.63 2kd3 s PRO 91 Ca 0.16 -0.45 0.10 0.00 0.04 0.00 0.00 61.00 60.84 2kd3 s PRO 91 Cb -0.20 -5.10 0.29 0.00 0.04 0.00 0.00 34.50 29.53 2kd3 s PRO 91 CO -0.04 -3.42 0.61 0.09 0.04 0.00 0.00 177.00 174.28 2kd3 n ASN 92 N 13.83 0.47 0.30 6.66 3.02 -1.26 -4.94 115.26 133.35 2kd3 n ASN 92 Ca 0.41 -2.83 0.18 0.00 -0.03 0.00 0.00 54.58 52.31 2kd3 n ASN 92 Cb 0.47 -0.63 0.94 0.00 -0.61 0.00 0.00 39.78 39.95 2kd3 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kd3 h ALA 93 N 3.59 1.12 -4.04 5.41 0.00 -1.86 -3.44 119.26 120.04 2kd3 h ALA 93 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2kd3 h ALA 93 Cb 0.91 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 2kd3 h ALA 93 CO 0.48 -0.12 -0.22 -0.89 0.00 0.00 0.00 179.25 178.50 2kd3 n ILE 94 N -2.83 0.00 0.00 0.00 5.41 -1.26 0.23 119.36 120.91 2kd3 n ILE 94 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2kd3 n ILE 94 Cb 0.19 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 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 -0.50 2.11 3.56 7.39 0.00 -1.26 -4.96 105.19 111.53 2kd3 n GLY 95 Ca 0.03 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 3.81 -0.03 1.61 3.52 0.62 -5.09 118.95 123.40 2kd3 s ARG 96 Ca 0.00 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.20 2kd3 s ARG 96 Cb 0.00 -3.10 -0.00 0.00 -1.56 0.00 0.00 34.95 30.29 2kd3 s ARG 96 CO 0.00 0.21 -0.12 0.08 -0.81 0.00 0.00 175.30 174.66 2kd3 s VAL 97 N 0.50 0.99 0.00 7.11 1.01 -1.25 -4.57 120.40 124.18 2kd3 s VAL 97 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2kd3 s VAL 97 Cb -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2kd3 s VAL 97 CO 0.02 0.30 0.00 2.29 0.00 0.00 0.00 175.10 177.70 2kd3 n LYS 98 N 3.13 0.00 0.00 2.72 2.85 -1.26 -5.05 118.16 120.56 2kd3 n LYS 98 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2kd3 n LYS 98 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 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 0.00 -2.46 5.58 4.27 -1.26 -4.97 117.44 118.60 2kd3 n TRP 99 Ca 0.00 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.36 2kd3 n TRP 99 Cb 0.00 -0.01 0.12 0.00 -1.36 0.00 0.00 31.31 30.06 2kd3 n TRP 99 CO 0.00 0.00 0.00 1.67 -2.29 0.00 0.00 177.69 177.07 2kd3 s TRP 100 N -0.16 1.60 0.00 -2.67 -2.14 -1.26 -4.28 118.94 110.03 2kd3 s TRP 100 Ca 0.00 -0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.60 2kd3 s TRP 100 Cb 0.00 -3.20 0.00 0.00 -3.10 0.00 0.00 33.47 27.17 2kd3 s TRP 100 CO 0.00 -1.88 0.00 0.54 -2.66 0.00 0.00 176.95 172.95 2kd3 n ARG 101 N -3.01 0.00 -0.01 3.25 3.00 -1.26 -4.94 116.66 113.69 2kd3 n ARG 101 Ca 0.15 0.00 0.18 0.00 -0.01 0.00 0.00 57.85 58.17 2kd3 n ARG 101 Cb 0.60 0.00 0.30 0.00 0.00 0.00 0.00 32.46 33.37 2kd3 n ARG 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2kd3 h PRO 102 N 0.00 0.00 0.00 5.56 0.10 -1.99 2.08 132.00 137.75 2kd3 h PRO 102 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 2kd3 h PRO 102 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.10 2kd3 h PRO 102 CO 0.00 0.00 0.00 0.27 0.10 0.00 0.00 178.00 178.37 2kd3 n ASN 103 N -3.00 0.00 0.00 -2.05 6.94 -1.26 -4.97 115.26 110.92 2kd3 n ASN 103 Ca 0.14 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.61 2kd3 n ASN 103 Cb 1.30 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.72 2kd3 n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kd3 n GLY 104 N 0.65 0.02 3.78 4.83 0.00 0.70 -5.04 105.19 110.12 2kd3 n GLY 104 Ca 0.16 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 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 -5.30 2.21 -0.71 1.61 0.02 -1.26 -4.44 135.00 127.13 2kd3 s PRO 105 Ca 0.00 0.95 -0.26 0.00 0.02 0.00 0.00 61.00 61.70 2kd3 s PRO 105 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2kd3 s PRO 105 CO 0.00 -1.61 1.62 0.34 -0.33 0.00 0.00 177.00 177.01 2kd3 s ASP 106 N -3.60 5.68 0.27 2.53 -1.08 -1.26 -4.94 116.67 114.26 2kd3 s ASP 106 Ca 0.61 -0.16 0.09 0.00 -0.52 0.00 0.00 52.55 52.57 2kd3 s ASP 106 Cb -0.16 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.70 2kd3 s ASP 106 CO 0.56 -2.15 -0.13 -0.36 0.52 0.00 0.00 175.17 173.61 2kd3 s PHE 107 N 7.62 2.04 0.08 -5.34 0.08 -1.26 -5.04 117.98 116.16 2kd3 s PHE 107 Ca 0.54 -0.54 -0.19 0.00 0.12 0.00 0.00 56.93 56.86 2kd3 s PHE 107 Cb -0.10 -1.03 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2kd3 s PHE 107 CO 0.15 0.47 0.46 -0.98 -0.10 0.00 0.00 175.22 175.21 2kd3 s ARG 108 N -3.63 1.04 -0.02 0.44 1.70 -1.25 -2.91 118.95 114.32 2kd3 s ARG 108 Ca 0.28 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 2kd3 s ARG 108 Cb 0.00 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2kd3 s ARG 108 CO 0.12 -0.39 1.47 0.00 -1.08 0.00 0.00 175.30 175.42 2kd3 s ILE 110 N 2.86 1.77 0.77 0.00 -1.09 -1.23 -4.14 121.20 120.14 2kd3 s ILE 110 Ca 0.66 -1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 2kd3 s ILE 110 Cb -0.32 -1.51 0.06 0.00 -1.58 0.00 0.00 42.46 39.11 2kd3 s ILE 110 CO 0.26 0.31 1.22 -0.81 -1.23 0.00 0.00 174.94 174.70 2kd3 n PRO 111 N 2.02 0.39 0.07 2.79 -0.04 -1.26 -3.79 135.00 135.17 2kd3 n PRO 111 Ca -0.17 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2kd3 n PRO 111 Cb 0.53 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2kd3 n PRO 111 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kd3 n ASP 112 N -2.96 0.77 -4.23 3.54 8.00 -1.25 -4.87 116.55 115.55 2kd3 n ASP 112 Ca 0.14 0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.60 2kd3 n ASP 112 Cb 0.50 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.27 0.27 -1.24 3.52 -0.93 -5.07 118.95 114.78 2kd3 s ARG 113 Ca 0.00 -0.90 0.11 0.00 -0.13 0.00 0.00 55.73 54.81 2kd3 s ARG 113 Cb 0.00 -1.37 -0.05 0.00 -1.56 0.00 0.00 34.95 31.97 2kd3 s ARG 113 CO 0.00 0.35 -0.16 0.71 -0.81 0.00 0.00 175.30 175.38 2kd3 s TYR 114 N -0.82 2.37 -0.11 5.12 2.02 -1.26 -1.97 117.35 122.71 2kd3 s TYR 114 Ca 0.06 -0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.39 2kd3 s TYR 114 Cb -0.09 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2kd3 s TYR 114 CO 0.02 0.69 0.13 0.50 -1.57 0.00 0.00 175.55 175.32 2kd3 s ARG 115 N -3.52 3.38 -0.16 -0.62 3.52 0.70 -4.70 118.95 117.55 2kd3 s ARG 115 Ca 0.30 -0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 2kd3 s ARG 115 Cb -0.05 -3.13 -0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2kd3 s ARG 115 CO 0.16 0.76 1.00 0.00 -0.81 0.00 0.00 175.30 176.41 2kd3 s ALA 116 N -1.03 3.52 -0.11 6.12 0.00 -1.26 -1.44 121.76 127.55 2kd3 s ALA 116 Ca 0.16 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2kd3 s ALA 116 Cb -0.12 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.56 2kd3 s ALA 116 CO 0.05 -0.77 -0.15 -0.65 0.00 0.00 0.00 175.76 174.24 2kd3 s GLN 117 N 2.45 2.26 -0.40 0.00 -1.52 -0.80 -5.01 119.66 116.63 2kd3 s GLN 117 Ca 0.46 -0.57 0.01 0.00 -1.95 0.00 0.00 55.36 53.31 2kd3 s GLN 117 Cb -0.17 -1.94 0.13 0.00 -0.22 0.00 0.00 33.01 30.81 2kd3 s GLN 117 CO 0.13 -0.08 0.20 0.50 -0.25 0.00 0.00 175.29 175.79 2kd3 s ARG 118 N 1.04 1.14 0.35 2.91 3.52 -1.26 -0.54 118.95 126.10 2kd3 s ARG 118 Ca -0.05 -1.77 0.04 0.00 -0.13 0.00 0.00 55.73 53.82 2kd3 s ARG 118 Cb -0.15 -2.25 -0.07 0.00 -1.56 0.00 0.00 34.95 30.93 2kd3 s ARG 118 CO -0.03 -1.12 0.05 0.14 -0.81 0.00 0.00 175.30 173.53 2kd3 s VAL 119 N 0.68 1.35 -0.08 7.11 -7.23 -1.03 -4.95 120.40 116.25 2kd3 s VAL 119 Ca 0.16 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2kd3 s VAL 119 Cb -0.23 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2kd3 s VAL 119 CO -0.05 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 174.66 2kd3 s GLN 120 N -3.85 2.83 -0.06 4.82 -2.07 -1.25 -0.43 119.66 119.65 2kd3 s GLN 120 Ca 0.36 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 53.03 2kd3 s GLN 120 Cb 0.09 -2.60 -0.03 0.00 -1.09 0.00 0.00 33.01 29.38 2kd3 s GLN 120 CO 0.16 0.60 1.19 -0.51 -1.32 0.00 0.00 175.29 175.40 2kd3 s LEU 121 N -0.64 4.27 0.09 2.60 1.43 0.73 -4.41 118.68 122.75 2kd3 s LEU 121 Ca 0.10 1.79 -0.15 0.00 -1.03 0.00 0.00 54.13 54.84 2kd3 s LEU 121 Cb -0.11 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 2kd3 s LEU 121 CO 0.02 -0.58 0.50 -0.76 0.23 0.00 0.00 176.35 175.75 2kd3 s LEU 122 N 2.25 4.41 0.16 1.79 1.02 0.34 -2.31 118.68 126.33 2kd3 s LEU 122 Ca 0.55 1.04 0.11 0.00 0.02 0.00 0.00 54.13 55.85 2kd3 s LEU 122 Cb -0.24 -3.00 -0.04 0.00 0.02 0.00 0.00 46.19 42.93 2kd3 s LEU 122 CO 0.21 0.20 -0.23 0.00 0.02 0.00 0.00 176.35 176.54 2kd3 n PRO 124 N 0.53 0.95 -0.41 0.00 -0.02 -1.26 0.20 135.00 135.00 2kd3 n PRO 124 Ca -0.15 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2kd3 n PRO 124 Cb 0.55 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 6.49 0.74 3.11 -1.23 0.00 -1.26 -4.64 105.19 108.40 2kd3 n GLY 125 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.16 0.07 0.89 -0.02 0.00 0.55 -4.95 105.19 99.57 2kd3 n GLY 126 Ca 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 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 0.68 2.73 -2.84 4.61 0.00 -1.26 -4.89 120.51 119.54 2kd3 n ALA 127 Ca -0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2kd3 n ALA 127 Cb 0.53 0.37 -0.02 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.33 4.15 -1.58 0.00 0.00 -1.26 -5.10 120.51 113.39 2kd3 n ALA 128 Ca -0.06 -4.20 -0.39 0.00 0.00 0.00 0.00 53.44 48.79 2kd3 n ALA 128 Cb 0.39 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.19 1.03 -4.28 0.00 -0.04 -1.26 -4.95 135.00 125.31 2kd3 n PRO 129 Ca 0.30 0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 63.91 2kd3 n PRO 129 Cb 0.56 -2.02 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.28 1.11 -0.16 0.54 0.52 -0.98 -4.92 118.95 112.78 2kd3 s ARG 130 Ca 0.69 -1.17 -0.07 0.00 -0.52 0.00 0.00 55.73 54.66 2kd3 s ARG 130 Cb -0.49 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 2kd3 s ARG 130 CO 0.53 0.30 0.08 -1.54 0.02 0.00 0.00 175.30 174.69 2kd3 s SER 131 N -1.98 5.81 -0.05 0.23 1.04 -1.26 0.26 113.70 117.75 2kd3 s SER 131 Ca 0.07 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.63 2kd3 s SER 131 Cb -0.09 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 64.12 2kd3 s SER 131 CO 0.04 0.26 0.17 -0.60 0.98 0.00 0.00 173.24 174.09 2kd3 s ARG 132 N -0.14 0.24 0.07 4.02 3.52 0.42 -4.94 118.95 122.14 2kd3 s ARG 132 Ca 0.08 0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 2kd3 s ARG 132 Cb -0.12 0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 2kd3 s ARG 132 CO 0.01 -0.04 0.13 -1.59 -0.81 0.00 0.00 175.30 173.00 2kd3 s LYS 133 N -0.13 3.11 -0.17 5.12 -2.85 -1.26 -2.48 119.74 121.08 2kd3 s LYS 133 Ca -0.02 -0.58 -0.10 0.00 -1.00 0.00 0.00 55.97 54.27 2kd3 s LYS 133 Cb -0.02 -2.86 0.06 0.00 -2.06 0.00 0.00 37.83 32.95 2kd3 s LYS 133 CO 0.00 0.59 0.42 0.14 0.10 0.00 0.00 175.35 176.61 2kd3 s VAL 134 N -1.42 -0.02 -0.22 1.79 -7.23 0.30 -5.00 120.40 108.59 2kd3 s VAL 134 Ca 0.31 0.09 -0.19 0.00 -1.81 0.00 0.00 61.98 60.38 2kd3 s VAL 134 Cb -0.12 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 2kd3 s VAL 134 CO 0.24 0.04 0.55 -0.13 -0.31 0.00 0.00 175.10 175.48 2kd3 s ARG 135 N 1.38 4.16 -0.12 4.82 0.52 -1.26 -1.91 118.95 126.54 2kd3 s ARG 135 Ca -0.09 0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.59 2kd3 s ARG 135 Cb -0.08 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.80 2kd3 s ARG 135 CO -0.13 -0.24 -0.21 -0.51 0.02 0.00 0.00 175.30 174.23 2kd3 s LEU 136 N 1.94 2.02 -0.79 2.53 2.01 -0.52 -4.83 118.68 121.05 2kd3 s LEU 136 Ca 0.24 -0.55 -0.23 0.00 0.01 0.00 0.00 54.13 53.61 2kd3 s LEU 136 Cb -0.16 -1.35 -0.17 0.00 0.01 0.00 0.00 46.19 44.53 2kd3 s LEU 136 CO 0.09 0.10 2.38 1.33 1.01 0.00 0.00 176.35 181.26 2kd3 n VAL 137 N 3.89 -0.01 1.40 -1.59 0.24 -1.26 0.25 118.33 121.25 2kd3 n VAL 137 Ca -0.20 -0.53 0.15 0.00 -2.04 0.00 0.00 64.34 61.72 2kd3 n VAL 137 Cb 0.52 -1.70 0.70 0.00 -1.47 0.00 0.00 33.84 31.89 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 15.60 2.58 -3.44 2.33 0.00 -0.83 -2.30 120.51 134.45 2kd3 n ALA 138 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2kd3 n ALA 138 Cb 0.38 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.57 -1.16 0.08 0.00 0.15 -1.16 -4.93 113.70 104.10 2kd3 s SER 139 Ca 0.28 1.23 0.02 0.00 0.70 0.00 0.00 55.95 58.17 2kd3 s SER 139 Cb 0.20 2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 66.64 2kd3 s SER 139 CO 0.47 -0.24 -0.07 0.00 1.20 0.00 0.00 173.24 174.61 2kd3 s LYS 141 N -3.20 0.80 -0.72 0.00 1.02 -1.25 -4.89 119.74 111.51 2kd3 s LYS 141 Ca 0.05 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 55.09 2kd3 s LYS 141 Cb 0.01 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 2kd3 s LYS 141 CO -0.04 0.19 1.63 0.00 -0.92 0.00 0.00 175.35 176.21 2kd3 s LYS 143 N 6.42 0.64 0.00 0.00 2.47 -1.26 -4.89 119.74 123.12 2kd3 s LYS 143 Ca 0.54 -0.68 0.00 0.00 -1.56 0.00 0.00 55.97 54.27 2kd3 s LYS 143 Cb -0.09 0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.54 2kd3 s LYS 143 CO 0.14 -0.17 0.00 0.54 0.16 0.00 0.00 175.35 176.02