#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cc3 n PRO 89 N 0.00 1.29 -3.36 1.61 -0.02 -1.26 -4.95 135.00 128.30 2cc3 n PRO 89 Ca 0.00 0.14 -0.38 0.00 -2.02 0.00 0.00 63.50 61.24 2cc3 n PRO 89 Cb 0.00 -3.38 -0.06 0.00 -0.02 0.00 0.00 33.50 30.04 2cc3 n PRO 89 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2cc3 s HIS 90 N 11.17 3.62 0.04 6.00 -3.43 -1.26 -5.09 115.29 126.34 2cc3 s HIS 90 Ca 0.99 0.97 0.03 0.00 -0.80 0.00 0.00 55.06 56.26 2cc3 s HIS 90 Cb -0.22 -2.47 -0.02 0.00 -1.43 0.00 0.00 32.58 28.44 2cc3 s HIS 90 CO 0.29 0.37 -0.11 -1.64 -2.00 0.00 0.00 174.74 171.65 2cc3 s MET 91 N -0.12 0.69 0.59 -0.38 1.00 -1.26 -5.14 119.30 114.68 2cc3 s MET 91 Ca 0.26 -0.73 -0.18 0.00 0.00 0.00 0.00 55.69 55.03 2cc3 s MET 91 Cb -0.16 -0.60 -0.03 0.00 0.00 0.00 0.00 34.83 34.03 2cc3 s MET 91 CO 0.12 0.14 1.13 0.95 0.00 0.00 0.00 175.02 177.36 2cc3 s THR 92 N -1.06 3.12 0.27 2.05 -4.23 -1.26 -4.90 115.64 109.62 2cc3 s THR 92 Ca -0.04 0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 61.07 2cc3 s THR 92 Cb -0.08 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.83 2cc3 s THR 92 CO 0.01 -0.22 1.91 -0.61 -0.54 0.00 0.00 174.62 175.17 2cc3 h GLN 93 N 0.73 1.18 -0.67 3.99 -0.00 -2.01 -1.32 115.11 117.02 2cc3 h GLN 93 Ca -0.49 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.10 2cc3 h GLN 93 Cb 1.26 -0.27 -0.03 0.00 0.00 0.00 0.00 27.48 28.44 2cc3 h GLN 93 CO 0.56 0.78 0.44 0.93 0.00 0.00 0.00 178.83 181.54 2cc3 h GLU 94 N 1.21 0.88 -0.64 1.69 5.08 -1.99 0.33 114.58 121.15 2cc3 h GLU 94 Ca 0.40 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2cc3 h GLU 94 Cb 0.05 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2cc3 h GLU 94 CO -0.13 0.59 0.29 1.49 -1.00 0.00 0.00 179.01 180.24 2cc3 h GLU 95 N 0.91 0.93 -0.29 2.33 4.81 -1.90 -1.61 114.58 119.76 2cc3 h GLU 95 Ca 0.24 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2cc3 h GLU 95 Cb -0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2cc3 h GLU 95 CO -0.05 0.76 0.14 0.00 -0.73 0.00 0.00 179.01 179.13 2cc3 h ALA 96 N 1.12 0.37 -0.61 2.92 0.00 -0.35 -2.51 119.26 120.21 2cc3 h ALA 96 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cc3 h ALA 96 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2cc3 h ALA 96 CO -0.02 -0.07 0.39 0.28 0.00 0.00 0.00 179.25 179.83 2cc3 h VAL 97 N 0.34 1.16 -0.18 0.00 2.07 -0.31 -2.02 116.25 117.30 2cc3 h VAL 97 Ca 0.10 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2cc3 h VAL 97 Cb 0.11 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2cc3 h VAL 97 CO -0.01 0.16 -0.11 0.58 0.02 0.00 0.00 177.57 178.21 2cc3 h VAL 98 N 0.82 0.67 -0.48 2.57 2.07 -1.24 -1.24 116.25 119.42 2cc3 h VAL 98 Ca 0.22 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 2cc3 h VAL 98 Cb -0.08 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2cc3 h VAL 98 CO -0.05 0.00 0.11 0.78 0.02 0.00 0.00 177.57 178.43 2cc3 h ASN 99 N -0.10 0.74 -0.28 0.57 2.35 -1.36 -1.00 115.58 116.50 2cc3 h ASN 99 Ca 0.11 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2cc3 h ASN 99 Cb 0.26 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2cc3 h ASN 99 CO -0.25 0.79 0.14 0.00 -1.65 0.00 0.00 177.43 176.45 2cc3 h ALA 100 N 0.98 0.36 -0.18 -0.83 0.00 -1.31 -2.53 119.26 115.76 2cc3 h ALA 100 Ca 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2cc3 h ALA 100 Cb 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2cc3 h ALA 100 CO 0.00 -0.08 -0.12 0.77 0.00 0.00 0.00 179.25 179.83 2cc3 h SER 101 N 0.32 0.41 -0.67 0.00 0.02 -0.94 -0.76 113.55 111.93 2cc3 h SER 101 Ca 0.10 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 2cc3 h SER 101 Cb 0.12 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2cc3 h SER 101 CO -0.01 0.76 0.17 -0.07 -1.14 0.00 0.00 176.83 176.53 2cc3 h LEU 102 N 0.06 1.02 -0.21 5.07 3.38 -1.28 0.18 115.31 123.54 2cc3 h LEU 102 Ca 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2cc3 h LEU 102 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2cc3 h LEU 102 CO 0.03 0.98 -0.03 -0.25 0.09 0.00 0.00 178.44 179.26 2cc3 h TRP 103 N 1.03 0.44 -0.64 1.13 2.91 -1.47 0.14 115.95 119.49 2cc3 h TRP 103 Ca 0.22 -0.09 0.11 0.00 1.13 0.00 0.00 58.89 60.26 2cc3 h TRP 103 Cb 0.36 -0.11 -0.08 0.00 -0.51 0.00 0.00 29.16 28.82 2cc3 h TRP 103 CO 0.03 0.62 0.20 1.49 -1.03 0.00 0.00 178.44 179.74 2cc3 h GLU 104 N 0.13 0.33 0.27 2.65 4.81 -1.02 0.51 114.58 122.27 2cc3 h GLU 104 Ca 0.06 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2cc3 h GLU 104 Cb 0.47 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2cc3 h GLU 104 CO 0.02 0.22 -0.46 -0.92 -0.73 0.00 0.00 179.01 177.14 2cc3 h TYR 105 N 0.34 -1.28 -0.19 0.92 3.20 -0.25 0.22 116.97 119.94 2cc3 h TYR 105 Ca 0.34 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.27 2cc3 h TYR 105 Cb 0.48 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 2cc3 h TYR 105 CO -0.21 -0.58 -0.09 0.28 -1.64 0.00 0.00 178.16 175.92 2cc3 h VAL 106 N -0.79 0.70 -0.57 1.81 2.07 -0.49 -0.76 116.25 118.22 2cc3 h VAL 106 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2cc3 h VAL 106 Cb 0.75 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2cc3 h VAL 106 CO -0.17 0.00 0.32 -0.09 0.02 0.00 0.00 177.57 177.65 2cc3 h ARG 107 N -0.07 0.60 -0.62 1.57 2.43 0.44 0.10 114.38 118.82 2cc3 h ARG 107 Ca 0.10 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2cc3 h ARG 107 Cb 0.23 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2cc3 h ARG 107 CO -0.24 0.39 0.14 -0.07 -1.51 0.00 0.00 179.97 178.68 2cc3 h LEU 108 N 0.61 0.93 0.00 3.80 3.38 -0.26 -1.93 115.31 121.84 2cc3 h LEU 108 Ca 0.25 -0.19 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 2cc3 h LEU 108 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2cc3 h LEU 108 CO -0.15 0.91 -1.06 -0.09 0.09 0.00 0.00 178.44 178.15 2cc3 h ARG 109 N 0.94 0.00 0.00 1.13 2.43 -0.55 -3.36 114.38 114.96 2cc3 h ARG 109 Ca 0.20 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2cc3 h ARG 109 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2cc3 h ARG 109 CO 0.00 0.96 -1.55 0.39 -1.51 0.00 0.00 179.97 178.26 2cc3 n GLU 110 N -3.33 0.57 -2.13 0.20 -0.58 0.30 -4.92 120.64 110.75 2cc3 n GLU 110 Ca -0.01 -0.12 -0.31 0.00 -0.42 0.00 0.00 57.16 56.30 2cc3 n GLU 110 Cb 0.95 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 30.35 2cc3 n GLU 110 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2cc3 s SER 111 N -3.78 6.40 -0.14 1.62 0.01 -0.73 -4.78 113.70 112.31 2cc3 s SER 111 Ca -0.02 1.47 -0.07 0.00 1.31 0.00 0.00 55.95 58.65 2cc3 s SER 111 Cb 0.14 -2.48 0.06 0.00 0.21 0.00 0.00 66.02 63.94 2cc3 s SER 111 CO 0.83 -0.74 0.31 -0.47 0.41 0.00 0.00 173.24 173.59 2cc3 s TYR 112 N -2.92 -0.47 -0.08 2.43 5.04 -0.36 -4.89 117.35 116.10 2cc3 s TYR 112 Ca 0.56 1.03 -0.04 0.00 -2.44 0.00 0.00 57.07 56.18 2cc3 s TYR 112 Cb -0.11 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.37 2cc3 s TYR 112 CO 0.44 -0.31 0.19 0.34 -1.34 0.00 0.00 175.55 174.87 2cc3 s ASP 113 N 1.59 -0.19 0.46 4.32 3.68 -1.26 -1.76 116.67 123.51 2cc3 s ASP 113 Ca -0.07 0.40 0.23 0.00 2.13 0.00 0.00 52.55 55.24 2cc3 s ASP 113 Cb -0.10 0.31 1.23 0.00 -1.45 0.00 0.00 42.92 42.91 2cc3 s ASP 113 CO -0.10 -0.14 1.86 0.00 0.13 0.00 0.00 175.17 176.92 2cc3 h ALA 114 N 6.97 2.45 -0.16 3.66 0.00 -1.84 0.15 119.26 130.49 2cc3 h ALA 114 Ca -0.39 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2cc3 h ALA 114 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2cc3 h ALA 114 CO 0.40 -0.73 -0.44 -0.44 0.00 0.00 0.00 179.25 178.03 2cc3 h ASP 115 N 0.25 0.42 -0.16 0.00 3.32 -1.96 -3.25 116.42 115.05 2cc3 h ASP 115 Ca 0.47 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2cc3 h ASP 115 Cb 1.41 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2cc3 h ASP 115 CO -0.13 0.81 0.00 0.35 -1.72 0.00 0.00 179.24 178.55 2cc3 n THR 116 N -4.00 0.23 -0.16 0.35 -2.24 -0.22 -4.66 114.28 103.59 2cc3 n THR 116 Ca -0.02 -0.61 -0.03 0.00 -2.27 0.00 0.00 64.05 61.12 2cc3 n THR 116 Cb 0.52 1.19 0.05 0.00 -2.10 0.00 0.00 70.33 69.99 2cc3 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cc3 h ALA 117 N 3.72 0.39 -0.26 6.98 0.00 -0.81 0.18 119.26 129.46 2cc3 h ALA 117 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2cc3 h ALA 117 Cb 0.83 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cc3 h ALA 117 CO 0.00 -0.42 -0.50 0.37 0.00 0.00 0.00 179.25 178.70 2cc3 h GLN 118 N 0.05 0.79 0.29 0.00 5.75 -1.82 0.36 115.11 120.52 2cc3 h GLN 118 Ca 0.24 -0.51 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 2cc3 h GLN 118 Cb 0.37 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2cc3 h GLN 118 CO -0.47 1.13 -0.14 -0.92 -2.65 0.00 0.00 178.83 175.79 2cc3 h TYR 119 N 0.54 -0.36 -0.02 3.99 3.20 -1.83 -2.51 116.97 119.98 2cc3 h TYR 119 Ca 0.01 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2cc3 h TYR 119 Cb 1.10 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 2cc3 h TYR 119 CO 0.08 -0.21 -0.13 0.00 -1.64 0.00 0.00 178.16 176.26 2cc3 h ALA 120 N 0.30 -0.13 -0.65 1.82 0.00 -0.62 -2.71 119.26 117.27 2cc3 h ALA 120 Ca -0.04 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.01 2cc3 h ALA 120 Cb 0.31 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 2cc3 h ALA 120 CO 0.06 -0.62 0.14 -0.92 0.00 0.00 0.00 179.25 177.91 2cc3 h TYR 121 N -0.21 0.21 0.28 0.00 3.20 -0.92 0.15 116.97 119.68 2cc3 h TYR 121 Ca 0.05 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2cc3 h TYR 121 Cb 0.28 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2cc3 h TYR 121 CO -0.20 -0.06 -0.14 -0.44 -1.64 0.00 0.00 178.16 175.69 2cc3 h ASP 122 N 0.26 -0.32 -0.59 -2.11 3.32 -1.32 -1.63 116.42 114.03 2cc3 h ASP 122 Ca 0.35 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2cc3 h ASP 122 Cb 0.55 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2cc3 h ASP 122 CO -0.45 -0.08 0.38 -0.07 -1.72 0.00 0.00 179.24 177.31 2cc3 h LEU 123 N -0.56 0.65 0.01 1.55 3.38 -1.18 0.24 115.31 119.41 2cc3 h LEU 123 Ca -0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2cc3 h LEU 123 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2cc3 h LEU 123 CO 0.06 0.47 -0.00 0.58 0.09 0.00 0.00 178.44 179.64 2cc3 h VAL 124 N 0.77 1.01 -0.87 1.22 2.07 -0.68 -2.83 116.25 116.94 2cc3 h VAL 124 Ca 0.22 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.72 2cc3 h VAL 124 Cb -0.06 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2cc3 h VAL 124 CO -0.06 0.01 0.57 0.28 0.02 0.00 0.00 177.57 178.39 2cc3 h SER 125 N -0.04 0.95 0.25 0.57 0.02 -1.25 -2.96 113.55 111.10 2cc3 h SER 125 Ca -0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2cc3 h SER 125 Cb 0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2cc3 h SER 125 CO 0.00 0.66 -0.17 0.78 -1.14 0.00 0.00 176.83 176.96 2cc3 h ASN 126 N 1.11 0.00 -0.18 3.07 2.35 -0.71 -3.17 115.58 118.05 2cc3 h ASN 126 Ca 0.34 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 2cc3 h ASN 126 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2cc3 h ASN 126 CO -0.11 0.17 -0.02 0.49 -1.65 0.00 0.00 177.43 176.31 2cc3 n PHE 127 N -4.06 0.63 -4.68 1.19 0.99 -1.09 -4.93 117.46 105.50 2cc3 n PHE 127 Ca -0.02 -1.02 -0.33 0.00 -0.00 0.00 0.00 57.45 56.08 2cc3 n PHE 127 Cb 0.25 -0.28 -0.13 0.00 -1.00 0.00 0.00 39.48 38.32 2cc3 n PHE 127 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2cc3 s SER 128 N -2.35 4.34 0.77 4.37 0.01 -1.17 -0.36 113.70 119.31 2cc3 s SER 128 Ca 0.39 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.35 2cc3 s SER 128 Cb 0.33 -1.41 0.06 0.00 0.21 0.00 0.00 66.02 65.21 2cc3 s SER 128 CO 0.05 0.24 1.11 0.00 0.41 0.00 0.00 173.24 175.06 2cc3 s ALA 129 N -0.11 2.20 0.28 1.44 0.00 -0.10 -4.42 121.76 121.04 2cc3 s ALA 129 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.36 2cc3 s ALA 129 Cb -0.13 -3.31 0.65 0.00 0.00 0.00 0.00 23.12 20.33 2cc3 s ALA 129 CO 0.03 -1.80 1.71 -1.35 0.00 0.00 0.00 175.76 174.36 2cc3 h PRO 130 N -0.96 0.42 0.01 0.00 0.11 -1.95 -0.77 132.00 128.86 2cc3 h PRO 130 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cc3 h PRO 130 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2cc3 h PRO 130 CO 0.51 0.28 -0.00 1.98 -0.21 0.00 0.00 178.00 180.55 2cc3 h MET 131 N 0.44 -0.01 -0.31 1.05 4.05 -1.92 -0.52 114.93 117.71 2cc3 h MET 131 Ca 0.52 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 60.01 2cc3 h MET 131 Cb 0.93 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.66 2cc3 h MET 131 CO -0.49 0.30 -0.12 0.28 0.23 0.00 0.00 176.91 177.12 2cc3 h VAL 132 N -0.33 0.60 -0.62 -5.77 2.07 -1.67 0.20 116.25 110.74 2cc3 h VAL 132 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2cc3 h VAL 132 Cb 0.32 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2cc3 h VAL 132 CO 0.00 0.00 0.28 -0.09 0.02 0.00 0.00 177.57 177.78 2cc3 h ARG 133 N -0.06 0.49 0.24 1.57 2.43 -1.13 -1.18 114.38 116.74 2cc3 h ARG 133 Ca 0.15 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2cc3 h ARG 133 Cb 0.30 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2cc3 h ARG 133 CO -0.35 0.33 -0.12 1.96 -1.51 0.00 0.00 179.97 180.28 2cc3 h GLN 134 N 0.51 -0.32 -0.73 0.20 4.20 -0.45 -0.77 115.11 117.75 2cc3 h GLN 134 Ca 0.30 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.06 2cc3 h GLN 134 Cb 0.30 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2cc3 h GLN 134 CO -0.25 -0.18 0.48 -0.91 -0.67 0.00 0.00 178.83 177.31 2cc3 h ASN 135 N -0.37 0.78 -0.16 1.46 4.21 -0.36 -0.80 115.58 120.33 2cc3 h ASN 135 Ca -0.03 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.39 2cc3 h ASN 135 Cb 0.29 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2cc3 h ASN 135 CO 0.06 0.54 -0.22 0.22 -1.29 0.00 0.00 177.43 176.74 2cc3 h TYR 136 N 0.90 0.52 -0.71 1.19 3.20 -1.08 -3.01 116.97 117.97 2cc3 h TYR 136 Ca 0.29 -0.17 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2cc3 h TYR 136 Cb 0.03 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2cc3 h TYR 136 CO -0.00 0.84 0.20 1.96 -1.64 0.00 0.00 178.16 179.52 2cc3 h GLN 137 N 0.05 1.12 -0.73 1.82 4.20 -0.87 -0.38 115.11 120.32 2cc3 h GLN 137 Ca 0.02 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.51 2cc3 h GLN 137 Cb 0.78 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2cc3 h GLN 137 CO 0.05 0.98 0.48 0.37 -0.67 0.00 0.00 178.83 180.04 2cc3 h GLN 138 N 1.06 0.83 0.20 1.46 4.15 -1.22 0.20 115.11 121.80 2cc3 h GLN 138 Ca 0.23 -0.05 -0.35 0.00 0.77 0.00 0.00 58.65 59.25 2cc3 h GLN 138 Cb 0.34 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 27.85 2cc3 h GLN 138 CO -0.00 0.55 -1.70 0.35 -1.93 0.00 0.00 178.83 176.10 2cc3 h PHE 139 N 0.86 0.75 -0.02 3.99 3.57 -1.36 -3.38 116.94 121.35 2cc3 h PHE 139 Ca 0.30 -0.55 -0.25 0.00 3.53 0.00 0.00 57.97 60.99 2cc3 h PHE 139 Cb 0.10 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 38.82 2cc3 h PHE 139 CO -0.00 1.66 -0.98 0.35 -2.23 0.00 0.00 178.31 177.11 2cc3 h PHE 140 N 0.10 0.94 -4.01 0.41 3.57 -0.93 -3.37 116.94 113.65 2cc3 h PHE 140 Ca -0.33 -0.50 -0.49 0.00 3.53 0.00 0.00 57.97 60.18 2cc3 h PHE 140 Cb 2.10 -0.11 0.04 0.00 2.79 0.00 0.00 35.95 40.77 2cc3 h PHE 140 CO 0.11 1.33 0.43 -0.80 -2.23 0.00 0.00 178.31 177.15 2cc3 s ASN 141 N -7.22 6.39 0.36 0.41 0.01 0.69 -4.69 114.94 110.90 2cc3 s ASN 141 Ca -0.09 2.12 -0.27 0.00 -0.71 0.00 0.00 52.86 53.91 2cc3 s ASN 141 Cb 0.08 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 39.03 2cc3 s ASN 141 CO 0.91 -0.75 1.24 -1.22 -1.51 0.00 0.00 177.10 175.76 2cc3 n TYR 142 N -0.48 2.07 -0.86 2.20 4.02 -1.26 -1.96 117.16 120.89 2cc3 n TYR 142 Ca 0.07 0.55 0.05 0.00 -0.01 0.00 0.00 57.90 58.57 2cc3 n TYR 142 Cb 0.50 -2.38 0.39 0.00 -0.02 0.00 0.00 39.34 37.83 2cc3 n TYR 142 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2cc3 n PRO 143 N 0.40 4.70 -1.49 -0.72 -0.04 -1.26 -5.11 135.00 131.49 2cc3 n PRO 143 Ca 0.06 -3.07 -0.47 0.00 -0.04 0.00 0.00 63.50 59.98 2cc3 n PRO 143 Cb 0.37 -2.25 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 2cc3 n PRO 143 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cc3 n ASN 144 N 0.53 2.29 0.30 3.54 5.15 -0.83 -4.84 115.26 121.40 2cc3 n ASN 144 Ca 0.29 0.26 0.17 0.00 -0.60 0.00 0.00 54.58 54.69 2cc3 n ASN 144 Cb 1.20 -1.34 0.84 0.00 -0.53 0.00 0.00 39.78 39.95 2cc3 n ASN 144 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2cc3 h PRO 145 N 13.70 0.00 -0.12 1.20 0.11 -1.94 -2.15 132.00 142.81 2cc3 h PRO 145 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2cc3 h PRO 145 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2cc3 h PRO 145 CO 1.04 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 179.08 2cc3 n THR 146 N -3.05 0.35 -1.67 -1.15 -2.24 -1.26 -4.48 114.28 100.78 2cc3 n THR 146 Ca -0.01 -0.68 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 2cc3 n THR 146 Cb 0.38 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 2cc3 n THR 146 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2cc3 n SER 147 N 0.51 2.45 0.01 3.42 2.88 -0.81 -4.76 113.62 117.32 2cc3 n SER 147 Ca 0.07 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.95 2cc3 n SER 147 Cb 0.31 -1.44 0.59 0.00 -0.75 0.00 0.00 64.21 62.92 2cc3 n SER 147 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2cc3 h PRO 148 N 2.62 0.20 -0.34 -1.46 0.13 -1.86 -0.06 132.00 131.23 2cc3 h PRO 148 Ca -0.45 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2cc3 h PRO 148 Cb 1.29 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2cc3 h PRO 148 CO 0.64 0.13 0.09 1.96 -0.23 0.00 0.00 178.00 180.58 2cc3 h GLN 149 N 0.20 0.21 -0.02 0.86 4.20 -1.90 0.22 115.11 118.89 2cc3 h GLN 149 Ca 0.22 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2cc3 h GLN 149 Cb 0.59 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2cc3 h GLN 149 CO -0.04 0.14 -0.08 0.28 -0.67 0.00 0.00 178.83 178.46 2cc3 h VAL 150 N 0.22 1.51 -0.18 -0.54 2.07 -1.50 -1.69 116.25 116.13 2cc3 h VAL 150 Ca 0.16 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 2cc3 h VAL 150 Cb 0.16 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2cc3 h VAL 150 CO -0.19 0.43 -0.05 0.40 0.02 0.00 0.00 177.57 178.19 2cc3 h ILE 151 N -0.54 1.29 0.00 4.57 1.08 -1.07 -3.39 117.51 119.45 2cc3 h ILE 151 Ca -0.01 -1.03 -0.35 0.00 -0.39 0.00 0.00 64.86 63.09 2cc3 h ILE 151 Cb 0.75 1.60 -0.06 0.00 -3.07 0.00 0.00 36.82 36.04 2cc3 h ILE 151 CO 0.02 0.31 -2.26 0.18 -0.69 0.00 0.00 178.15 175.70 2cc3 n LEU 152 N -4.65 2.45 0.00 1.44 4.77 0.72 -4.97 117.00 116.77 2cc3 n LEU 152 Ca -0.05 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2cc3 n LEU 152 Cb 0.27 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2cc3 n LEU 152 CO 0.38 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2cc3 n GLY 153 N 2.10 3.48 0.08 -0.72 0.00 -0.64 -1.72 105.19 107.77 2cc3 n GLY 153 Ca -0.41 0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2cc3 n GLY 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cc3 n LYS 154 N 14.00 0.23 -0.13 1.61 5.02 -1.26 -4.04 118.16 133.59 2cc3 n LYS 154 Ca 0.00 -0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2cc3 n LYS 154 Cb 0.00 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.67 2cc3 n LYS 154 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2cc3 n HIS 155 N -1.24 0.34 -3.90 2.13 1.44 -0.70 -4.98 115.22 108.32 2cc3 n HIS 155 Ca 0.06 -0.23 -0.09 0.00 -2.01 0.00 0.00 57.72 55.45 2cc3 n HIS 155 Cb 0.35 -0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.40 2cc3 n HIS 155 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2cc3 s GLY 156 N -1.26 0.29 0.07 -1.39 0.00 -1.07 -3.50 107.32 100.45 2cc3 s GLY 156 Ca 0.28 -0.64 -0.15 0.00 0.00 0.00 0.00 44.72 44.21 2cc3 s GLY 156 CO 0.24 -0.55 0.35 1.09 0.00 0.00 0.00 173.10 174.23 2cc3 s ARG 157 N -3.95 0.91 -0.11 2.90 1.70 -0.49 -4.65 118.95 115.26 2cc3 s ARG 157 Ca 0.16 -0.56 0.02 0.00 -0.47 0.00 0.00 55.73 54.88 2cc3 s ARG 157 Cb 0.00 0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 2cc3 s ARG 157 CO 0.02 -0.32 -0.18 -0.51 -1.08 0.00 0.00 175.30 173.24 2cc3 s LEU 158 N -2.31 2.43 0.02 -1.89 1.43 -0.72 -0.81 118.68 116.83 2cc3 s LEU 158 Ca -0.02 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2cc3 s LEU 158 Cb 0.00 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 2cc3 s LEU 158 CO -0.06 0.17 -0.23 -0.70 0.23 0.00 0.00 176.35 175.76 2cc3 s GLU 159 N 0.31 2.00 -0.05 1.70 2.12 -0.21 -1.22 118.70 123.35 2cc3 s GLU 159 Ca -0.14 -1.00 0.05 0.00 0.36 0.00 0.00 54.97 54.24 2cc3 s GLU 159 Cb -0.17 -2.08 -0.00 0.00 0.26 0.00 0.00 34.13 32.14 2cc3 s GLU 159 CO 0.07 0.54 -0.20 0.08 -0.54 0.00 0.00 175.26 175.21 2cc3 s VAL 160 N -0.78 1.66 -0.08 3.70 1.01 -1.26 -0.42 120.40 124.23 2cc3 s VAL 160 Ca 0.12 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2cc3 s VAL 160 Cb -0.10 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2cc3 s VAL 160 CO 0.02 0.47 -0.14 -1.61 0.00 0.00 0.00 175.10 173.84 2cc3 s GLU 161 N 0.03 1.92 0.49 2.72 2.02 0.06 -4.96 118.70 120.97 2cc3 s GLU 161 Ca -0.06 -0.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.23 2cc3 s GLU 161 Cb -0.13 -1.60 -0.07 0.00 0.10 0.00 0.00 34.13 32.43 2cc3 s GLU 161 CO 0.03 0.00 1.32 -1.58 0.02 0.00 0.00 175.26 175.06 2cc3 s HIS 162 N 0.78 2.52 0.06 1.61 5.65 -1.26 -0.68 115.29 123.97 2cc3 s HIS 162 Ca -0.12 1.39 -0.02 0.00 0.25 0.00 0.00 55.06 56.57 2cc3 s HIS 162 Cb -0.16 -3.72 -0.01 0.00 -1.18 0.00 0.00 32.58 27.52 2cc3 s HIS 162 CO 0.02 -2.49 -0.03 -0.89 -0.65 0.00 0.00 174.74 170.70 2cc3 n ILE 163 N -0.57 1.10 -3.74 0.89 5.41 0.14 -4.79 119.36 117.80 2cc3 n ILE 163 Ca 0.08 0.34 -0.10 0.00 1.00 0.00 0.00 62.75 64.06 2cc3 n ILE 163 Cb 0.45 -1.58 -0.06 0.00 -0.71 0.00 0.00 39.64 37.73 2cc3 n ILE 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2cc3 s ALA 164 N -2.09 -0.63 -0.08 -1.39 0.00 -1.11 -4.98 121.76 111.48 2cc3 s ALA 164 Ca -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.73 2cc3 s ALA 164 Cb 0.00 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.67 2cc3 s ALA 164 CO 0.04 -0.54 -0.13 -1.12 0.00 0.00 0.00 175.76 174.01 2cc3 s SER 165 N -2.65 1.97 -0.10 0.00 0.01 -1.26 -1.02 113.70 110.65 2cc3 s SER 165 Ca 0.02 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2cc3 s SER 165 Cb 0.02 -0.90 0.02 0.00 0.21 0.00 0.00 66.02 65.38 2cc3 s SER 165 CO -0.10 0.03 -0.08 0.20 0.41 0.00 0.00 173.24 173.70 2cc3 s ASN 166 N 0.76 2.10 -0.08 2.44 0.01 0.37 -4.98 114.94 115.56 2cc3 s ASN 166 Ca -0.12 -0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 51.43 2cc3 s ASN 166 Cb -0.16 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.63 2cc3 s ASN 166 CO 0.03 -0.09 1.37 -1.81 -1.51 0.00 0.00 177.10 175.08 2cc3 s ASP 167 N 1.52 6.88 -0.24 -1.22 1.01 -1.26 -0.68 116.67 122.68 2cc3 s ASP 167 Ca 0.02 1.94 -0.17 0.00 0.71 0.00 0.00 52.55 55.05 2cc3 s ASP 167 Cb -0.13 -2.55 -0.14 0.00 1.01 0.00 0.00 42.92 41.11 2cc3 s ASP 167 CO -0.06 -0.75 -0.12 1.33 0.21 0.00 0.00 175.17 175.77 2cc3 n VAL 168 N 5.07 1.53 -4.26 -1.27 0.24 -1.07 -4.96 118.33 113.61 2cc3 n VAL 168 Ca 0.14 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 62.09 2cc3 n VAL 168 Cb 0.44 -1.99 -0.09 0.00 -1.47 0.00 0.00 33.84 30.73 2cc3 n VAL 168 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2cc3 s THR 169 N -2.46 0.12 0.23 3.34 -4.23 -1.25 -5.05 115.64 106.33 2cc3 s THR 169 Ca -0.34 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 57.86 2cc3 s THR 169 Cb 0.10 -2.51 -0.12 0.00 1.34 0.00 0.00 72.50 71.31 2cc3 s THR 169 CO 0.52 0.00 1.68 -2.65 -0.54 0.00 0.00 174.62 173.62 2cc3 n PRO 170 N -0.44 2.70 -0.63 3.99 -0.02 -1.26 -2.02 135.00 137.32 2cc3 n PRO 170 Ca 0.03 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2cc3 n PRO 170 Cb 0.65 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2cc3 n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cc3 n GLY 171 N 3.42 1.12 3.15 -1.23 0.00 -1.26 -5.00 105.19 105.38 2cc3 n GLY 171 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2cc3 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cc3 s VAL 172 N -3.40 1.24 -0.07 1.61 1.01 -0.86 0.27 120.40 120.21 2cc3 s VAL 172 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2cc3 s VAL 172 Cb 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2cc3 s VAL 172 CO 0.00 0.22 0.19 -1.58 0.00 0.00 0.00 175.10 173.94 2cc3 s GLN 173 N -0.70 0.22 -0.12 2.72 0.74 0.04 -2.58 119.66 119.98 2cc3 s GLN 173 Ca 0.05 0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.69 2cc3 s GLN 173 Cb -0.07 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 2cc3 s GLN 173 CO 0.00 -0.03 0.03 -0.65 -0.55 0.00 0.00 175.29 174.09 2cc3 s GLN 174 N 0.15 3.40 -0.19 1.67 -0.21 0.14 -0.16 119.66 124.45 2cc3 s GLN 174 Ca -0.00 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.02 2cc3 s GLN 174 Cb -0.02 -2.98 0.05 0.00 1.00 0.00 0.00 33.01 31.06 2cc3 s GLN 174 CO -0.00 0.54 -0.07 0.42 -2.12 0.00 0.00 175.29 174.06 2cc3 s ILE 175 N -0.42 1.39 0.09 1.08 1.01 0.24 -0.48 121.20 124.10 2cc3 s ILE 175 Ca 0.09 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 2cc3 s ILE 175 Cb -0.12 -1.55 -0.07 0.00 0.01 0.00 0.00 42.46 40.74 2cc3 s ILE 175 CO 0.02 0.10 0.66 -0.13 0.00 0.00 0.00 174.94 175.59 2cc3 s ARG 176 N 1.50 4.37 0.07 2.79 0.52 -0.19 0.32 118.95 128.33 2cc3 s ARG 176 Ca -0.01 0.91 -0.21 0.00 -0.52 0.00 0.00 55.73 55.90 2cc3 s ARG 176 Cb -0.16 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.08 2cc3 s ARG 176 CO -0.08 0.55 0.50 1.52 0.02 0.00 0.00 175.30 177.81 2cc3 s TYR 177 N -0.89 -0.39 -0.12 -0.53 -0.85 -0.31 -0.68 117.35 113.58 2cc3 s TYR 177 Ca 0.32 0.34 -0.04 0.00 -0.52 0.00 0.00 57.07 57.18 2cc3 s TYR 177 Cb -0.21 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 2cc3 s TYR 177 CO 0.22 -0.67 0.03 0.21 -1.52 0.00 0.00 175.55 173.81 2cc3 s LYS 178 N -2.83 3.32 -0.11 -3.49 2.20 0.14 -1.11 119.74 117.86 2cc3 s LYS 178 Ca -0.03 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2cc3 s LYS 178 Cb -0.00 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 2cc3 s LYS 178 CO -0.05 0.58 -0.19 0.50 -0.36 0.00 0.00 175.35 175.83 2cc3 s ARG 179 N -0.52 3.19 -0.12 4.03 3.52 0.15 -0.76 118.95 128.44 2cc3 s ARG 179 Ca 0.10 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 2cc3 s ARG 179 Cb -0.12 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 2cc3 s ARG 179 CO 0.02 0.20 -0.23 0.99 -0.81 0.00 0.00 175.30 175.47 2cc3 s THR 180 N 0.34 2.07 -0.26 4.11 2.01 0.44 -0.86 115.64 123.49 2cc3 s THR 180 Ca -0.16 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.69 2cc3 s THR 180 Cb -0.17 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2cc3 s THR 180 CO 0.08 0.56 0.37 -0.22 -0.69 0.00 0.00 174.62 174.72 2cc3 s LEU 181 N 0.56 4.06 -0.31 4.42 2.96 0.19 -1.04 118.68 129.52 2cc3 s LEU 181 Ca -0.13 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2cc3 s LEU 181 Cb -0.17 -2.44 0.07 0.00 0.50 0.00 0.00 46.19 44.16 2cc3 s LEU 181 CO 0.04 -0.16 0.01 -0.63 -1.32 0.00 0.00 176.35 174.28 2cc3 s ILE 182 N 1.93 2.67 0.39 6.68 1.01 0.01 -1.50 121.20 132.40 2cc3 s ILE 182 Ca 0.16 -1.72 0.08 0.00 0.00 0.00 0.00 60.65 59.16 2cc3 s ILE 182 Cb -0.16 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.59 2cc3 s ILE 182 CO 0.09 -0.25 0.10 -0.69 0.00 0.00 0.00 174.94 174.19 2cc3 s VAL 183 N 1.13 2.31 0.20 2.92 1.01 -1.26 -1.39 120.40 125.33 2cc3 s VAL 183 Ca -0.02 -1.83 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 2cc3 s VAL 183 Cb -0.20 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 2cc3 s VAL 183 CO -0.04 -0.05 1.01 -1.81 0.00 0.00 0.00 175.10 174.21 2cc3 s ASP 184 N -3.81 7.46 0.00 3.32 1.01 -1.23 -3.71 116.67 119.71 2cc3 s ASP 184 Ca 0.38 2.00 0.00 0.00 0.71 0.00 0.00 52.55 55.65 2cc3 s ASP 184 Cb 0.04 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2cc3 s ASP 184 CO 0.21 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.17 2cc3 n GLY 185 N 1.73 1.31 3.25 0.21 0.00 -1.26 -5.01 105.19 105.42 2cc3 n GLY 185 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2cc3 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cc3 s LYS 186 N -0.08 1.04 0.64 1.61 1.02 -1.24 -5.14 119.74 117.59 2cc3 s LYS 186 Ca 0.00 -1.16 -0.18 0.00 0.02 0.00 0.00 55.97 54.66 2cc3 s LYS 186 Cb 0.00 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.18 2cc3 s LYS 186 CO 0.00 0.24 1.06 -1.33 -0.92 0.00 0.00 175.35 174.40 2cc3 n MET 187 N 0.89 0.87 -1.83 1.68 2.81 -1.26 -4.60 117.12 115.68 2cc3 n MET 187 Ca -0.18 0.35 -0.42 0.00 -1.81 0.00 0.00 57.70 55.63 2cc3 n MET 187 Cb 0.55 -2.29 -0.03 0.00 -0.71 0.00 0.00 33.22 30.74 2cc3 n MET 187 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2cc3 s PRO 188 N -3.07 4.05 -0.17 0.03 0.02 -1.26 -4.75 135.00 129.85 2cc3 s PRO 188 Ca 0.78 2.33 -0.16 0.00 0.02 0.00 0.00 61.00 63.97 2cc3 s PRO 188 Cb -0.39 -4.10 -0.04 0.00 0.02 0.00 0.00 34.50 29.99 2cc3 s PRO 188 CO 0.45 -1.03 0.39 -1.64 -0.33 0.00 0.00 177.00 174.84 2cc3 s MET 189 N 4.46 4.23 0.21 5.54 -1.94 -0.56 -4.90 119.30 126.35 2cc3 s MET 189 Ca 0.82 0.23 0.11 0.00 -1.71 0.00 0.00 55.69 55.14 2cc3 s MET 189 Cb -0.37 -3.49 -0.05 0.00 2.01 0.00 0.00 34.83 32.94 2cc3 s MET 189 CO 0.36 0.07 -0.21 0.00 -0.01 0.00 0.00 175.02 175.22 2cc3 s ALA 190 N 0.97 2.48 0.00 3.03 0.00 -1.26 0.55 121.76 127.53 2cc3 s ALA 190 Ca 0.20 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 2cc3 s ALA 190 Cb -0.14 -0.27 0.08 0.00 0.00 0.00 0.00 23.12 22.78 2cc3 s ALA 190 CO 0.07 0.34 0.72 -1.54 0.00 0.00 0.00 175.76 175.35 2cc3 s SER 191 N -2.94 -0.57 0.05 0.00 1.04 -0.03 -4.99 113.70 106.26 2cc3 s SER 191 Ca 0.23 0.40 0.03 0.00 0.48 0.00 0.00 55.95 57.09 2cc3 s SER 191 Cb -0.06 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2cc3 s SER 191 CO 0.11 -0.68 0.00 -0.89 0.98 0.00 0.00 173.24 172.76 2cc3 s THR 192 N -2.11 4.10 0.05 2.02 2.01 -1.26 0.33 115.64 120.79 2cc3 s THR 192 Ca -0.05 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 2cc3 s THR 192 Cb -0.00 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2cc3 s THR 192 CO 0.00 0.23 0.01 0.26 -0.69 0.00 0.00 174.62 174.44 2cc3 s TRP 193 N -1.22 0.42 -0.17 4.92 0.52 -0.27 -0.84 118.94 122.30 2cc3 s TRP 193 Ca 0.23 -0.90 0.01 0.00 0.02 0.00 0.00 56.10 55.46 2cc3 s TRP 193 Cb -0.12 -0.30 0.03 0.00 -1.15 0.00 0.00 33.47 31.93 2cc3 s TRP 193 CO 0.15 -0.39 -0.15 0.99 0.02 0.00 0.00 176.95 177.57 2cc3 s THR 194 N -3.59 1.74 0.15 2.01 2.01 -0.60 -1.16 115.64 116.21 2cc3 s THR 194 Ca 0.04 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.04 2cc3 s THR 194 Cb 0.05 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.83 2cc3 s THR 194 CO -0.09 0.41 0.62 0.00 -0.69 0.00 0.00 174.62 174.87 2cc3 s ALA 195 N 1.40 3.52 -0.25 7.40 0.00 0.15 -1.76 121.76 132.22 2cc3 s ALA 195 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 2cc3 s ALA 195 Cb -0.14 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.35 2cc3 s ALA 195 CO -0.11 0.40 -0.04 0.99 0.00 0.00 0.00 175.76 176.99 2cc3 s THR 196 N -1.39 3.00 -0.22 0.00 2.01 0.13 -0.59 115.64 118.58 2cc3 s THR 196 Ca 0.37 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2cc3 s THR 196 Cb -0.17 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 69.85 2cc3 s THR 196 CO 0.20 0.18 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.49 2cc3 s VAL 197 N 1.34 1.96 0.07 3.82 1.01 0.77 -2.59 120.40 126.78 2cc3 s VAL 197 Ca 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 2cc3 s VAL 197 Cb -0.17 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 2cc3 s VAL 197 CO -0.04 0.19 0.42 -0.60 0.00 0.00 0.00 175.10 175.08 2cc3 s ARG 198 N 1.25 3.82 0.01 2.72 3.52 -0.56 -0.78 118.95 128.94 2cc3 s ARG 198 Ca -0.03 0.27 -0.08 0.00 -0.13 0.00 0.00 55.73 55.76 2cc3 s ARG 198 Cb -0.17 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2cc3 s ARG 198 CO -0.08 0.57 0.15 1.52 -0.81 0.00 0.00 175.30 176.65 2cc3 s TYR 199 N -1.35 0.06 0.35 5.12 -0.85 0.14 -1.96 117.35 118.86 2cc3 s TYR 199 Ca 0.32 -0.19 0.09 0.00 -0.52 0.00 0.00 57.07 56.77 2cc3 s TYR 199 Cb -0.15 -0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.09 2cc3 s TYR 199 CO 0.17 -0.33 -0.01 -1.83 -1.52 0.00 0.00 175.55 172.03 2cc3 s GLU 200 N -1.75 2.01 -0.23 -3.49 -1.05 0.15 -4.66 118.70 109.68 2cc3 s GLU 200 Ca -0.12 -1.82 -0.04 0.00 -0.15 0.00 0.00 54.97 52.84 2cc3 s GLU 200 Cb -0.06 -1.86 -0.01 0.00 -0.44 0.00 0.00 34.13 31.77 2cc3 s GLU 200 CO -0.00 0.12 -0.03 0.15 0.95 0.00 0.00 175.26 176.45 2cc3 s LYS 201 N -3.69 3.35 0.03 -4.83 1.02 -1.26 -1.25 119.74 113.11 2cc3 s LYS 201 Ca 0.34 -0.64 -0.17 0.00 0.02 0.00 0.00 55.97 55.52 2cc3 s LYS 201 Cb 0.01 -3.04 -0.06 0.00 -0.52 0.00 0.00 37.83 34.22 2cc3 s LYS 201 CO 0.19 -0.22 0.48 0.14 -0.92 0.00 0.00 175.35 175.02 2cc3 s VAL 202 N 1.48 4.90 -0.08 3.17 -7.23 -0.13 -5.01 120.40 117.50 2cc3 s VAL 202 Ca 0.05 1.01 0.25 0.00 -1.81 0.00 0.00 61.98 61.49 2cc3 s VAL 202 Cb -0.15 -3.80 0.29 0.00 0.56 0.00 0.00 36.38 33.29 2cc3 s VAL 202 CO -0.03 0.56 1.76 0.71 -0.31 0.00 0.00 175.10 177.80 2cc3 h THR 203 N 3.64 0.27 -3.94 5.32 1.35 -1.95 -3.41 112.91 114.19 2cc3 h THR 203 Ca -0.51 -1.05 -0.32 0.00 -0.55 0.00 0.00 66.41 63.98 2cc3 h THR 203 Cb 1.22 1.84 -0.26 0.00 -1.73 0.00 0.00 68.15 69.22 2cc3 h THR 203 CO 0.63 0.13 -0.75 -0.94 -0.25 0.00 0.00 175.52 174.33 2cc3 s SER 204 N -6.08 0.75 0.02 5.36 1.04 -1.26 -5.06 113.70 108.47 2cc3 s SER 204 Ca 0.03 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 2cc3 s SER 204 Cb 0.08 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2cc3 s SER 204 CO 0.63 -0.01 0.05 -0.76 0.98 0.00 0.00 173.24 174.13 2cc3 s LEU 205 N -0.59 1.92 0.84 2.42 1.43 -1.26 -5.09 118.68 118.35 2cc3 s LEU 205 Ca -0.01 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2cc3 s LEU 205 Cb -0.05 0.39 0.10 0.00 0.03 0.00 0.00 46.19 46.67 2cc3 s LEU 205 CO 0.00 -0.36 1.16 -2.16 0.23 0.00 0.00 176.35 175.22 2cc3 s PRO 206 N -1.62 1.49 0.29 1.29 0.04 -1.26 -4.62 135.00 130.62 2cc3 s PRO 206 Ca -0.14 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.51 2cc3 s PRO 206 Cb -0.08 -1.78 0.60 0.00 0.04 0.00 0.00 34.50 33.29 2cc3 s PRO 206 CO -0.01 -2.29 1.84 0.78 0.04 0.00 0.00 177.00 177.37 2cc3 h GLY 207 N -1.30 1.60 2.00 0.56 0.00 -2.01 0.58 103.07 104.50 2cc3 h GLY 207 Ca -0.45 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 2cc3 h GLY 207 CO 0.45 0.14 -0.04 0.07 0.00 0.00 0.00 176.54 177.16 2cc3 h ARG 208 N 0.94 0.00 0.02 4.80 0.11 -2.01 -1.86 114.38 116.39 2cc3 h ARG 208 Ca 0.50 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 60.18 2cc3 h ARG 208 Cb 0.55 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.56 2cc3 h ARG 208 CO -0.26 0.04 -2.39 1.28 0.10 0.00 0.00 179.97 178.73 2cc3 n LEU 209 N -3.24 2.80 -0.31 0.08 4.32 -0.23 -4.30 117.00 116.12 2cc3 n LEU 209 Ca -0.01 -0.03 0.10 0.00 -0.02 0.00 0.00 56.01 56.05 2cc3 n LEU 209 Cb 0.22 -0.93 0.27 0.00 -1.62 0.00 0.00 43.42 41.35 2cc3 n LEU 209 CO 0.26 0.88 1.12 -0.09 -1.22 0.00 0.00 177.39 178.33 2cc3 h ARG 210 N -0.11 0.61 -0.35 3.23 9.65 -0.75 -0.57 114.38 126.08 2cc3 h ARG 210 Ca -0.57 -0.04 0.10 0.00 -1.10 0.00 0.00 59.98 58.38 2cc3 h ARG 210 Cb 1.88 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 30.31 2cc3 h ARG 210 CO -0.10 0.40 0.32 1.25 2.80 0.00 0.00 179.97 184.64 2cc3 h LEU 211 N 0.63 0.00 -0.34 3.80 5.85 -1.53 -1.93 115.31 121.79 2cc3 h LEU 211 Ca 0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.24 2cc3 h LEU 211 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2cc3 h LEU 211 CO -0.40 0.00 -0.21 0.35 -0.34 0.00 0.00 178.44 177.84 2cc3 n THR 212 N -3.99 0.00 -3.20 1.05 -2.24 -0.48 -4.71 114.28 100.70 2cc3 n THR 212 Ca 0.06 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.21 2cc3 n THR 212 Cb 0.49 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.69 2cc3 n THR 212 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2cc3 n ASN 213 N -0.73 -0.24 0.30 3.42 5.15 -0.35 -5.00 115.26 117.81 2cc3 n ASN 213 Ca 0.02 -2.65 0.16 0.00 -0.60 0.00 0.00 54.58 51.50 2cc3 n ASN 213 Cb 0.12 -0.43 0.93 0.00 -0.53 0.00 0.00 39.78 39.87 2cc3 n ASN 213 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2cc3 h PRO 214 N 4.41 0.00 -0.06 1.20 0.13 -1.61 -2.98 132.00 133.09 2cc3 h PRO 214 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2cc3 h PRO 214 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2cc3 h PRO 214 CO 0.42 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 2cc3 n GLY 215 N -1.24 0.69 2.40 1.56 0.00 -1.26 -4.97 105.19 102.37 2cc3 n GLY 215 Ca -0.03 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 2cc3 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cc3 n GLY 216 N 1.29 -0.19 3.75 -0.02 0.00 -1.12 -4.75 105.19 104.15 2cc3 n GLY 216 Ca 0.16 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2cc3 n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cc3 s LEU 217 N -4.36 4.59 -0.04 0.99 1.02 -1.26 -0.96 118.68 118.66 2cc3 s LEU 217 Ca 0.08 2.05 0.01 0.00 0.02 0.00 0.00 54.13 56.29 2cc3 s LEU 217 Cb -0.03 -3.65 0.02 0.00 0.02 0.00 0.00 46.19 42.55 2cc3 s LEU 217 CO 0.10 0.04 -0.03 -0.69 0.02 0.00 0.00 176.35 175.78 2cc3 s VAL 218 N -1.21 0.42 -0.37 -1.59 1.01 -0.38 -4.85 120.40 113.43 2cc3 s VAL 218 Ca 0.43 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2cc3 s VAL 218 Cb -0.27 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.65 2cc3 s VAL 218 CO 0.34 0.20 1.08 -0.69 0.00 0.00 0.00 175.10 176.04 2cc3 s VAL 219 N 1.00 4.42 -0.32 2.92 1.01 0.51 -0.67 120.40 129.27 2cc3 s VAL 219 Ca -0.10 1.55 0.22 0.00 0.00 0.00 0.00 61.98 63.65 2cc3 s VAL 219 Cb -0.14 -4.47 -0.31 0.00 0.00 0.00 0.00 36.38 31.47 2cc3 s VAL 219 CO -0.01 -0.64 0.60 0.35 0.00 0.00 0.00 175.10 175.40 2cc3 n THR 220 N 6.17 0.00 -3.81 3.92 -2.24 -0.83 -0.93 114.28 116.56 2cc3 n THR 220 Ca 0.12 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2cc3 n THR 220 Cb 0.48 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.89 2cc3 n THR 220 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2cc3 s SER 221 N -4.05 -0.18 -0.14 3.42 0.15 -1.20 -4.72 113.70 106.98 2cc3 s SER 221 Ca -0.03 0.33 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 2cc3 s SER 221 Cb 0.15 0.38 0.06 0.00 -1.71 0.00 0.00 66.02 64.89 2cc3 s SER 221 CO 0.89 -0.10 0.32 -0.47 1.20 0.00 0.00 173.24 175.08 2cc3 s TYR 222 N -0.07 -0.50 0.02 3.44 5.04 -1.26 -1.50 117.35 122.52 2cc3 s TYR 222 Ca -0.02 1.09 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 2cc3 s TYR 222 Cb -0.02 0.11 -0.01 0.00 0.35 0.00 0.00 41.96 42.39 2cc3 s TYR 222 CO 0.00 -0.34 0.05 -0.65 -1.34 0.00 0.00 175.55 173.27 2cc3 s GLN 223 N 1.92 0.47 -0.01 4.97 1.11 -1.07 -5.02 119.66 122.03 2cc3 s GLN 223 Ca -0.05 -0.66 0.03 0.00 0.01 0.00 0.00 55.36 54.69 2cc3 s GLN 223 Cb -0.11 0.18 -0.01 0.00 -1.01 0.00 0.00 33.01 32.06 2cc3 s GLN 223 CO -0.10 -0.10 -0.08 -0.08 0.01 0.00 0.00 175.29 174.93 2cc3 s THR 224 N -2.02 0.65 -0.05 -0.19 -1.32 -1.26 -0.69 115.64 110.76 2cc3 s THR 224 Ca -0.10 -0.36 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 2cc3 s THR 224 Cb -0.05 -0.55 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 2cc3 s THR 224 CO -0.02 0.18 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.52 2cc3 s SER 225 N -0.21 1.55 0.25 8.08 1.04 -0.72 -4.99 113.70 118.70 2cc3 s SER 225 Ca 0.03 -0.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 2cc3 s SER 225 Cb -0.03 -0.62 -0.09 0.00 0.10 0.00 0.00 66.02 65.38 2cc3 s SER 225 CO -0.00 0.04 0.94 -0.70 0.98 0.00 0.00 173.24 174.50 2cc3 s GLU 226 N 0.52 4.84 0.26 4.02 2.12 -1.26 -1.55 118.70 127.64 2cc3 s GLU 226 Ca -0.10 1.48 -0.29 0.00 0.36 0.00 0.00 54.97 56.42 2cc3 s GLU 226 Cb -0.13 -3.25 -0.14 0.00 0.26 0.00 0.00 34.13 30.86 2cc3 s GLU 226 CO 0.02 0.50 1.10 -0.25 -0.54 0.00 0.00 175.26 176.09 2cc3 n ASP 227 N 1.43 1.53 -4.72 -1.70 9.92 -0.02 -4.96 116.55 118.02 2cc3 n ASP 227 Ca -0.02 1.17 -0.42 0.00 -0.53 0.00 0.00 54.79 54.99 2cc3 n ASP 227 Cb 0.47 -1.29 -0.03 0.00 -0.64 0.00 0.00 41.12 39.63 2cc3 n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2cc3 s THR 228 N -0.74 3.97 -0.08 -3.53 -4.23 -1.26 -4.96 115.64 104.80 2cc3 s THR 228 Ca 0.63 1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 62.59 2cc3 s THR 228 Cb -0.73 -3.94 -0.03 0.00 1.34 0.00 0.00 72.50 69.14 2cc3 s THR 228 CO 0.57 0.15 0.03 0.68 -0.54 0.00 0.00 174.62 175.51 2cc3 s VAL 229 N 0.76 4.52 -0.18 2.29 -7.23 -1.26 -5.09 120.40 114.22 2cc3 s VAL 229 Ca 0.57 -0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 60.52 2cc3 s VAL 229 Cb -0.30 -2.94 0.04 0.00 0.56 0.00 0.00 36.38 33.75 2cc3 s VAL 229 CO 0.31 0.57 -0.07 -0.44 -0.31 0.00 0.00 175.10 175.16 2cc3 s SER 230 N -1.03 2.99 0.00 4.85 0.01 -1.26 -5.33 113.70 113.93 2cc3 s SER 230 Ca 0.15 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2cc3 s SER 230 Cb -0.11 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.12 2cc3 s SER 230 CO 0.04 -0.17 0.00 0.59 0.41 0.00 0.00 173.24 174.11