#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 4.45 -1.33 1.61 0.04 -1.26 -4.92 135.00 133.59 2kd2 s PRO 87 Ca 0.00 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 2kd2 s PRO 87 Cb 0.00 -3.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.31 2kd2 s PRO 87 CO 0.00 -0.08 3.02 -0.11 0.04 0.00 0.00 177.00 179.87 2kd2 n LEU 88 N 1.30 8.14 -3.97 -3.56 7.94 -1.26 -4.81 117.00 120.78 2kd2 n LEU 88 Ca 0.01 -4.22 0.03 0.00 -1.11 0.00 0.00 56.01 50.72 2kd2 n LEU 88 Cb 0.43 -1.52 0.01 0.00 0.53 0.00 0.00 43.42 42.87 2kd2 n LEU 88 CO 0.57 2.01 1.12 -0.83 -1.11 0.00 0.00 177.39 179.16 2kd2 s GLY 89 N 1.97 -0.17 0.29 -3.96 0.00 -1.26 -5.16 107.32 99.03 2kd2 s GLY 89 Ca 0.68 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.52 2kd2 s GLY 89 CO -0.06 5.54 0.00 -1.26 0.00 0.00 0.00 173.10 177.33 2kd2 n SER 90 N -1.01 -8.13 0.02 1.64 2.88 -1.26 -5.01 113.62 102.75 2kd2 n SER 90 Ca 0.03 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 2kd2 n SER 90 Cb 0.59 -3.87 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 2kd2 n SER 90 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kd2 n GLU 91 N -3.94 0.00 -2.76 -1.46 2.13 -1.26 -5.03 120.64 108.32 2kd2 n GLU 91 Ca 0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2kd2 n GLU 91 Cb 0.58 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.37 2kd2 n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2kd2 n ASN 92 N -2.47 -2.01 -3.63 4.31 2.85 -1.26 -5.08 115.26 107.97 2kd2 n ASN 92 Ca 0.00 -3.49 -0.29 0.00 -0.11 0.00 0.00 54.58 50.68 2kd2 n ASN 92 Cb 0.00 1.60 -0.15 0.00 1.24 0.00 0.00 39.78 42.48 2kd2 n ASN 92 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2kd2 s ARG 93 N 0.01 0.52 -0.25 1.20 3.52 -1.26 -4.98 118.95 117.71 2kd2 s ARG 93 Ca 0.23 -0.93 0.09 0.00 -0.13 0.00 0.00 55.73 55.00 2kd2 s ARG 93 Cb 0.31 -1.61 0.44 0.00 -1.56 0.00 0.00 34.95 32.53 2kd2 s ARG 93 CO -0.06 -1.03 1.20 0.43 -0.81 0.00 0.00 175.30 175.03 2kd2 n SER 94 N 4.87 3.51 0.11 -2.12 7.64 -1.26 -4.74 113.62 121.64 2kd2 n SER 94 Ca -0.02 -3.76 -0.02 0.00 1.01 0.00 0.00 58.87 56.07 2kd2 n SER 94 Cb 0.41 -0.42 0.19 0.00 -1.01 0.00 0.00 64.21 63.38 2kd2 n SER 94 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2kd2 h LYS 95 N 1.69 0.14 -0.49 1.43 3.64 -2.03 -3.07 116.57 117.89 2kd2 h LYS 95 Ca 0.20 -0.09 -0.25 0.00 -1.27 0.00 0.00 60.65 59.24 2kd2 h LYS 95 Cb 1.32 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 33.00 2kd2 h LYS 95 CO 0.43 0.64 0.07 0.25 -2.27 0.00 0.00 179.45 178.58 2kd2 n THR 96 N -3.92 2.70 -3.64 1.00 -2.24 -1.26 -4.94 114.28 101.98 2kd2 n THR 96 Ca -0.02 -2.59 -0.06 0.00 -2.27 0.00 0.00 64.05 59.12 2kd2 n THR 96 Cb 0.56 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.26 -0.20 0.13 4.28 -4.23 -1.16 -2.86 115.64 108.34 2kd2 s THR 97 Ca 0.47 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2kd2 s THR 97 Cb 0.42 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 2kd2 s THR 97 CO 0.02 0.00 0.10 -0.44 -0.54 0.00 0.00 174.62 173.76 2kd2 s SER 98 N 1.88 5.44 0.03 3.99 0.01 -0.88 -4.75 113.70 119.43 2kd2 s SER 98 Ca -0.09 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 2kd2 s SER 98 Cb -0.07 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 2kd2 s SER 98 CO -0.20 0.11 -0.01 -0.89 0.41 0.00 0.00 173.24 172.67 2kd2 s THR 99 N -1.59 0.16 -0.16 1.44 2.01 -1.26 -0.13 115.64 116.11 2kd2 s THR 99 Ca 0.30 -1.30 -0.10 0.00 0.31 0.00 0.00 61.69 60.90 2kd2 s THR 99 Cb -0.11 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.59 2kd2 s THR 99 CO 0.22 -0.72 0.40 0.26 -0.69 0.00 0.00 174.62 174.09 2kd2 s TRP 100 N -2.63 -0.56 -0.27 4.92 0.51 0.11 -2.34 118.94 118.68 2kd2 s TRP 100 Ca -0.05 1.22 -0.03 0.00 -2.12 0.00 0.00 56.10 55.12 2kd2 s TRP 100 Cb -0.01 0.23 0.02 0.00 -0.81 0.00 0.00 33.47 32.90 2kd2 s TRP 100 CO -0.05 -0.32 -0.01 0.08 -0.51 0.00 0.00 176.95 176.14 2kd2 s VAL 101 N 1.21 3.22 0.01 4.03 1.01 -1.26 -0.54 120.40 128.08 2kd2 s VAL 101 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2kd2 s VAL 101 Cb -0.08 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2kd2 s VAL 101 CO -0.10 0.13 -0.03 -1.48 0.00 0.00 0.00 175.10 173.62 2kd2 s LEU 102 N 1.37 2.14 -0.85 3.92 2.34 -0.56 -4.90 118.68 122.14 2kd2 s LEU 102 Ca 0.00 -0.31 -0.25 0.00 0.06 0.00 0.00 54.13 53.64 2kd2 s LEU 102 Cb -0.17 0.02 -0.00 0.00 -0.56 0.00 0.00 46.19 45.47 2kd2 s LEU 102 CO -0.02 -0.17 1.70 -0.60 -1.06 0.00 0.00 176.35 176.21 2kd2 s ARG 103 N -0.89 2.94 0.13 1.48 3.52 -1.26 0.19 118.95 125.06 2kd2 s ARG 103 Ca -0.09 -0.33 0.08 0.00 -0.13 0.00 0.00 55.73 55.26 2kd2 s ARG 103 Cb -0.06 -4.89 -0.04 0.00 -1.56 0.00 0.00 34.95 28.41 2kd2 s ARG 103 CO -0.00 -2.76 -0.18 -1.17 -0.81 0.00 0.00 175.30 170.38 2kd2 s LEU 104 N 7.88 2.37 -0.92 -0.88 0.20 0.67 -4.70 118.68 123.30 2kd2 s LEU 104 Ca 0.58 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.63 2kd2 s LEU 104 Cb -0.06 -0.77 0.00 0.00 -0.43 0.00 0.00 46.19 44.92 2kd2 s LEU 104 CO 0.03 -0.03 0.00 -0.67 -0.29 0.00 0.00 176.35 175.40 2kd2 n ASP 105 N 0.68 -5.13 0.00 3.68 2.03 -1.26 -1.23 116.55 115.32 2kd2 n ASP 105 Ca -0.16 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2kd2 n ASP 105 Cb 0.56 -3.39 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 -0.47 0.80 3.23 0.27 0.00 -1.26 -5.02 105.19 102.73 2kd2 n GLY 106 Ca -0.09 0.00 -0.15 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 -0.36 1.39 -0.96 1.61 8.01 -0.37 -5.07 118.70 122.95 2kd2 s GLU 107 Ca 0.00 -1.76 -0.24 0.00 0.01 0.00 0.00 54.97 52.98 2kd2 s GLU 107 Cb 0.00 0.27 -0.06 0.00 -4.31 0.00 0.00 34.13 30.04 2kd2 s GLU 107 CO 0.00 -0.47 1.95 -0.51 0.01 0.00 0.00 175.26 176.24 2kd2 s ASP 108 N -3.24 5.10 0.03 -0.19 1.01 -1.26 -0.24 116.67 117.89 2kd2 s ASP 108 Ca 0.39 -0.87 -0.30 0.00 0.71 0.00 0.00 52.55 52.48 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 -2.83 1.39 -0.22 0.21 0.00 0.00 175.17 173.89 2kd2 s LEU 109 N 10.35 4.33 -0.28 1.23 2.96 0.13 -4.87 118.68 132.54 2kd2 s LEU 109 Ca 0.70 2.17 -0.07 0.00 -0.22 0.00 0.00 54.13 56.71 2kd2 s LEU 109 Cb -0.06 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 2kd2 s LEU 109 CO 0.02 -0.69 0.06 -0.60 -1.32 0.00 0.00 176.35 173.83 2kd2 s ARG 110 N 1.99 3.27 -0.07 1.98 3.52 -1.26 -1.50 118.95 126.88 2kd2 s ARG 110 Ca 0.64 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 2kd2 s ARG 110 Cb -0.33 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 2kd2 s ARG 110 CO 0.28 -0.35 -0.05 0.08 -0.81 0.00 0.00 175.30 174.44 2kd2 s VAL 111 N 1.53 3.85 -0.01 7.11 1.01 0.30 -3.85 120.40 130.34 2kd2 s VAL 111 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2kd2 s VAL 111 Cb -0.16 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 2kd2 s VAL 111 CO 0.02 0.60 -0.05 -0.69 0.00 0.00 0.00 175.10 174.98 2kd2 s VAL 112 N -0.82 0.44 -0.40 2.92 1.01 -0.24 0.09 120.40 123.40 2kd2 s VAL 112 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kd2 s VAL 112 Cb -0.11 -0.38 0.11 0.00 0.00 0.00 0.00 36.38 36.00 2kd2 s VAL 112 CO 0.02 0.13 0.17 -0.22 0.00 0.00 0.00 175.10 175.20 2kd2 s LEU 113 N -0.07 5.14 0.15 3.92 2.96 0.82 0.14 118.68 131.75 2kd2 s LEU 113 Ca 0.01 -2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 51.55 2kd2 s LEU 113 Cb -0.03 -1.78 -0.07 0.00 0.50 0.00 0.00 46.19 44.81 2kd2 s LEU 113 CO -0.00 -0.50 1.16 -1.61 -1.32 0.00 0.00 176.35 174.07 2kd2 s GLU 114 N 1.07 4.52 0.39 1.98 2.02 -0.94 -2.08 118.70 125.66 2kd2 s GLU 114 Ca 0.09 1.79 0.27 0.00 0.02 0.00 0.00 54.97 57.14 2kd2 s GLU 114 Cb -0.22 -3.28 0.96 0.00 0.10 0.00 0.00 34.13 31.69 2kd2 s GLU 114 CO -0.05 -0.06 1.80 0.87 0.02 0.00 0.00 175.26 177.84 2kd2 h LYS 115 N 5.53 0.00 -0.28 1.61 1.79 -1.87 0.25 116.57 123.61 2kd2 h LYS 115 Ca -0.44 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.10 2kd2 h LYS 115 Cb 1.21 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2kd2 h LYS 115 CO 0.75 0.00 -0.23 0.22 -1.08 0.00 0.00 179.45 179.11 2kd2 h ASP 116 N 0.00 -0.74 0.00 0.86 3.58 -1.91 -3.30 116.42 114.92 2kd2 h ASP 116 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2kd2 h ASP 116 Cb 0.61 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2kd2 h ASP 116 CO 0.00 -0.26 -0.26 0.35 -2.88 0.00 0.00 179.24 176.19 2kd2 n THR 117 N -5.37 0.41 -2.30 2.25 -2.24 -1.23 -4.99 114.28 100.82 2kd2 n THR 117 Ca -0.00 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 2kd2 n THR 117 Cb 0.29 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.98 2kd2 n THR 117 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kd2 n MET 118 N -0.29 -2.02 -2.48 -0.78 1.56 0.89 -4.94 117.12 109.05 2kd2 n MET 118 Ca 0.03 0.69 -0.28 0.00 -0.27 0.00 0.00 57.70 57.86 2kd2 n MET 118 Cb 0.61 -5.25 -0.00 0.00 2.15 0.00 0.00 33.22 30.73 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 -2.05 6.27 -0.14 6.12 1.11 -1.17 -4.84 116.67 121.97 2kd2 s ASP 119 Ca 0.00 1.05 -0.05 0.00 0.18 0.00 0.00 52.55 53.73 2kd2 s ASP 119 Cb 0.00 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.65 2kd2 s ASP 119 CO 0.00 -0.63 0.04 -0.69 1.18 0.00 0.00 175.17 175.07 2kd2 s VAL 120 N -2.81 4.61 -0.20 -1.27 1.01 -1.26 -2.20 120.40 118.28 2kd2 s VAL 120 Ca 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 2kd2 s VAL 120 Cb -0.10 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2kd2 s VAL 120 CO 0.46 0.53 -0.12 0.86 0.00 0.00 0.00 175.10 176.83 2kd2 s TRP 121 N -0.17 2.87 -0.03 5.22 -0.00 0.12 -0.02 118.94 126.93 2kd2 s TRP 121 Ca 0.06 -1.28 0.01 0.00 -0.00 0.00 0.00 56.10 54.89 2kd2 s TRP 121 Cb -0.12 -2.01 0.02 0.00 -0.00 0.00 0.00 33.47 31.36 2kd2 s TRP 121 CO 0.02 -0.67 -0.02 0.00 -0.00 0.00 0.00 176.95 176.28 2kd2 n ASN 123 N 3.85 -1.33 -3.94 0.00 5.03 -1.25 -1.47 115.26 116.15 2kd2 n ASN 123 Ca -0.24 -0.92 -0.26 0.00 0.87 0.00 0.00 54.58 54.03 2kd2 n ASN 123 Cb 0.52 -3.44 -0.01 0.00 -1.02 0.00 0.00 39.78 35.83 2kd2 n ASN 123 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kd2 n GLY 124 N -1.77 -0.28 3.03 7.41 0.00 -1.26 -4.96 105.19 107.35 2kd2 n GLY 124 Ca -0.24 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2kd2 n GLY 124 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kd2 s GLN 125 N -6.51 0.32 -0.59 1.61 -0.44 -0.54 -5.10 119.66 108.42 2kd2 s GLN 125 Ca 0.15 0.70 -0.29 0.00 -2.50 0.00 0.00 55.36 53.43 2kd2 s GLN 125 Cb -0.08 -0.20 -0.11 0.00 -1.64 0.00 0.00 33.01 30.98 2kd2 s GLN 125 CO 0.88 -0.49 2.46 1.17 0.50 0.00 0.00 175.29 179.80 2kd2 n LYS 126 N 5.37 0.82 -0.52 1.67 4.81 -1.26 -2.88 118.16 126.17 2kd2 n LYS 126 Ca -0.05 0.06 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2kd2 n LYS 126 Cb 0.50 -2.82 0.26 0.00 0.02 0.00 0.00 35.03 32.99 2kd2 n LYS 126 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2kd2 s MET 127 N 8.13 -1.11 -0.29 1.64 -1.94 0.98 -5.00 119.30 121.70 2kd2 s MET 127 Ca 1.09 0.80 0.03 0.00 -1.71 0.00 0.00 55.69 55.90 2kd2 s MET 127 Cb -0.54 -1.53 0.07 0.00 2.01 0.00 0.00 34.83 34.83 2kd2 s MET 127 CO 0.35 -3.84 -0.04 -2.00 -0.01 0.00 0.00 175.02 169.47 2kd2 s GLU 128 N -4.44 2.05 0.36 2.03 2.12 -1.26 -4.61 118.70 114.95 2kd2 s GLU 128 Ca 0.69 -1.50 0.02 0.00 0.36 0.00 0.00 54.97 54.54 2kd2 s GLU 128 Cb -0.25 -3.03 0.07 0.00 0.26 0.00 0.00 34.13 31.17 2kd2 s GLU 128 CO 0.65 -0.69 0.50 0.25 -0.54 0.00 0.00 175.26 175.43 2kd2 n THR 129 N 4.41 0.00 -0.06 -1.70 -2.24 -1.26 -3.93 114.28 109.49 2kd2 n THR 129 Ca -0.09 -0.94 -0.19 0.00 -2.27 0.00 0.00 64.05 60.56 2kd2 n THR 129 Cb 0.42 -0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 67.56 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 -2.82 1.18 -3.07 6.98 0.00 -0.37 -4.81 120.51 117.59 2kd2 n ALA 130 Ca -0.08 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.37 2kd2 n ALA 130 Cb 0.32 -0.40 0.04 0.00 0.00 0.00 0.00 19.45 19.42 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 2.10 0.17 3.62 0.00 0.00 -1.26 -4.95 105.19 104.87 2kd2 n GLY 131 Ca -0.38 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -5.69 3.99 -0.36 1.61 2.12 -1.25 -5.01 118.70 114.11 2kd2 s GLU 132 Ca 0.31 0.59 -0.17 0.00 0.36 0.00 0.00 54.97 56.06 2kd2 s GLU 132 Cb -0.14 -3.71 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 2kd2 s GLU 132 CO 0.38 -0.62 0.44 -0.06 -0.54 0.00 0.00 175.26 174.86 2kd2 s PHE 133 N 2.86 3.19 0.62 5.30 0.40 -1.26 -2.49 117.98 126.59 2kd2 s PHE 133 Ca 0.31 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 2kd2 s PHE 133 Cb -0.14 -2.82 0.12 0.00 0.51 0.00 0.00 43.02 40.68 2kd2 s PHE 133 CO 0.11 -0.52 0.85 1.33 0.70 0.00 0.00 175.22 177.69 2kd2 n VAL 134 N 5.36 0.00 -0.13 -0.44 0.24 -1.07 -4.97 118.33 117.32 2kd2 n VAL 134 Ca -0.07 -1.41 0.13 0.00 -2.04 0.00 0.00 64.34 60.95 2kd2 n VAL 134 Cb 0.49 -0.91 0.49 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.45 0.40 -1.74 -1.34 5.19 -2.05 -3.38 116.42 113.04 2kd2 h ASP 135 Ca -0.28 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 55.96 2kd2 h ASP 135 Cb 1.07 -0.07 -0.29 0.00 0.18 0.00 0.00 39.33 40.23 2kd2 h ASP 135 CO 0.31 0.22 -0.53 1.51 -3.12 0.00 0.00 179.24 177.64 2kd2 s ASP 136 N -6.11 0.38 0.00 6.45 1.47 -1.26 -5.13 116.67 112.47 2kd2 s ASP 136 Ca -0.08 -0.27 0.00 0.00 1.18 0.00 0.00 52.55 53.38 2kd2 s ASP 136 Cb 0.20 1.10 0.00 0.00 -0.34 0.00 0.00 42.92 43.88 2kd2 s ASP 136 CO 0.76 -0.34 0.00 0.61 0.68 0.00 0.00 175.17 176.87 2kd2 n GLY 137 N 5.36 0.92 2.88 2.12 0.00 -1.26 -4.72 105.19 110.49 2kd2 n GLY 137 Ca -0.00 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.16 0.45 -0.57 2.61 2.01 -1.22 -2.61 115.64 115.14 2kd2 s THR 138 Ca 0.00 -0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.82 2kd2 s THR 138 Cb 0.00 -0.48 0.15 0.00 0.01 0.00 0.00 72.50 72.18 2kd2 s THR 138 CO 0.00 0.20 0.45 -1.61 -0.69 0.00 0.00 174.62 172.97 2kd2 s GLU 139 N 0.83 2.72 -0.47 4.92 2.02 -1.04 -1.97 118.70 125.71 2kd2 s GLU 139 Ca -0.10 -2.04 -0.29 0.00 0.02 0.00 0.00 54.97 52.56 2kd2 s GLU 139 Cb -0.13 -4.00 0.03 0.00 0.10 0.00 0.00 34.13 30.13 2kd2 s GLU 139 CO -0.00 -1.22 1.13 0.95 0.02 0.00 0.00 175.26 176.15 2kd2 s THR 140 N 0.88 4.22 -0.43 3.63 -4.23 -1.10 -3.81 115.64 114.80 2kd2 s THR 140 Ca 0.10 1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 61.74 2kd2 s THR 140 Cb -0.22 -4.60 0.07 0.00 1.34 0.00 0.00 72.50 69.09 2kd2 s THR 140 CO -0.03 -1.00 0.29 -1.00 -0.54 0.00 0.00 174.62 172.35 2kd2 s HIS 141 N 4.43 3.31 -0.06 3.99 3.76 -1.26 -1.72 115.29 127.74 2kd2 s HIS 141 Ca 0.48 -1.33 0.04 0.00 -0.15 0.00 0.00 55.06 54.09 2kd2 s HIS 141 Cb -0.07 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.65 2kd2 s HIS 141 CO 0.31 -0.82 -0.16 -0.59 -0.85 0.00 0.00 174.74 172.63 2kd2 s PHE 142 N 1.49 1.73 0.26 1.40 -0.12 -1.23 -1.24 117.98 120.28 2kd2 s PHE 142 Ca 0.03 -0.58 -0.22 0.00 -0.05 0.00 0.00 56.93 56.11 2kd2 s PHE 142 Cb -0.23 -1.20 -0.09 0.00 -0.63 0.00 0.00 43.02 40.88 2kd2 s PHE 142 CO 0.04 -0.23 0.82 -1.54 -0.05 0.00 0.00 175.22 174.25 2kd2 s SER 143 N 0.28 7.17 -0.32 1.98 1.04 -1.25 -3.59 113.70 119.01 2kd2 s SER 143 Ca -0.09 1.59 -0.01 0.00 0.48 0.00 0.00 55.95 57.92 2kd2 s SER 143 Cb -0.14 -2.49 0.11 0.00 0.10 0.00 0.00 66.02 63.60 2kd2 s SER 143 CO 0.04 -0.01 0.13 -0.69 0.98 0.00 0.00 173.24 173.69 2kd2 s VAL 144 N -1.56 0.61 0.00 5.02 1.01 -1.08 -4.83 120.40 119.57 2kd2 s VAL 144 Ca 0.46 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2kd2 s VAL 144 Cb -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2kd2 s VAL 144 CO 0.22 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.19 2kd2 n GLY 145 N 4.75 3.36 2.14 4.51 0.00 -1.26 -0.12 105.19 118.57 2kd2 n GLY 145 Ca -0.01 0.25 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 2kd2 n GLY 145 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kd2 n ASN 146 N 6.42 4.06 -4.34 1.61 6.94 -1.26 -4.94 115.26 123.76 2kd2 n ASN 146 Ca 0.00 -3.50 -0.17 0.00 -0.02 0.00 0.00 54.58 50.89 2kd2 n ASN 146 Cb 0.00 -0.81 -0.10 0.00 -2.36 0.00 0.00 39.78 36.51 2kd2 n ASN 146 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2kd2 s HIS 147 N -3.21 1.58 -0.50 -2.53 3.76 0.83 -5.12 115.29 110.10 2kd2 s HIS 147 Ca 0.56 -0.92 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2kd2 s HIS 147 Cb 0.47 -0.92 0.14 0.00 1.11 0.00 0.00 32.58 33.37 2kd2 s HIS 147 CO 0.12 -0.03 0.27 -0.51 -0.85 0.00 0.00 174.74 173.74 2kd2 s ASP 148 N -3.32 4.03 0.50 1.40 1.01 -1.26 -2.62 116.67 116.41 2kd2 s ASP 148 Ca 0.29 -2.93 0.07 0.00 0.71 0.00 0.00 52.55 50.68 2kd2 s ASP 148 Cb 0.06 -1.37 0.04 0.00 1.01 0.00 0.00 42.92 42.66 2kd2 s ASP 148 CO 0.09 -0.23 0.69 0.00 0.21 0.00 0.00 175.17 175.92 2kd2 s TYR 150 N -2.55 -0.17 -0.40 0.00 1.13 -0.29 -3.48 117.35 111.59 2kd2 s TYR 150 Ca 0.58 0.35 -0.16 0.00 -1.41 0.00 0.00 57.07 56.43 2kd2 s TYR 150 Cb -0.09 0.46 0.01 0.00 -1.10 0.00 0.00 41.96 41.25 2kd2 s TYR 150 CO 0.36 -0.12 0.39 0.42 -2.51 0.00 0.00 175.55 174.09 2kd2 s ILE 151 N -0.55 5.14 -0.66 -3.49 1.01 -0.70 -0.57 121.20 121.37 2kd2 s ILE 151 Ca 0.05 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 2kd2 s ILE 151 Cb -0.03 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.50 2kd2 s ILE 151 CO -0.08 -0.33 1.23 -0.75 0.00 0.00 0.00 174.94 175.01 2kd2 s LYS 152 N 2.03 3.34 0.08 2.79 2.20 0.98 -2.70 119.74 128.45 2kd2 s LYS 152 Ca 0.11 -0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 55.62 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 0.13 -1.93 0.36 0.00 -0.36 0.00 0.00 175.35 173.55 2kd2 s ALA 153 N 5.34 3.78 -0.09 3.13 0.00 -0.83 -0.07 121.76 133.02 2kd2 s ALA 153 Ca 0.38 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 2kd2 s ALA 153 Cb -0.08 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.92 2kd2 s ALA 153 CO 0.20 0.62 0.17 0.08 0.00 0.00 0.00 175.76 176.83 2kd2 s VAL 154 N -1.45 -0.27 0.12 0.00 1.01 0.01 -3.37 120.40 116.45 2kd2 s VAL 154 Ca 0.34 0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.45 2kd2 s VAL 154 Cb -0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 2kd2 s VAL 154 CO 0.20 0.14 0.65 -0.94 0.00 0.00 0.00 175.10 175.15 2kd2 s SER 155 N 2.26 7.16 0.05 3.32 1.04 -1.26 -1.31 113.70 124.96 2kd2 s SER 155 Ca 0.02 1.40 0.04 0.00 0.48 0.00 0.00 55.95 57.89 2kd2 s SER 155 Cb -0.12 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 2kd2 s SER 155 CO -0.06 0.22 -0.12 -0.94 0.98 0.00 0.00 173.24 173.32 2kd2 s SER 156 N -1.21 1.35 0.00 7.02 1.04 0.71 -4.86 113.70 117.75 2kd2 s SER 156 Ca 0.33 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2kd2 s SER 156 Cb -0.20 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2kd2 s SER 156 CO 0.22 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2kd2 n GLY 157 N 1.54 -0.58 0.23 7.32 0.00 -1.26 -1.25 105.19 111.19 2kd2 n GLY 157 Ca -0.21 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.60 2kd2 n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kd2 h LYS 158 N 1.46 0.60 0.00 1.61 6.56 -1.98 -3.45 116.57 121.36 2kd2 h LYS 158 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2kd2 h LYS 158 Cb 0.00 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.53 2kd2 h LYS 158 CO 0.00 0.39 0.00 0.54 -2.06 0.00 0.00 179.45 178.32 2kd2 n ARG 159 N -4.82 0.00 -2.42 3.15 1.74 -1.26 -4.99 116.66 108.07 2kd2 n ARG 159 Ca 0.06 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.12 2kd2 n ARG 159 Cb 0.13 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.62 2kd2 n ARG 159 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kd2 n LYS 160 N -3.42 1.59 0.35 5.56 5.02 -1.26 -4.65 118.16 121.35 2kd2 n LYS 160 Ca 0.00 -3.28 -0.14 0.00 -2.02 0.00 0.00 58.31 52.87 2kd2 n LYS 160 Cb 0.00 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.58 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 2.20 -0.86 -3.79 1.97 4.22 -1.87 -3.44 114.58 113.00 2kd2 h GLU 161 Ca -0.10 0.06 -0.43 0.00 0.08 0.00 0.00 59.36 58.97 2kd2 h GLU 161 Cb 1.41 0.20 -0.37 0.00 0.50 0.00 0.00 28.75 30.49 2kd2 h GLU 161 CO 0.22 -0.57 -0.77 0.20 -2.18 0.00 0.00 179.01 175.91 2kd2 s GLY 162 N -2.00 0.47 0.01 1.92 0.00 -0.38 -5.02 107.32 102.32 2kd2 s GLY 162 Ca -0.13 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.51 2kd2 s GLY 162 CO 0.39 0.96 -0.06 -0.42 0.00 0.00 0.00 173.10 173.96 2kd2 s ILE 163 N 1.70 3.67 -0.07 0.90 1.01 -1.26 -0.21 121.20 126.94 2kd2 s ILE 163 Ca 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2kd2 s ILE 163 Cb -0.13 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.75 2kd2 s ILE 163 CO -0.04 0.36 -0.10 -0.63 0.00 0.00 0.00 174.94 174.53 2kd2 s ILE 164 N -1.03 1.01 -0.12 2.92 1.01 -0.42 -4.99 121.20 119.58 2kd2 s ILE 164 Ca 0.18 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 2kd2 s ILE 164 Cb -0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2kd2 s ILE 164 CO 0.09 0.34 0.04 -1.00 0.00 0.00 0.00 174.94 174.40 2kd2 s HIS 165 N 0.91 3.25 -0.26 3.97 3.76 -1.26 -0.81 115.29 124.85 2kd2 s HIS 165 Ca -0.10 0.18 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2kd2 s HIS 165 Cb -0.15 -1.91 0.08 0.00 1.11 0.00 0.00 32.58 31.71 2kd2 s HIS 165 CO 0.01 0.39 0.02 0.99 -0.85 0.00 0.00 174.74 175.30 2kd2 s THR 166 N -0.48 1.22 0.33 1.30 2.01 0.90 -4.95 115.64 115.98 2kd2 s THR 166 Ca 0.09 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 2kd2 s THR 166 Cb -0.12 -1.70 -0.10 0.00 0.01 0.00 0.00 72.50 70.58 2kd2 s THR 166 CO 0.02 -0.34 1.36 -0.22 -0.69 0.00 0.00 174.62 174.75 2kd2 s LEU 167 N 1.50 4.40 -0.03 4.42 2.96 -1.26 -0.01 118.68 130.65 2kd2 s LEU 167 Ca 0.01 2.77 0.01 0.00 -0.22 0.00 0.00 54.13 56.70 2kd2 s LEU 167 Cb -0.18 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 42.89 2kd2 s LEU 167 CO -0.12 -0.63 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.64 2kd2 s ILE 168 N -0.99 0.21 -0.18 6.68 1.01 0.26 -0.68 121.20 127.51 2kd2 s ILE 168 Ca 0.51 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.23 2kd2 s ILE 168 Cb -0.41 -0.30 0.04 0.00 0.01 0.00 0.00 42.46 41.80 2kd2 s ILE 168 CO 0.54 0.15 -0.10 -0.69 0.00 0.00 0.00 174.94 174.85 2kd2 s VAL 169 N 0.99 1.50 -1.02 2.92 1.01 -0.62 -1.14 120.40 124.03 2kd2 s VAL 169 Ca -0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 2kd2 s VAL 169 Cb -0.14 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2kd2 s VAL 169 CO -0.01 0.19 0.87 -0.67 0.00 0.00 0.00 175.10 175.48 2kd2 n ASP 170 N 4.74 -3.15 -3.61 3.32 -0.08 -1.24 -2.79 116.55 113.73 2kd2 n ASP 170 Ca -0.14 -0.49 -0.23 0.00 -1.51 0.00 0.00 54.79 52.42 2kd2 n ASP 170 Cb 0.47 -4.26 0.07 0.00 2.34 0.00 0.00 41.12 39.74 2kd2 n ASP 170 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kd2 n ASN 171 N -2.57 -4.92 -3.74 1.67 3.02 -1.26 -5.00 115.26 102.47 2kd2 n ASN 171 Ca -0.16 -0.61 -0.18 0.00 -0.03 0.00 0.00 54.58 53.60 2kd2 n ASN 171 Cb 0.61 -4.84 -0.17 0.00 -0.61 0.00 0.00 39.78 34.77 2kd2 n ASN 171 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kd2 s ARG 172 N -6.13 0.06 0.52 3.52 0.52 -1.12 -5.14 118.95 111.19 2kd2 s ARG 172 Ca 0.44 0.24 -0.22 0.00 -0.52 0.00 0.00 55.73 55.67 2kd2 s ARG 172 Cb -0.20 -0.47 -0.05 0.00 0.52 0.00 0.00 34.95 34.75 2kd2 s ARG 172 CO 0.75 -0.24 1.32 -2.00 0.02 0.00 0.00 175.30 175.15 2kd2 s GLU 173 N 1.60 3.29 -0.09 3.54 2.12 -1.26 -1.59 118.70 126.31 2kd2 s GLU 173 Ca -0.02 2.15 0.04 0.00 0.36 0.00 0.00 54.97 57.50 2kd2 s GLU 173 Cb -0.13 -2.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.95 2kd2 s GLU 173 CO -0.03 -1.04 -0.23 0.42 -0.54 0.00 0.00 175.26 173.84 2kd2 s ILE 174 N -1.35 1.98 0.20 -3.70 -1.09 0.14 -4.87 121.20 112.51 2kd2 s ILE 174 Ca 0.69 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.83 2kd2 s ILE 174 Cb -0.38 -1.71 -0.09 0.00 -1.58 0.00 0.00 42.46 38.70 2kd2 s ILE 174 CO 0.45 0.54 1.30 -2.16 -1.23 0.00 0.00 174.94 173.85 2kd2 s PRO 175 N 0.26 4.39 0.26 2.79 0.04 -1.26 -4.40 135.00 137.08 2kd2 s PRO 175 Ca -0.15 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 2kd2 s PRO 175 Cb -0.17 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2kd2 s PRO 175 CO 0.07 -0.25 0.55 -2.00 0.04 0.00 0.00 177.00 175.42 2kd2 s GLU 176 N -0.12 3.73 0.37 4.56 2.12 -1.26 -4.24 118.70 123.85 2kd2 s GLU 176 Ca 0.56 0.16 0.12 0.00 0.36 0.00 0.00 54.97 56.18 2kd2 s GLU 176 Cb -0.36 -2.64 0.92 0.00 0.26 0.00 0.00 34.13 32.31 2kd2 s GLU 176 CO 0.38 0.27 1.83 1.25 -0.54 0.00 0.00 175.26 178.45 2kd2 h LEU 177 N 2.16 0.58 -9.14 2.70 7.12 -1.87 -3.41 115.31 113.45 2kd2 h LEU 177 Ca -0.47 0.06 -0.67 0.00 0.13 0.00 0.00 57.88 56.92 2kd2 h LEU 177 Cb 1.18 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 41.27 2kd2 h LEU 177 CO 0.68 0.23 1.05 0.35 -0.13 0.00 0.00 178.44 180.63 2kd2 n THR 178 N -4.60 0.43 -0.58 1.05 -2.24 -1.26 -5.11 114.28 101.98 2kd2 n THR 178 Ca 0.20 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2kd2 n THR 178 Cb 0.62 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2kd2 n THR 178 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17