#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd2 s PRO 87 N 0.00 2.59 -0.05 1.61 0.04 -1.26 -4.99 135.00 132.94 2kd2 s PRO 87 Ca 0.00 1.32 0.07 0.00 0.04 0.00 0.00 61.00 62.43 2kd2 s PRO 87 Cb 0.00 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2kd2 s PRO 87 CO 0.00 -1.40 0.07 1.28 0.04 0.00 0.00 177.00 176.99 2kd2 n LEU 88 N -2.82 0.00 0.00 -3.56 4.77 -1.26 -5.04 117.00 109.10 2kd2 n LEU 88 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2kd2 n LEU 88 Cb 0.52 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2kd2 n LEU 88 CO 0.50 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2kd2 n GLY 89 N 2.39 3.09 4.87 -0.72 0.00 -1.26 -5.05 105.19 108.52 2kd2 n GLY 89 Ca -0.08 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 44.97 2kd2 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kd2 n SER 90 N 0.47 -5.80 -4.62 1.61 7.64 -1.26 -4.90 113.62 106.76 2kd2 n SER 90 Ca 0.00 0.48 -0.25 0.00 1.01 0.00 0.00 58.87 60.11 2kd2 n SER 90 Cb 0.00 -1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 61.73 2kd2 n SER 90 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kd2 s GLU 91 N -0.75 2.04 0.71 1.43 8.01 -1.26 -5.15 118.70 123.74 2kd2 s GLU 91 Ca 0.00 -1.77 -0.07 0.00 0.01 0.00 0.00 54.97 53.14 2kd2 s GLU 91 Cb 0.00 -1.90 0.07 0.00 -4.31 0.00 0.00 34.13 27.99 2kd2 s GLU 91 CO 0.00 0.14 1.03 -0.80 0.01 0.00 0.00 175.26 175.64 2kd2 s ASN 92 N -3.70 4.75 -1.19 -0.19 0.01 -1.26 -4.45 114.94 108.91 2kd2 s ASN 92 Ca 0.34 0.43 -0.05 0.00 -0.71 0.00 0.00 52.86 52.88 2kd2 s ASN 92 Cb 0.00 -1.05 -0.02 0.00 0.41 0.00 0.00 41.25 40.59 2kd2 s ASN 92 CO 0.19 -1.64 0.84 -1.14 -1.51 0.00 0.00 177.10 173.84 2kd2 n ARG 93 N -2.95 -4.01 -2.68 -0.60 0.63 -1.26 -4.92 116.66 100.87 2kd2 n ARG 93 Ca 0.08 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 2kd2 n ARG 93 Cb 0.60 -5.35 0.05 0.00 0.45 0.00 0.00 32.46 28.22 2kd2 n ARG 93 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2kd2 n SER 94 N -3.06 1.32 -2.73 6.15 3.41 -1.26 -4.87 113.62 112.57 2kd2 n SER 94 Ca -0.20 -2.03 -0.04 0.00 -0.26 0.00 0.00 58.87 56.34 2kd2 n SER 94 Cb 0.65 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.28 2kd2 n SER 94 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kd2 n LYS 95 N -0.54 1.41 0.00 4.33 4.81 -1.26 -4.86 118.16 122.06 2kd2 n LYS 95 Ca 0.05 -2.71 0.00 0.00 -0.87 0.00 0.00 58.31 54.78 2kd2 n LYS 95 Cb 0.84 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 35.04 2kd2 n LYS 95 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2kd2 n THR 96 N -0.65 0.00 -3.64 3.15 -2.24 -1.26 -5.06 114.28 104.57 2kd2 n THR 96 Ca 0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 2kd2 n THR 96 Cb 0.83 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 2kd2 n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2kd2 s THR 97 N -1.28 -0.21 0.17 4.28 -4.23 -1.26 -2.44 115.64 110.67 2kd2 s THR 97 Ca 0.00 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 2kd2 s THR 97 Cb 0.00 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 2kd2 s THR 97 CO 0.00 0.00 0.12 -0.44 -0.54 0.00 0.00 174.62 173.77 2kd2 s SER 98 N 1.89 5.44 0.04 3.99 0.01 -0.49 -4.87 113.70 119.72 2kd2 s SER 98 Ca -0.09 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 56.94 2kd2 s SER 98 Cb -0.07 -1.40 -0.01 0.00 0.21 0.00 0.00 66.02 64.76 2kd2 s SER 98 CO -0.19 0.07 0.13 0.42 0.41 0.00 0.00 173.24 174.08 2kd2 s THR 99 N -1.76 0.13 -0.16 1.44 -4.23 -1.26 -0.13 115.64 109.67 2kd2 s THR 99 Ca 0.31 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 2kd2 s THR 99 Cb -0.10 -0.92 0.05 0.00 1.34 0.00 0.00 72.50 72.87 2kd2 s THR 99 CO 0.23 -0.57 0.41 0.26 -0.54 0.00 0.00 174.62 174.41 2kd2 s TRP 100 N -2.66 -0.54 -0.27 3.99 0.51 0.10 -2.90 118.94 117.17 2kd2 s TRP 100 Ca -0.04 1.21 -0.03 0.00 -2.12 0.00 0.00 56.10 55.11 2kd2 s TRP 100 Cb -0.01 0.22 0.02 0.00 -0.81 0.00 0.00 33.47 32.90 2kd2 s TRP 100 CO -0.05 -0.30 -0.01 0.08 -0.51 0.00 0.00 176.95 176.17 2kd2 s VAL 101 N 0.98 3.23 0.01 4.03 1.01 -1.26 -0.57 120.40 127.84 2kd2 s VAL 101 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2kd2 s VAL 101 Cb -0.06 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 2kd2 s VAL 101 CO -0.08 0.15 -0.02 -1.48 0.00 0.00 0.00 175.10 173.66 2kd2 s LEU 102 N 1.38 2.14 -0.87 3.92 2.34 -0.60 -4.92 118.68 122.07 2kd2 s LEU 102 Ca 0.01 -0.30 -0.25 0.00 0.06 0.00 0.00 54.13 53.65 2kd2 s LEU 102 Cb -0.17 0.04 0.00 0.00 -0.56 0.00 0.00 46.19 45.50 2kd2 s LEU 102 CO -0.02 -0.17 1.67 -0.60 -1.06 0.00 0.00 176.35 176.17 2kd2 s ARG 103 N -0.87 3.00 0.15 1.48 3.52 -1.26 0.24 118.95 125.21 2kd2 s ARG 103 Ca -0.09 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 55.18 2kd2 s ARG 103 Cb -0.06 -4.93 -0.04 0.00 -1.56 0.00 0.00 34.95 28.36 2kd2 s ARG 103 CO -0.01 -2.71 -0.19 -1.17 -0.81 0.00 0.00 175.30 170.41 2kd2 s LEU 104 N 7.61 2.40 -0.94 -0.88 0.20 0.88 -4.68 118.68 123.27 2kd2 s LEU 104 Ca 0.57 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.57 2kd2 s LEU 104 Cb -0.06 -0.85 0.00 0.00 -0.43 0.00 0.00 46.19 44.85 2kd2 s LEU 104 CO 0.02 -0.00 0.00 -0.67 -0.29 0.00 0.00 176.35 175.40 2kd2 n ASP 105 N 0.51 -5.13 0.00 3.68 2.03 -1.26 -1.22 116.55 115.16 2kd2 n ASP 105 Ca -0.15 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2kd2 n ASP 105 Cb 0.56 -3.40 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 2kd2 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kd2 n GLY 106 N -0.48 0.79 3.23 0.27 0.00 -1.26 -5.02 105.19 102.72 2kd2 n GLY 106 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2kd2 n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kd2 s GLU 107 N -0.38 1.38 -0.96 1.61 2.02 -0.36 -5.07 118.70 116.93 2kd2 s GLU 107 Ca 0.00 -1.76 -0.24 0.00 0.02 0.00 0.00 54.97 52.99 2kd2 s GLU 107 Cb 0.00 0.28 -0.06 0.00 0.10 0.00 0.00 34.13 34.45 2kd2 s GLU 107 CO 0.00 -0.47 1.94 -0.51 0.02 0.00 0.00 175.26 176.24 2kd2 s ASP 108 N -3.23 5.11 0.05 -0.19 1.01 -1.26 -0.09 116.67 118.07 2kd2 s ASP 108 Ca 0.40 -0.89 -0.31 0.00 0.71 0.00 0.00 52.55 52.46 2kd2 s ASP 108 Cb 0.05 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 2kd2 s ASP 108 CO 0.17 -2.82 1.37 -0.22 0.21 0.00 0.00 175.17 173.88 2kd2 s LEU 109 N 10.30 4.34 -0.29 1.23 2.96 0.14 -4.87 118.68 132.49 2kd2 s LEU 109 Ca 0.70 2.18 -0.07 0.00 -0.22 0.00 0.00 54.13 56.71 2kd2 s LEU 109 Cb -0.05 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.07 2kd2 s LEU 109 CO 0.02 -0.67 0.08 -0.60 -1.32 0.00 0.00 176.35 173.87 2kd2 s ARG 110 N 1.79 3.15 -0.11 1.98 3.52 -1.26 -1.56 118.95 126.47 2kd2 s ARG 110 Ca 0.64 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 55.39 2kd2 s ARG 110 Cb -0.33 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2kd2 s ARG 110 CO 0.28 -0.42 0.01 0.08 -0.81 0.00 0.00 175.30 174.44 2kd2 s VAL 111 N 1.52 4.34 -0.04 7.11 1.01 0.27 -3.36 120.40 131.24 2kd2 s VAL 111 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2kd2 s VAL 111 Cb -0.17 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2kd2 s VAL 111 CO 0.03 0.58 -0.02 -0.69 0.00 0.00 0.00 175.10 174.99 2kd2 s VAL 112 N -0.60 0.38 -0.40 2.92 1.01 -0.16 0.01 120.40 123.57 2kd2 s VAL 112 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2kd2 s VAL 112 Cb -0.12 -0.45 0.09 0.00 0.00 0.00 0.00 36.38 35.90 2kd2 s VAL 112 CO 0.02 0.20 0.21 -0.22 0.00 0.00 0.00 175.10 175.31 2kd2 s LEU 113 N 1.08 5.05 0.13 3.92 2.96 0.82 0.16 118.68 132.80 2kd2 s LEU 113 Ca -0.09 -1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.83 2kd2 s LEU 113 Cb -0.14 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 2kd2 s LEU 113 CO -0.01 -0.51 1.02 -0.70 -1.32 0.00 0.00 176.35 174.82 2kd2 s GLU 114 N 1.29 4.66 0.37 1.98 2.12 -0.92 -1.39 118.70 126.81 2kd2 s GLU 114 Ca 0.04 1.56 0.27 0.00 0.36 0.00 0.00 54.97 57.20 2kd2 s GLU 114 Cb -0.23 -3.34 0.99 0.00 0.26 0.00 0.00 34.13 31.82 2kd2 s GLU 114 CO -0.01 0.15 1.80 0.87 -0.54 0.00 0.00 175.26 177.54 2kd2 h LYS 115 N 5.44 0.00 -0.11 4.30 1.79 -1.83 0.26 116.57 126.42 2kd2 h LYS 115 Ca -0.43 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.08 2kd2 h LYS 115 Cb 1.21 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.80 2kd2 h LYS 115 CO 0.72 0.00 -0.33 -0.44 -1.08 0.00 0.00 179.45 178.33 2kd2 h ASP 116 N 0.00 -1.01 0.00 0.86 3.32 -1.92 -3.31 116.42 114.36 2kd2 h ASP 116 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2kd2 h ASP 116 Cb 0.56 0.42 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2kd2 h ASP 116 CO 0.00 -0.37 -0.23 0.41 -1.72 0.00 0.00 179.24 177.33 2kd2 n THR 117 N -5.41 0.53 -2.78 0.35 -1.04 -1.23 -4.99 114.28 99.71 2kd2 n THR 117 Ca -0.03 -0.62 -0.18 0.00 -2.04 0.00 0.00 64.05 61.18 2kd2 n THR 117 Cb 0.33 0.43 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 2kd2 n THR 117 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2kd2 n MET 118 N -0.38 -2.94 -2.90 -2.82 1.56 0.90 -4.94 117.12 105.60 2kd2 n MET 118 Ca 0.04 0.67 -0.30 0.00 -0.27 0.00 0.00 57.70 57.84 2kd2 n MET 118 Cb 0.60 -5.35 -0.03 0.00 2.15 0.00 0.00 33.22 30.59 2kd2 n MET 118 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2kd2 s ASP 119 N -2.33 6.50 -0.17 6.12 1.11 -1.17 -4.84 116.67 121.88 2kd2 s ASP 119 Ca 0.16 1.07 -0.07 0.00 0.18 0.00 0.00 52.55 53.89 2kd2 s ASP 119 Cb -0.08 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.58 2kd2 s ASP 119 CO 0.19 -0.38 0.04 -0.69 1.18 0.00 0.00 175.17 175.51 2kd2 s VAL 120 N -2.36 4.60 -0.19 -1.27 1.01 -1.26 -2.16 120.40 118.77 2kd2 s VAL 120 Ca 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 2kd2 s VAL 120 Cb -0.10 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2kd2 s VAL 120 CO 0.32 0.47 -0.07 0.86 0.00 0.00 0.00 175.10 176.68 2kd2 s TRP 121 N 0.33 2.92 -0.06 5.22 -0.11 0.12 -1.24 118.94 126.13 2kd2 s TRP 121 Ca 0.02 -0.87 0.03 0.00 1.22 0.00 0.00 56.10 56.49 2kd2 s TRP 121 Cb -0.13 -2.03 0.01 0.00 -1.50 0.00 0.00 33.47 29.83 2kd2 s TRP 121 CO 0.01 -0.45 -0.13 0.00 -4.62 0.00 0.00 176.95 171.75 2kd2 n ASN 123 N 3.61 -2.79 -3.66 0.00 3.02 -1.21 -0.96 115.26 113.26 2kd2 n ASN 123 Ca -0.21 -0.98 -0.28 0.00 -0.03 0.00 0.00 54.58 53.08 2kd2 n ASN 123 Cb 0.52 -3.39 -0.00 0.00 -0.61 0.00 0.00 39.78 36.30 2kd2 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kd2 n GLY 124 N -1.77 -0.48 3.24 7.41 0.00 -1.26 -4.94 105.19 107.39 2kd2 n GLY 124 Ca -0.21 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2kd2 n GLY 124 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kd2 s GLN 125 N -6.34 1.06 0.47 1.61 -0.21 -0.13 -5.17 119.66 110.95 2kd2 s GLN 125 Ca 0.53 -1.34 -0.08 0.00 0.02 0.00 0.00 55.36 54.49 2kd2 s GLN 125 Cb -0.28 0.31 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 2kd2 s GLN 125 CO 0.66 -0.35 0.81 0.21 -2.12 0.00 0.00 175.29 174.50 2kd2 s LYS 126 N -4.02 3.64 0.32 2.91 2.36 -1.26 -0.88 119.74 122.81 2kd2 s LYS 126 Ca 0.22 0.38 0.06 0.00 -2.55 0.00 0.00 55.97 54.08 2kd2 s LYS 126 Cb 0.06 -2.34 -0.06 0.00 -1.05 0.00 0.00 37.83 34.43 2kd2 s LYS 126 CO 0.02 -0.18 -0.02 -1.64 1.55 0.00 0.00 175.35 175.08 2kd2 s MET 127 N -4.44 1.67 -0.29 4.03 -1.94 -0.37 -4.73 119.30 113.22 2kd2 s MET 127 Ca 0.50 -1.89 0.03 0.00 -1.71 0.00 0.00 55.69 52.62 2kd2 s MET 127 Cb -0.10 -1.22 0.07 0.00 2.01 0.00 0.00 34.83 35.59 2kd2 s MET 127 CO 0.41 -0.02 -0.04 -1.21 -0.01 0.00 0.00 175.02 174.14 2kd2 s GLU 128 N -3.75 2.02 0.36 2.03 2.02 -1.26 -4.68 118.70 115.43 2kd2 s GLU 128 Ca 0.33 -1.52 0.02 0.00 0.02 0.00 0.00 54.97 53.82 2kd2 s GLU 128 Cb 0.06 -3.04 0.07 0.00 0.10 0.00 0.00 34.13 31.31 2kd2 s GLU 128 CO 0.14 -0.71 0.49 0.25 0.02 0.00 0.00 175.26 175.46 2kd2 n THR 129 N 4.40 0.00 -0.07 3.63 -2.24 -1.26 -3.88 114.28 114.86 2kd2 n THR 129 Ca -0.08 -0.94 -0.07 0.00 -2.27 0.00 0.00 64.05 60.69 2kd2 n THR 129 Cb 0.42 -0.94 -0.12 0.00 -2.10 0.00 0.00 70.33 67.59 2kd2 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kd2 n ALA 130 N -2.81 1.66 -3.48 6.98 0.00 -0.35 -4.81 120.51 117.70 2kd2 n ALA 130 Ca -0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.14 2kd2 n ALA 130 Cb 0.32 -0.10 0.07 0.00 0.00 0.00 0.00 19.45 19.74 2kd2 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kd2 n GLY 131 N 2.02 -0.40 3.76 0.00 0.00 -1.26 -4.92 105.19 104.39 2kd2 n GLY 131 Ca -0.24 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2kd2 n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kd2 s GLU 132 N -6.18 4.51 -0.18 1.61 2.12 -1.05 -4.90 118.70 114.62 2kd2 s GLU 132 Ca 0.53 1.96 -0.04 0.00 0.36 0.00 0.00 54.97 57.78 2kd2 s GLU 132 Cb -0.23 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 2kd2 s GLU 132 CO 0.65 0.00 -0.03 -0.59 -0.54 0.00 0.00 175.26 174.75 2kd2 s PHE 133 N -0.87 2.99 0.49 5.30 -0.71 -1.26 -1.25 117.98 122.67 2kd2 s PHE 133 Ca 0.48 -0.53 0.06 0.00 -1.04 0.00 0.00 56.93 55.90 2kd2 s PHE 133 Cb -0.35 -2.03 0.06 0.00 -1.21 0.00 0.00 43.02 39.49 2kd2 s PHE 133 CO 0.44 -0.25 0.50 1.33 -1.34 0.00 0.00 175.22 175.90 2kd2 n VAL 134 N 4.09 0.00 -0.07 -2.49 0.24 -0.94 -4.99 118.33 114.18 2kd2 n VAL 134 Ca -0.17 -1.79 0.23 0.00 -2.04 0.00 0.00 64.34 60.56 2kd2 n VAL 134 Cb 0.52 -0.30 0.69 0.00 -1.47 0.00 0.00 33.84 33.27 2kd2 n VAL 134 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2kd2 h ASP 135 N 0.36 0.03 -0.97 -1.34 3.32 -2.04 -3.35 116.42 112.43 2kd2 h ASP 135 Ca -0.27 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 2kd2 h ASP 135 Cb 1.09 -0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.45 2kd2 h ASP 135 CO 0.41 0.02 -0.44 1.51 -1.72 0.00 0.00 179.24 179.01 2kd2 s ASP 136 N -6.01 -1.48 0.00 6.45 -4.77 -1.26 -5.15 116.67 104.46 2kd2 s ASP 136 Ca -0.05 -0.90 0.00 0.00 -3.30 0.00 0.00 52.55 48.30 2kd2 s ASP 136 Cb 0.20 1.90 0.00 0.00 -1.09 0.00 0.00 42.92 43.93 2kd2 s ASP 136 CO 0.75 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 177.08 2kd2 n GLY 137 N 4.16 0.95 2.88 2.12 0.00 -1.26 -4.64 105.19 109.42 2kd2 n GLY 137 Ca 0.12 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 2kd2 n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kd2 s THR 138 N -1.07 0.45 -0.42 2.61 2.01 -1.09 -2.21 115.64 115.91 2kd2 s THR 138 Ca 0.00 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 2kd2 s THR 138 Cb 0.00 -0.48 0.09 0.00 0.01 0.00 0.00 72.50 72.12 2kd2 s THR 138 CO 0.00 0.20 0.25 -1.61 -0.69 0.00 0.00 174.62 172.77 2kd2 s GLU 139 N 0.82 2.48 -0.46 4.92 2.02 -0.38 -1.30 118.70 126.80 2kd2 s GLU 139 Ca -0.10 -1.55 -0.27 0.00 0.02 0.00 0.00 54.97 53.07 2kd2 s GLU 139 Cb -0.13 -3.74 0.03 0.00 0.10 0.00 0.00 34.13 30.39 2kd2 s GLU 139 CO -0.00 -0.99 1.00 0.95 0.02 0.00 0.00 175.26 176.24 2kd2 s THR 140 N 1.36 4.38 -0.42 3.63 -4.23 -0.87 -2.54 115.64 116.95 2kd2 s THR 140 Ca 0.04 0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 61.40 2kd2 s THR 140 Cb -0.23 -4.49 0.07 0.00 1.34 0.00 0.00 72.50 69.19 2kd2 s THR 140 CO 0.00 -0.88 0.28 -1.00 -0.54 0.00 0.00 174.62 172.48 2kd2 s HIS 141 N 4.00 3.32 -0.05 3.99 3.76 -1.26 -0.92 115.29 128.11 2kd2 s HIS 141 Ca 0.41 -1.39 0.05 0.00 -0.15 0.00 0.00 55.06 53.98 2kd2 s HIS 141 Cb -0.09 -2.96 -0.00 0.00 1.11 0.00 0.00 32.58 30.64 2kd2 s HIS 141 CO 0.28 -0.83 -0.20 -0.59 -0.85 0.00 0.00 174.74 172.55 2kd2 s PHE 142 N 1.47 1.99 0.24 1.40 -0.12 -1.14 -1.21 117.98 120.61 2kd2 s PHE 142 Ca 0.03 -0.61 -0.30 0.00 -0.05 0.00 0.00 56.93 56.00 2kd2 s PHE 142 Cb -0.23 -1.33 -0.09 0.00 -0.63 0.00 0.00 43.02 40.74 2kd2 s PHE 142 CO 0.03 -0.21 1.00 -1.54 -0.05 0.00 0.00 175.22 174.46 2kd2 s SER 143 N 0.04 7.49 -0.24 1.98 1.04 -1.25 -3.53 113.70 119.22 2kd2 s SER 143 Ca -0.06 2.06 -0.02 0.00 0.48 0.00 0.00 55.95 58.41 2kd2 s SER 143 Cb -0.13 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.45 2kd2 s SER 143 CO 0.03 0.02 0.05 -0.69 0.98 0.00 0.00 173.24 173.64 2kd2 s VAL 144 N -1.07 0.66 0.00 5.02 1.01 -1.24 -4.85 120.40 119.93 2kd2 s VAL 144 Ca 0.43 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2kd2 s VAL 144 Cb -0.28 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2kd2 s VAL 144 CO 0.35 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2kd2 n GLY 145 N 4.97 2.86 1.23 4.51 0.00 -1.26 -0.43 105.19 117.07 2kd2 n GLY 145 Ca -0.07 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2kd2 n GLY 145 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kd2 n ASN 146 N 7.63 3.21 -1.76 1.61 4.05 -1.26 -4.99 115.26 123.74 2kd2 n ASN 146 Ca 0.00 -3.48 0.00 0.00 0.45 0.00 0.00 54.58 51.55 2kd2 n ASN 146 Cb 0.00 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.38 2kd2 n ASN 146 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2kd2 n HIS 147 N -0.87 0.00 -3.38 1.20 8.25 0.42 -5.12 115.22 115.72 2kd2 n HIS 147 Ca 0.33 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.52 2kd2 n HIS 147 Cb 1.08 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 32.09 2kd2 n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kd2 s ASP 148 N -0.96 1.52 0.35 0.41 1.11 -1.26 -3.73 116.67 114.11 2kd2 s ASP 148 Ca 0.00 -2.86 -0.04 0.00 0.18 0.00 0.00 52.55 49.83 2kd2 s ASP 148 Cb 0.00 -0.32 -0.04 0.00 1.07 0.00 0.00 42.92 43.62 2kd2 s ASP 148 CO 0.00 -0.19 0.61 0.00 1.18 0.00 0.00 175.17 176.77 2kd2 s TYR 150 N -2.30 -0.74 -0.39 0.00 1.13 -0.46 -2.87 117.35 111.71 2kd2 s TYR 150 Ca 0.44 1.65 -0.16 0.00 -1.41 0.00 0.00 57.07 57.58 2kd2 s TYR 150 Cb -0.10 0.31 0.01 0.00 -1.10 0.00 0.00 41.96 41.08 2kd2 s TYR 150 CO 0.35 -0.45 0.39 0.42 -2.51 0.00 0.00 175.55 173.74 2kd2 s ILE 151 N -0.15 5.15 -0.66 -3.49 1.01 -0.10 -0.83 121.20 122.13 2kd2 s ILE 151 Ca -0.04 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 2kd2 s ILE 151 Cb -0.03 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.52 2kd2 s ILE 151 CO 0.04 -0.30 1.24 -0.75 0.00 0.00 0.00 174.94 175.17 2kd2 s LYS 152 N 2.01 3.34 0.01 2.79 2.20 0.94 -2.04 119.74 128.99 2kd2 s LYS 152 Ca 0.10 -0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.59 2kd2 s LYS 152 Cb -0.17 -4.10 -0.05 0.00 -1.51 0.00 0.00 37.83 31.99 2kd2 s LYS 152 CO 0.12 -1.93 0.35 0.00 -0.36 0.00 0.00 175.35 173.53 2kd2 s ALA 153 N 5.37 3.75 -0.04 3.13 0.00 -0.42 -0.08 121.76 133.47 2kd2 s ALA 153 Ca 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2kd2 s ALA 153 Cb -0.08 -2.25 0.03 0.00 0.00 0.00 0.00 23.12 20.82 2kd2 s ALA 153 CO 0.20 0.55 0.03 0.08 0.00 0.00 0.00 175.76 176.62 2kd2 s VAL 154 N -1.20 0.04 -0.12 0.00 1.01 -0.12 -2.68 120.40 117.33 2kd2 s VAL 154 Ca 0.26 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 2kd2 s VAL 154 Cb -0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 2kd2 s VAL 154 CO 0.14 0.16 0.31 -0.94 0.00 0.00 0.00 175.10 174.77 2kd2 s SER 155 N 1.62 6.52 -0.03 3.32 1.04 -1.26 -1.19 113.70 123.71 2kd2 s SER 155 Ca -0.02 0.61 0.02 0.00 0.48 0.00 0.00 55.95 57.04 2kd2 s SER 155 Cb -0.13 -2.19 0.01 0.00 0.10 0.00 0.00 66.02 63.82 2kd2 s SER 155 CO -0.03 0.17 -0.06 -0.44 0.98 0.00 0.00 173.24 173.86 2kd2 s SER 156 N 0.01 1.00 0.00 7.02 0.01 0.61 -4.87 113.70 117.48 2kd2 s SER 156 Ca 0.18 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2kd2 s SER 156 Cb -0.14 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2kd2 s SER 156 CO 0.06 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2kd2 n GLY 157 N 3.62 -0.98 3.71 3.44 0.00 -1.26 -0.84 105.19 112.88 2kd2 n GLY 157 Ca -0.21 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 2kd2 n GLY 157 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kd2 s LYS 158 N -0.63 4.57 -1.45 1.61 2.36 -1.26 -3.65 119.74 121.29 2kd2 s LYS 158 Ca 0.00 1.43 -0.09 0.00 -2.55 0.00 0.00 55.97 54.76 2kd2 s LYS 158 Cb 0.00 -3.45 0.05 0.00 -1.05 0.00 0.00 37.83 33.39 2kd2 s LYS 158 CO 0.00 -0.02 0.93 0.54 1.55 0.00 0.00 175.35 178.34 2kd2 n ARG 159 N 3.77 -5.65 -3.67 4.03 5.12 -1.26 -1.73 116.66 117.27 2kd2 n ARG 159 Ca 0.06 0.63 -0.22 0.00 -1.93 0.00 0.00 57.85 56.39 2kd2 n ARG 159 Cb 0.51 -5.45 0.05 0.00 -1.16 0.00 0.00 32.46 26.40 2kd2 n ARG 159 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2kd2 n LYS 160 N -4.60 -5.55 0.03 5.56 5.02 -1.24 -4.92 118.16 112.46 2kd2 n LYS 160 Ca -0.06 0.68 -0.03 0.00 -2.02 0.00 0.00 58.31 56.88 2kd2 n LYS 160 Cb 0.57 -5.41 -0.02 0.00 -0.02 0.00 0.00 35.03 30.16 2kd2 n LYS 160 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kd2 h GLU 161 N -1.96 -0.13 -5.16 1.97 4.81 -1.39 -3.41 114.58 109.31 2kd2 h GLU 161 Ca -0.60 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 57.99 2kd2 h GLU 161 Cb 1.36 0.03 -0.25 0.00 0.63 0.00 0.00 28.75 30.52 2kd2 h GLU 161 CO 0.56 -0.08 -0.70 0.20 -0.73 0.00 0.00 179.01 178.26 2kd2 s GLY 162 N -1.19 1.65 0.02 1.92 0.00 -0.02 -4.99 107.32 104.71 2kd2 s GLY 162 Ca -0.03 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 43.76 2kd2 s GLY 162 CO 0.10 0.14 -0.15 -0.42 0.00 0.00 0.00 173.10 172.77 2kd2 s ILE 163 N 0.88 3.00 -0.06 0.90 1.01 -1.26 -0.28 121.20 125.38 2kd2 s ILE 163 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.63 2kd2 s ILE 163 Cb -0.15 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2kd2 s ILE 163 CO 0.01 0.40 -0.07 -0.63 0.00 0.00 0.00 174.94 174.65 2kd2 s ILE 164 N -0.90 0.76 -0.10 2.92 1.01 -0.33 -4.82 121.20 119.73 2kd2 s ILE 164 Ca 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 2kd2 s ILE 164 Cb -0.11 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2kd2 s ILE 164 CO 0.05 0.29 0.08 -1.00 0.00 0.00 0.00 174.94 174.36 2kd2 s HIS 165 N 1.07 3.42 -0.25 3.97 3.76 -1.26 -0.95 115.29 125.05 2kd2 s HIS 165 Ca -0.08 0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 55.21 2kd2 s HIS 165 Cb -0.14 -1.88 0.07 0.00 1.11 0.00 0.00 32.58 31.74 2kd2 s HIS 165 CO -0.01 0.63 0.04 0.95 -0.85 0.00 0.00 174.74 175.50 2kd2 s THR 166 N -0.97 0.91 0.27 1.30 -4.23 0.88 -4.95 115.64 108.84 2kd2 s THR 166 Ca 0.14 -1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 2kd2 s THR 166 Cb -0.12 -1.45 -0.10 0.00 1.34 0.00 0.00 72.50 72.17 2kd2 s THR 166 CO 0.03 -0.35 1.37 -0.22 -0.54 0.00 0.00 174.62 174.91 2kd2 s LEU 167 N 1.65 4.41 -0.03 4.79 2.96 -1.26 -0.04 118.68 131.16 2kd2 s LEU 167 Ca 0.02 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 2kd2 s LEU 167 Cb -0.18 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.91 2kd2 s LEU 167 CO -0.13 -0.61 0.00 -0.63 -1.32 0.00 0.00 176.35 173.66 2kd2 s ILE 168 N -0.37 0.17 -0.16 6.68 1.01 -0.01 -0.77 121.20 127.75 2kd2 s ILE 168 Ca 0.55 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.29 2kd2 s ILE 168 Cb -0.40 -0.27 0.03 0.00 0.01 0.00 0.00 42.46 41.83 2kd2 s ILE 168 CO 0.46 0.14 -0.10 -0.69 0.00 0.00 0.00 174.94 174.75 2kd2 s VAL 169 N 1.02 1.38 -1.09 2.92 1.01 -0.75 -1.36 120.40 123.54 2kd2 s VAL 169 Ca -0.10 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 2kd2 s VAL 169 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2kd2 s VAL 169 CO -0.02 0.31 0.94 -0.67 0.00 0.00 0.00 175.10 175.66 2kd2 n ASP 170 N 4.81 -4.95 -3.19 3.32 -0.08 -1.26 -2.68 116.55 112.53 2kd2 n ASP 170 Ca -0.14 -0.45 -0.19 0.00 -1.51 0.00 0.00 54.79 52.49 2kd2 n ASP 170 Cb 0.49 -4.22 0.07 0.00 2.34 0.00 0.00 41.12 39.80 2kd2 n ASP 170 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2kd2 n ASN 171 N -2.29 -4.74 -3.75 1.67 2.85 -1.26 -5.01 115.26 102.72 2kd2 n ASN 171 Ca -0.04 -0.49 -0.19 0.00 -0.11 0.00 0.00 54.58 53.75 2kd2 n ASN 171 Cb 0.57 -4.50 -0.17 0.00 1.24 0.00 0.00 39.78 36.92 2kd2 n ASN 171 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2kd2 s ARG 172 N -5.87 0.20 0.52 1.20 0.52 -1.09 -5.14 118.95 109.28 2kd2 s ARG 172 Ca 0.37 0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 55.55 2kd2 s ARG 172 Cb -0.16 -0.57 -0.06 0.00 0.52 0.00 0.00 34.95 34.69 2kd2 s ARG 172 CO 0.64 -0.24 1.33 -2.00 0.02 0.00 0.00 175.30 175.04 2kd2 s GLU 173 N 1.61 3.34 -0.09 3.54 2.12 -1.26 -1.81 118.70 126.15 2kd2 s GLU 173 Ca -0.02 2.16 0.04 0.00 0.36 0.00 0.00 54.97 57.52 2kd2 s GLU 173 Cb -0.13 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.92 2kd2 s GLU 173 CO -0.03 -1.01 -0.23 0.42 -0.54 0.00 0.00 175.26 173.87 2kd2 s ILE 174 N -1.34 1.95 0.20 -3.70 -1.09 0.05 -4.89 121.20 112.38 2kd2 s ILE 174 Ca 0.69 -0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 57.84 2kd2 s ILE 174 Cb -0.38 -1.68 -0.09 0.00 -1.58 0.00 0.00 42.46 38.73 2kd2 s ILE 174 CO 0.46 0.54 1.30 -2.16 -1.23 0.00 0.00 174.94 173.85 2kd2 s PRO 175 N 0.27 4.39 -0.39 2.79 0.04 -1.26 -4.42 135.00 136.42 2kd2 s PRO 175 Ca -0.15 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 2kd2 s PRO 175 Cb -0.17 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2kd2 s PRO 175 CO 0.07 -0.24 0.58 -2.00 0.04 0.00 0.00 177.00 175.45 2kd2 s GLU 176 N -0.13 3.48 0.02 4.56 -6.30 -1.26 -4.29 118.70 114.78 2kd2 s GLU 176 Ca 0.56 -0.22 -0.31 0.00 -2.50 0.00 0.00 54.97 52.50 2kd2 s GLU 176 Cb -0.36 -3.87 -0.10 0.00 0.00 0.00 0.00 34.13 29.80 2kd2 s GLU 176 CO 0.38 -0.81 1.95 -0.11 0.02 0.00 0.00 175.26 176.70 2kd2 n LEU 177 N 5.98 4.04 -3.63 2.70 7.94 -1.14 -4.93 117.00 127.96 2kd2 n LEU 177 Ca -0.03 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 2kd2 n LEU 177 Cb 0.48 -1.50 -0.06 0.00 0.53 0.00 0.00 43.42 42.87 2kd2 n LEU 177 CO 0.49 0.16 0.83 0.28 -1.11 0.00 0.00 177.39 178.04 2kd2 s THR 178 N 4.28 -0.02 0.00 1.96 -1.32 -1.26 -4.67 115.64 114.61 2kd2 s THR 178 Ca 0.89 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.37 2kd2 s THR 178 Cb -0.48 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 2kd2 s THR 178 CO 0.44 0.00 0.24 1.67 -2.21 0.00 0.00 174.62 174.75