#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kmd s LEU 93 N 0.00 3.77 0.20 2.45 1.43 -1.26 -2.60 118.68 122.68 3kmd s LEU 93 Ca 0.00 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3kmd s LEU 93 Cb 0.00 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 3kmd s LEU 93 CO 0.00 0.17 0.44 -0.55 0.23 0.00 0.00 176.35 176.64 3kmd s SER 94 N -2.40 6.46 0.43 2.29 0.15 0.17 -4.90 113.70 115.90 3kmd s SER 94 Ca 0.29 0.59 0.28 0.00 0.70 0.00 0.00 55.95 57.81 3kmd s SER 94 Cb -0.12 -2.09 0.95 0.00 -1.71 0.00 0.00 66.02 63.05 3kmd s SER 94 CO 0.22 -0.05 1.81 0.28 1.20 0.00 0.00 173.24 176.70 3kmd h SER 95 N 2.28 0.00 -5.45 5.45 0.02 -1.82 -3.47 113.55 110.57 3kmd h SER 95 Ca -0.47 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.10 3kmd h SER 95 Cb 1.18 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 3kmd h SER 95 CO 0.69 0.00 -0.55 -0.94 -1.14 0.00 0.00 176.83 174.89 3kmd s SER 96 N -5.43 1.13 -0.10 3.07 1.04 -1.26 -5.15 113.70 107.01 3kmd s SER 96 Ca 0.04 -1.58 0.02 0.00 0.48 0.00 0.00 55.95 54.91 3kmd s SER 96 Cb 0.08 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.67 3kmd s SER 96 CO 0.56 -0.94 -0.14 -0.69 0.98 0.00 0.00 173.24 173.01 3kmd s VAL 97 N -3.73 1.35 0.31 5.02 1.01 -1.26 -4.79 120.40 118.31 3kmd s VAL 97 Ca 0.39 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3kmd s VAL 97 Cb 0.05 -1.24 -0.11 0.00 0.00 0.00 0.00 36.38 35.08 3kmd s VAL 97 CO 0.19 0.41 1.43 -2.84 0.00 0.00 0.00 175.10 174.30 3kmd s PRO 98 N 0.95 4.23 0.52 2.72 0.02 -1.26 -4.96 135.00 137.23 3kmd s PRO 98 Ca -0.08 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 63.10 3kmd s PRO 98 Cb -0.15 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.26 3kmd s PRO 98 CO -0.00 -0.41 1.34 0.45 -0.33 0.00 0.00 177.00 178.05 3kmd n SER 99 N 1.36 2.67 -0.10 2.53 2.88 -1.26 -4.93 113.62 116.77 3kmd n SER 99 Ca 0.03 1.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.59 3kmd n SER 99 Cb 0.40 -1.56 0.01 0.00 -0.75 0.00 0.00 64.21 62.31 3kmd n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kmd n GLN 100 N -0.79 -0.54 -1.67 -1.46 10.64 -1.26 -5.04 117.38 117.25 3kmd n GLN 100 Ca 0.09 -0.68 -0.50 0.00 -1.83 0.00 0.00 57.00 54.09 3kmd n GLN 100 Cb 0.44 -1.05 -0.05 0.00 -0.86 0.00 0.00 30.24 28.72 3kmd n GLN 100 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3kmd n LYS 101 N 0.12 1.87 -1.73 2.61 5.02 -1.26 -4.73 118.16 120.05 3kmd n LYS 101 Ca 0.01 0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 56.57 3kmd n LYS 101 Cb 0.07 -2.46 -0.02 0.00 -0.02 0.00 0.00 35.03 32.60 3kmd n LYS 101 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3kmd n THR 102 N 4.28 0.59 -3.36 -0.18 -1.04 -1.26 -4.71 114.28 108.60 3kmd n THR 102 Ca 0.21 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.05 61.93 3kmd n THR 102 Cb 0.25 -1.98 -0.08 0.00 -1.82 0.00 0.00 70.33 66.70 3kmd n THR 102 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3kmd s TYR 103 N 0.50 -0.66 0.23 -1.42 6.04 -0.01 -4.96 117.35 117.07 3kmd s TYR 103 Ca 0.69 -0.02 0.18 0.00 0.04 0.00 0.00 57.07 57.95 3kmd s TYR 103 Cb -0.50 -0.35 0.72 0.00 -1.04 0.00 0.00 41.96 40.79 3kmd s TYR 103 CO 0.42 -0.95 1.76 1.96 -1.54 0.00 0.00 175.55 177.20 3kmd h GLN 104 N 8.17 0.00 0.00 4.97 4.20 -1.77 0.27 115.11 130.95 3kmd h GLN 104 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3kmd h GLN 104 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3kmd h GLN 104 CO 0.30 0.38 0.00 0.41 -0.67 0.00 0.00 178.83 179.25 3kmd n GLY 105 N 0.05 -0.62 0.24 3.46 0.00 -1.26 -0.68 105.19 106.38 3kmd n GLY 105 Ca -0.01 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.05 3kmd n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kmd h SER 106 N 0.00 0.07 -0.28 1.61 0.02 -1.95 -2.76 113.55 110.26 3kmd h SER 106 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3kmd h SER 106 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3kmd h SER 106 CO 0.00 0.21 0.00 -1.22 -1.14 0.00 0.00 176.83 174.68 3kmd n TYR 107 N -4.35 0.36 -3.36 3.45 4.01 -1.26 -4.83 117.16 111.18 3kmd n TYR 107 Ca -0.02 -0.18 -0.16 0.00 -0.16 0.00 0.00 57.90 57.38 3kmd n TYR 107 Cb 0.22 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.33 3kmd n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kmd n GLY 108 N 1.30 -0.36 3.67 2.72 0.00 -1.04 0.19 105.19 111.67 3kmd n GLY 108 Ca 0.17 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 3kmd n GLY 108 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kmd s PHE 109 N -3.35 3.09 0.11 1.61 5.36 0.15 -3.10 117.98 121.85 3kmd s PHE 109 Ca 0.02 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.22 3kmd s PHE 109 Cb -0.00 -3.41 -0.04 0.00 -0.34 0.00 0.00 43.02 39.23 3kmd s PHE 109 CO 0.70 -1.25 -0.09 1.03 -1.46 0.00 0.00 175.22 174.15 3kmd s ARG 110 N 2.94 0.89 0.12 10.12 0.52 0.73 -4.37 118.95 129.90 3kmd s ARG 110 Ca 0.53 -1.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 3kmd s ARG 110 Cb -0.21 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 3kmd s ARG 110 CO 0.16 0.05 0.25 -0.51 0.02 0.00 0.00 175.30 175.26 3kmd s LEU 111 N -2.79 4.32 0.11 2.53 1.43 -1.26 -0.26 118.68 122.77 3kmd s LEU 111 Ca 0.10 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3kmd s LEU 111 Cb 0.01 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 3kmd s LEU 111 CO -0.01 0.10 -0.08 -0.83 0.23 0.00 0.00 176.35 175.76 3kmd s GLY 112 N -2.96 0.83 0.04 -3.19 0.00 -0.27 -4.89 107.32 96.89 3kmd s GLY 112 Ca 0.34 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.71 3kmd s GLY 112 CO 0.28 -1.46 -0.04 -1.36 0.00 0.00 0.00 173.10 170.52 3kmd s PHE 113 N -3.42 0.44 0.91 1.90 0.08 -1.26 -0.82 117.98 115.82 3kmd s PHE 113 Ca 0.12 -0.73 -0.11 0.00 0.12 0.00 0.00 56.93 56.33 3kmd s PHE 113 Cb 0.04 -0.31 0.14 0.00 -0.57 0.00 0.00 43.02 42.32 3kmd s PHE 113 CO -0.03 -0.23 1.09 -0.51 -0.10 0.00 0.00 175.22 175.44 3kmd s LEU 114 N -2.06 2.29 -0.15 -0.37 1.43 -1.26 -4.95 118.68 113.61 3kmd s LEU 114 Ca -0.06 1.66 0.09 0.00 -1.03 0.00 0.00 54.13 54.79 3kmd s LEU 114 Cb -0.03 -4.05 0.54 0.00 0.03 0.00 0.00 46.19 42.68 3kmd s LEU 114 CO -0.04 -2.82 1.33 1.41 0.23 0.00 0.00 176.35 176.46 3kmd n HIS 115 N -4.02 1.36 -1.46 0.29 8.25 -1.26 -4.56 115.22 113.82 3kmd n HIS 115 Ca 0.08 -0.47 -0.50 0.00 -0.26 0.00 0.00 57.72 56.56 3kmd n HIS 115 Cb 0.54 -0.36 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 3kmd n HIS 115 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kmd n SER 116 N 0.44 -0.49 -3.04 0.41 7.64 -1.26 -4.96 113.62 112.35 3kmd n SER 116 Ca 0.18 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.21 3kmd n SER 116 Cb 0.86 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3kmd n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kmd n GLY 117 N 1.82 -0.68 1.93 0.23 0.00 -1.26 -4.57 105.19 102.67 3kmd n GLY 117 Ca 0.17 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 3kmd n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kmd n THR 118 N -0.04 2.50 -1.66 2.61 -2.24 -1.26 -4.81 114.28 109.38 3kmd n THR 118 Ca 0.00 -4.15 -0.41 0.00 -2.27 0.00 0.00 64.05 57.22 3kmd n THR 118 Cb 0.00 -1.07 0.01 0.00 -2.10 0.00 0.00 70.33 67.17 3kmd n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kmd n ALA 119 N -0.74 0.82 -0.32 6.98 0.00 -1.26 -4.32 120.51 121.68 3kmd n ALA 119 Ca 0.42 0.25 0.04 0.00 0.00 0.00 0.00 53.44 54.16 3kmd n ALA 119 Cb 0.95 -2.19 0.11 0.00 0.00 0.00 0.00 19.45 18.32 3kmd n ALA 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kmd n LYS 120 N 0.07 -0.09 -0.64 0.00 3.00 -1.26 -1.43 118.16 117.80 3kmd n LYS 120 Ca 0.08 1.35 0.04 0.00 -0.00 0.00 0.00 58.31 59.78 3kmd n LYS 120 Cb 0.39 -2.02 0.21 0.00 0.00 0.00 0.00 35.03 33.61 3kmd n LYS 120 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3kmd n SER 121 N -5.40 1.87 -4.62 3.14 7.64 -1.26 -1.99 113.62 113.00 3kmd n SER 121 Ca 0.13 -3.88 -0.45 0.00 1.01 0.00 0.00 58.87 55.68 3kmd n SER 121 Cb 0.42 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 3kmd n SER 121 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3kmd n VAL 122 N -1.12 1.60 -0.04 0.44 3.14 -0.51 -4.84 118.33 117.00 3kmd n VAL 122 Ca 0.22 -0.40 -0.04 0.00 -2.96 0.00 0.00 64.34 61.16 3kmd n VAL 122 Cb 0.76 -1.18 0.19 0.00 -1.06 0.00 0.00 33.84 32.56 3kmd n VAL 122 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 3kmd h THR 123 N 2.42 1.25 -2.30 1.55 1.35 -1.92 -3.38 112.91 111.88 3kmd h THR 123 Ca -0.42 -1.11 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 3kmd h THR 123 Cb 1.32 1.12 -0.24 0.00 -1.73 0.00 0.00 68.15 68.61 3kmd h THR 123 CO 0.65 0.37 -0.22 0.00 -0.25 0.00 0.00 175.52 176.07 3kmd s THR 125 N 2.36 -0.01 -0.09 0.00 -1.32 0.49 -4.75 115.64 112.31 3kmd s THR 125 Ca -0.06 0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.44 3kmd s THR 125 Cb -0.10 -0.15 -0.03 0.00 -1.51 0.00 0.00 72.50 70.71 3kmd s THR 125 CO -0.16 0.01 -0.02 -0.47 -2.21 0.00 0.00 174.62 171.78 3kmd s TYR 126 N 0.24 3.09 -0.38 9.09 5.04 -1.26 -0.18 117.35 132.99 3kmd s TYR 126 Ca -0.02 0.10 -0.08 0.00 -2.44 0.00 0.00 57.07 54.64 3kmd s TYR 126 Cb -0.03 -1.79 0.06 0.00 0.35 0.00 0.00 41.96 40.55 3kmd s TYR 126 CO -0.01 0.38 0.18 0.45 -1.34 0.00 0.00 175.55 175.22 3kmd s SER 127 N -0.72 5.49 0.39 4.32 0.15 0.40 -4.93 113.70 118.80 3kmd s SER 127 Ca 0.11 -1.30 0.06 0.00 0.70 0.00 0.00 55.95 55.52 3kmd s SER 127 Cb -0.12 -1.93 0.78 0.00 -1.71 0.00 0.00 66.02 63.04 3kmd s SER 127 CO 0.02 -0.42 2.01 -0.65 1.20 0.00 0.00 173.24 175.40 3kmd h PRO 128 N 8.31 0.56 -0.74 5.44 0.11 -1.97 0.23 132.00 143.94 3kmd h PRO 128 Ca -0.23 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3kmd h PRO 128 Cb 1.08 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 3kmd h PRO 128 CO 0.67 0.42 0.23 0.00 -0.21 0.00 0.00 178.00 179.11 3kmd h ALA 129 N 1.67 1.01 -0.01 -0.75 0.00 -1.96 -3.03 119.26 116.20 3kmd h ALA 129 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kmd h ALA 129 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kmd h ALA 129 CO -0.02 0.66 -0.61 1.28 0.00 0.00 0.00 179.25 180.56 3kmd n LEU 130 N -4.25 1.72 -4.07 0.00 4.77 -1.04 -4.98 117.00 109.15 3kmd n LEU 130 Ca 0.06 -0.67 -0.34 0.00 -0.03 0.00 0.00 56.01 55.03 3kmd n LEU 130 Cb 0.23 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3kmd n LEU 130 CO 0.42 0.34 -0.28 -3.20 -1.33 0.00 0.00 177.39 173.34 3kmd n ASN 131 N -0.44 -1.61 -3.81 -1.43 5.15 0.76 -4.78 115.26 109.10 3kmd n ASN 131 Ca 0.08 -1.18 -0.17 0.00 -0.60 0.00 0.00 54.58 52.71 3kmd n ASN 131 Cb 0.43 -2.23 -0.16 0.00 -0.53 0.00 0.00 39.78 37.28 3kmd n ASN 131 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3kmd s LYS 132 N -7.00 0.26 -0.01 1.20 2.20 -0.96 -1.32 119.74 114.11 3kmd s LYS 132 Ca 0.20 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.73 3kmd s LYS 132 Cb -0.10 -0.46 -0.06 0.00 -1.51 0.00 0.00 37.83 35.71 3kmd s LYS 132 CO 0.95 -0.14 0.50 1.41 -0.36 0.00 0.00 175.35 177.70 3kmd s MET 133 N 1.06 4.16 -0.17 4.03 -2.45 0.61 -0.45 119.30 126.09 3kmd s MET 133 Ca -0.09 0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.91 3kmd s MET 133 Cb -0.13 -3.30 0.01 0.00 1.25 0.00 0.00 34.83 32.65 3kmd s MET 133 CO -0.02 0.49 -0.16 -0.06 1.05 0.00 0.00 175.02 176.32 3kmd s PHE 134 N -0.52 2.79 0.08 4.11 0.40 0.75 -0.82 117.98 124.78 3kmd s PHE 134 Ca 0.27 -1.25 -0.11 0.00 -0.60 0.00 0.00 56.93 55.24 3kmd s PHE 134 Cb -0.17 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.45 3kmd s PHE 134 CO 0.15 -0.60 0.26 0.00 0.70 0.00 0.00 175.22 175.72 3kmd s GLN 136 N -3.42 3.73 0.19 0.00 -0.21 -0.32 -1.06 119.66 118.57 3kmd s GLN 136 Ca 0.01 0.30 -0.33 0.00 0.02 0.00 0.00 55.36 55.36 3kmd s GLN 136 Cb 0.02 -2.49 -0.13 0.00 1.00 0.00 0.00 33.01 31.41 3kmd s GLN 136 CO -0.09 0.07 1.67 -0.11 -2.12 0.00 0.00 175.29 174.72 3kmd n LEU 137 N -1.11 3.68 0.00 2.90 0.00 -1.26 -2.32 117.00 118.89 3kmd n LEU 137 Ca 0.01 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.09 3kmd n LEU 137 Cb 0.54 -1.52 0.00 0.00 0.00 0.00 0.00 43.42 42.44 3kmd n LEU 137 CO 0.47 0.02 0.00 0.00 0.00 0.00 0.00 177.39 177.88 3kmd n ALA 138 N 3.78 0.00 -2.23 1.96 0.00 0.56 -4.98 120.51 119.60 3kmd n ALA 138 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 3kmd n ALA 138 Cb 0.33 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 3kmd n ALA 138 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kmd s LYS 139 N -0.52 3.59 0.10 0.00 -0.14 -0.98 -4.87 119.74 116.92 3kmd s LYS 139 Ca 0.00 0.29 -0.31 0.00 -1.36 0.00 0.00 55.97 54.59 3kmd s LYS 139 Cb 0.00 -2.36 -0.08 0.00 -1.68 0.00 0.00 37.83 33.71 3kmd s LYS 139 CO 0.00 -0.20 1.46 0.99 -0.76 0.00 0.00 175.35 176.85 3kmd s THR 140 N -2.70 3.22 -0.35 2.17 2.01 -1.26 -4.41 115.64 114.32 3kmd s THR 140 Ca 0.49 0.81 0.03 0.00 0.31 0.00 0.00 61.69 63.33 3kmd s THR 140 Cb -0.10 -3.52 0.10 0.00 0.01 0.00 0.00 72.50 68.99 3kmd s THR 140 CO 0.43 0.04 0.08 0.00 -0.69 0.00 0.00 174.62 174.48 3kmd s PRO 142 N 0.94 4.50 -0.09 0.00 0.02 -1.26 -1.44 135.00 137.67 3kmd s PRO 142 Ca 0.11 1.72 0.02 0.00 0.02 0.00 0.00 61.00 62.87 3kmd s PRO 142 Cb -0.19 -3.33 0.02 0.00 0.02 0.00 0.00 34.50 31.01 3kmd s PRO 142 CO -0.10 -0.11 -0.13 0.08 -0.33 0.00 0.00 177.00 176.40 3kmd s VAL 143 N 0.56 1.30 -0.05 3.83 1.01 0.33 -4.65 120.40 122.73 3kmd s VAL 143 Ca 0.55 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 3kmd s VAL 143 Cb -0.29 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3kmd s VAL 143 CO 0.31 0.40 0.46 -1.10 0.00 0.00 0.00 175.10 175.17 3kmd s GLN 144 N 0.96 4.16 -0.26 2.72 -0.21 0.00 -0.58 119.66 126.46 3kmd s GLN 144 Ca -0.08 0.46 -0.09 0.00 0.02 0.00 0.00 55.36 55.66 3kmd s GLN 144 Cb -0.15 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 3kmd s GLN 144 CO -0.00 0.42 0.13 -0.51 -2.12 0.00 0.00 175.29 173.21 3kmd s LEU 145 N -0.24 3.80 -0.09 2.90 1.43 0.33 -1.11 118.68 125.70 3kmd s LEU 145 Ca 0.25 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3kmd s LEU 145 Cb -0.16 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3kmd s LEU 145 CO 0.12 -0.01 -0.10 0.26 0.23 0.00 0.00 176.35 176.84 3kmd s TRP 146 N 1.52 2.84 0.03 0.29 0.52 0.65 -1.80 118.94 122.98 3kmd s TRP 146 Ca 0.06 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 55.95 3kmd s TRP 146 Cb -0.15 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3kmd s TRP 146 CO 0.07 0.10 -0.07 0.14 0.02 0.00 0.00 176.95 177.20 3kmd s VAL 147 N -0.33 0.50 0.16 4.03 -7.23 -1.26 -0.19 120.40 116.09 3kmd s VAL 147 Ca 0.04 -0.85 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 3kmd s VAL 147 Cb -0.13 -0.54 -0.11 0.00 0.56 0.00 0.00 36.38 36.16 3kmd s VAL 147 CO 0.02 -0.25 1.41 0.44 -0.31 0.00 0.00 175.10 176.42 3kmd h ASP 148 N 4.90 0.58 -5.11 4.85 3.32 -0.19 -3.46 116.42 121.31 3kmd h ASP 148 Ca -0.34 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.19 3kmd h ASP 148 Cb 1.20 -0.17 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 3kmd h ASP 148 CO 0.43 1.12 -0.69 -0.94 -1.72 0.00 0.00 179.24 177.45 3kmd s SER 149 N -7.00 0.45 -0.15 6.45 1.04 -1.13 -5.03 113.70 108.33 3kmd s SER 149 Ca -0.07 -0.82 -0.29 0.00 0.48 0.00 0.00 55.95 55.25 3kmd s SER 149 Cb 0.10 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3kmd s SER 149 CO 0.85 -0.48 1.18 -0.89 0.98 0.00 0.00 173.24 174.88 3kmd s THR 150 N -3.01 4.40 0.74 2.02 2.01 -1.26 -4.77 115.64 115.76 3kmd s THR 150 Ca -0.01 1.70 -0.13 0.00 0.31 0.00 0.00 61.69 63.56 3kmd s THR 150 Cb 0.01 -4.09 0.04 0.00 0.01 0.00 0.00 72.50 68.47 3kmd s THR 150 CO -0.06 -0.11 1.12 -2.84 -0.69 0.00 0.00 174.62 172.04 3kmd s PRO 151 N 3.05 2.31 0.73 4.92 0.02 -1.26 -4.98 135.00 139.79 3kmd s PRO 151 Ca 0.52 1.40 -0.15 0.00 0.02 0.00 0.00 61.00 62.79 3kmd s PRO 151 Cb -0.21 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.47 3kmd s PRO 151 CO 0.15 -1.63 1.21 -2.14 -0.33 0.00 0.00 177.00 174.25 3kmd s PRO 152 N -4.38 2.13 0.28 5.54 0.02 -1.26 -4.90 135.00 132.43 3kmd s PRO 152 Ca 0.66 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 63.14 3kmd s PRO 152 Cb -0.21 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.35 3kmd s PRO 152 CO 0.49 -1.84 1.29 -0.35 -0.33 0.00 0.00 177.00 176.25 3kmd n PRO 153 N -2.74 1.93 0.00 5.54 -0.04 -1.26 -2.02 135.00 136.41 3kmd n PRO 153 Ca 0.13 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3kmd n PRO 153 Cb 0.50 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3kmd n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kmd n GLY 154 N 1.45 0.78 3.77 0.55 0.00 -1.26 -4.89 105.19 105.60 3kmd n GLY 154 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kmd n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kmd s THR 155 N -2.22 2.30 0.25 2.61 2.01 -0.86 -3.08 115.64 116.66 3kmd s THR 155 Ca 0.00 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.40 3kmd s THR 155 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3kmd s THR 155 CO 0.00 0.07 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.69 3kmd s ARG 156 N -1.88 1.54 -0.17 4.92 0.52 0.24 -0.25 118.95 123.86 3kmd s ARG 156 Ca 0.52 -1.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.05 3kmd s ARG 156 Cb -0.44 -1.52 0.02 0.00 0.52 0.00 0.00 34.95 33.52 3kmd s ARG 156 CO 0.58 0.28 -0.20 0.08 0.02 0.00 0.00 175.30 176.06 3kmd s VAL 157 N -2.66 2.11 -0.02 3.52 1.01 0.72 -0.36 120.40 124.71 3kmd s VAL 157 Ca 0.27 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3kmd s VAL 157 Cb -0.03 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3kmd s VAL 157 CO 0.12 0.54 -0.15 -0.60 0.00 0.00 0.00 175.10 175.00 3kmd s ARG 158 N 1.13 2.39 -0.04 2.72 3.52 -0.12 -1.52 118.95 127.03 3kmd s ARG 158 Ca 0.01 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 3kmd s ARG 158 Cb -0.14 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 3kmd s ARG 158 CO -0.09 0.60 -0.24 0.00 -0.81 0.00 0.00 175.30 174.76 3kmd s ALA 159 N -0.79 2.03 -0.05 6.12 0.00 0.03 -0.70 121.76 128.41 3kmd s ALA 159 Ca 0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 3kmd s ALA 159 Cb -0.11 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3kmd s ALA 159 CO 0.02 0.43 0.13 1.41 0.00 0.00 0.00 175.76 177.76 3kmd s MET 160 N -0.31 0.15 -0.02 0.00 0.00 -0.70 -1.97 119.30 116.44 3kmd s MET 160 Ca 0.02 0.21 -0.06 0.00 0.00 0.00 0.00 55.69 55.86 3kmd s MET 160 Cb -0.12 0.04 -0.04 0.00 0.00 0.00 0.00 34.83 34.71 3kmd s MET 160 CO 0.02 -0.04 0.23 0.00 0.00 0.00 0.00 175.02 175.23 3kmd s ALA 161 N 0.22 3.88 0.08 4.11 0.00 -1.26 0.24 121.76 129.02 3kmd s ALA 161 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3kmd s ALA 161 Cb -0.02 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3kmd s ALA 161 CO -0.01 0.66 -0.07 0.96 0.00 0.00 0.00 175.76 177.31 3kmd s ILE 162 N -1.25 0.63 0.30 0.00 -4.36 -0.54 -4.50 121.20 111.47 3kmd s ILE 162 Ca 0.25 -1.65 -0.29 0.00 -0.26 0.00 0.00 60.65 58.70 3kmd s ILE 162 Cb -0.13 -1.32 -0.10 0.00 1.25 0.00 0.00 42.46 42.16 3kmd s ILE 162 CO 0.14 -0.71 1.29 -0.31 0.24 0.00 0.00 174.94 175.59 3kmd s TYR 163 N -2.88 3.15 0.06 1.37 2.02 -1.26 -0.35 117.35 119.47 3kmd s TYR 163 Ca 0.04 1.39 -0.15 0.00 -0.37 0.00 0.00 57.07 57.99 3kmd s TYR 163 Cb 0.00 -3.63 -0.28 0.00 -0.40 0.00 0.00 41.96 37.66 3kmd s TYR 163 CO -0.03 -1.75 1.13 -0.22 -1.57 0.00 0.00 175.55 173.10 3kmd h LYS 164 N 3.91 0.65 -6.54 -0.62 3.64 -1.64 -3.39 116.57 112.58 3kmd h LYS 164 Ca -0.48 -0.82 -0.53 0.00 -1.27 0.00 0.00 60.65 57.55 3kmd h LYS 164 Cb 1.22 0.26 0.03 0.00 -0.41 0.00 0.00 32.23 33.33 3kmd h LYS 164 CO 0.69 1.37 0.77 -0.65 -2.27 0.00 0.00 179.45 179.35 3kmd s GLN 165 N -3.07 4.30 0.39 1.90 -0.21 -1.26 -4.91 119.66 116.79 3kmd s GLN 165 Ca -0.09 2.13 0.12 0.00 0.02 0.00 0.00 55.36 57.53 3kmd s GLN 165 Cb 0.06 -3.27 0.93 0.00 1.00 0.00 0.00 33.01 31.73 3kmd s GLN 165 CO 0.93 -0.49 1.91 0.66 -2.12 0.00 0.00 175.29 176.18 3kmd h SER 166 N 6.93 0.52 1.03 5.90 4.64 -2.01 -0.39 113.55 130.17 3kmd h SER 166 Ca -0.42 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kmd h SER 166 Cb 1.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kmd h SER 166 CO 0.88 0.27 0.00 0.06 -0.87 0.00 0.00 176.83 177.17 3kmd h GLN 167 N 0.55 0.00 -0.01 4.77 -0.00 -1.96 -2.84 115.11 115.62 3kmd h GLN 167 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 3kmd h GLN 167 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.21 3kmd h GLN 167 CO -0.15 0.00 -0.54 0.72 -0.00 0.00 0.00 178.83 178.86 3kmd n HIS 168 N -2.35 0.00 -0.15 0.06 8.25 -0.19 -4.66 115.22 116.18 3kmd n HIS 168 Ca 0.03 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.64 3kmd n HIS 168 Cb 0.31 0.00 0.50 0.00 1.12 0.00 0.00 29.99 31.92 3kmd n HIS 168 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3kmd h MET 169 N 1.64 0.40 0.00 -0.41 2.86 -1.21 0.50 114.93 118.71 3kmd h MET 169 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kmd h MET 169 Cb 0.62 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3kmd h MET 169 CO 0.00 0.27 0.00 0.25 1.06 0.00 0.00 176.91 178.49 3kmd n THR 170 N -4.47 0.20 -2.77 2.22 -2.24 -1.26 -4.63 114.28 101.32 3kmd n THR 170 Ca 0.13 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3kmd n THR 170 Cb 0.50 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 3kmd n THR 170 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kmd s GLU 171 N -3.03 4.36 0.18 -0.78 2.12 0.16 0.44 118.70 122.15 3kmd s GLU 171 Ca 0.13 1.23 -0.32 0.00 0.36 0.00 0.00 54.97 56.37 3kmd s GLU 171 Cb 0.17 -3.56 -0.11 0.00 0.26 0.00 0.00 34.13 30.89 3kmd s GLU 171 CO 0.53 -0.35 1.64 0.08 -0.54 0.00 0.00 175.26 176.62 3kmd s VAL 172 N 2.17 2.39 -0.11 3.70 1.01 -1.07 -4.58 120.40 123.90 3kmd s VAL 172 Ca 0.44 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 3kmd s VAL 172 Cb -0.17 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3kmd s VAL 172 CO 0.14 0.02 1.11 -0.69 0.00 0.00 0.00 175.10 175.68 3kmd s VAL 173 N 1.23 4.53 0.23 2.92 1.01 -1.26 -4.82 120.40 124.23 3kmd s VAL 173 Ca 0.72 1.83 -0.08 0.00 0.00 0.00 0.00 61.98 64.45 3kmd s VAL 173 Cb -0.46 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 3kmd s VAL 173 CO 0.32 -0.04 0.33 0.00 0.00 0.00 0.00 175.10 175.71 3kmd s ARG 174 N 2.41 1.40 0.62 2.72 1.70 -1.26 -4.73 118.95 121.82 3kmd s ARG 174 Ca 0.51 -1.41 -0.16 0.00 -0.47 0.00 0.00 55.73 54.20 3kmd s ARG 174 Cb -0.20 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 3kmd s ARG 174 CO 0.17 -0.54 1.11 1.03 -1.08 0.00 0.00 175.30 175.99 3kmd s ARG 175 N -4.08 2.99 0.80 3.89 0.52 -0.84 -4.43 118.95 117.80 3kmd s ARG 175 Ca 0.29 1.43 -0.11 0.00 -0.52 0.00 0.00 55.73 56.82 3kmd s ARG 175 Cb 0.03 -1.97 0.07 0.00 0.52 0.00 0.00 34.95 33.60 3kmd s ARG 175 CO 0.10 -1.11 1.09 0.00 0.02 0.00 0.00 175.30 175.41 3kmd h PRO 177 N -1.24 0.59 0.07 0.00 0.11 -1.82 -0.04 132.00 129.68 3kmd h PRO 177 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kmd h PRO 177 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kmd h PRO 177 CO 0.52 0.39 -0.04 1.25 -0.21 0.00 0.00 178.00 179.91 3kmd h HIS 178 N 0.61 -0.09 -0.02 0.65 -0.00 -1.92 -2.78 115.15 111.60 3kmd h HIS 178 Ca 0.19 -0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.43 3kmd h HIS 178 Cb 0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 3kmd h HIS 178 CO -0.00 0.28 -0.62 0.45 -0.00 0.00 0.00 177.93 178.04 3kmd h HIS 179 N -0.48 0.09 -0.78 5.26 3.86 -1.87 -1.52 115.15 119.72 3kmd h HIS 179 Ca -0.01 -0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.27 3kmd h HIS 179 Cb 0.41 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.81 3kmd h HIS 179 CO 0.05 0.67 0.51 1.49 0.86 0.00 0.00 177.93 181.51 3kmd h GLU 180 N 0.05 0.65 0.00 2.45 4.81 -1.04 -2.97 114.58 118.53 3kmd h GLU 180 Ca -0.01 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 3kmd h GLU 180 Cb 1.10 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3kmd h GLU 180 CO 0.08 0.43 -1.51 0.54 -0.73 0.00 0.00 179.01 177.83 3kmd n ARG 181 N -4.50 0.63 -1.03 1.92 1.74 -0.88 -4.74 116.66 109.79 3kmd n ARG 181 Ca 0.13 0.19 -0.31 0.00 -0.77 0.00 0.00 57.85 57.10 3kmd n ARG 181 Cb 0.36 -1.77 0.13 0.00 -1.02 0.00 0.00 32.46 30.16 3kmd n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kmd n SER 183 N -3.90 6.66 0.00 0.00 7.64 -1.26 -4.62 113.62 118.13 3kmd n SER 183 Ca 0.09 -3.43 0.00 0.00 1.01 0.00 0.00 58.87 56.54 3kmd n SER 183 Cb 0.53 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3kmd n SER 183 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kmd n ASP 184 N 1.32 1.77 -4.77 6.43 5.68 -1.26 -5.04 116.55 120.67 3kmd n ASP 184 Ca 0.37 -1.83 -0.41 0.00 -0.50 0.00 0.00 54.79 52.43 3kmd n ASP 184 Cb 0.31 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.29 3kmd n ASP 184 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3kmd s SER 185 N -0.83 6.14 -0.01 -1.12 1.04 -1.26 -4.89 113.70 112.77 3kmd s SER 185 Ca 0.00 3.03 0.11 0.00 0.48 0.00 0.00 55.95 59.57 3kmd s SER 185 Cb 0.00 -2.66 0.34 0.00 0.10 0.00 0.00 66.02 63.79 3kmd s SER 185 CO 0.00 -1.01 1.26 -0.90 0.98 0.00 0.00 173.24 173.57 3kmd n ASP 186 N 0.20 2.14 0.00 7.02 3.85 -1.26 -4.87 116.55 123.62 3kmd n ASP 186 Ca 0.03 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 3kmd n ASP 186 Cb 0.40 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 3kmd n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kmd n GLY 187 N 1.02 2.33 0.07 6.12 0.00 -1.26 -4.78 105.19 108.68 3kmd n GLY 187 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 3kmd n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kmd n LEU 188 N 0.00 2.92 -4.80 0.99 4.77 -1.26 -5.03 117.00 114.59 3kmd n LEU 188 Ca 0.00 -0.05 -0.38 0.00 -0.03 0.00 0.00 56.01 55.55 3kmd n LEU 188 Cb 0.00 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 3kmd n LEU 188 CO 0.00 0.65 0.23 0.00 -1.33 0.00 0.00 177.39 176.94 3kmd s ALA 189 N -2.20 3.58 0.60 -1.18 0.00 -1.26 -4.88 121.76 116.42 3kmd s ALA 189 Ca -0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.60 3kmd s ALA 189 Cb 0.03 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 3kmd s ALA 189 CO 0.23 0.32 1.22 -2.14 0.00 0.00 0.00 175.76 175.39 3kmd s PRO 190 N -0.70 2.89 0.54 0.00 0.02 -1.26 -4.59 135.00 131.89 3kmd s PRO 190 Ca 0.28 1.87 0.29 0.00 0.02 0.00 0.00 61.00 63.46 3kmd s PRO 190 Cb -0.18 -1.91 1.51 0.00 0.02 0.00 0.00 34.50 33.94 3kmd s PRO 190 CO 0.16 -1.28 2.08 -1.35 -0.33 0.00 0.00 177.00 176.29 3kmd h PRO 191 N 0.81 0.00 -0.01 5.54 0.11 -1.97 -2.85 132.00 133.63 3kmd h PRO 191 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kmd h PRO 191 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kmd h PRO 191 CO 0.55 0.10 -0.29 0.00 -0.21 0.00 0.00 178.00 178.15 3kmd n GLN 192 N -3.54 1.11 -2.58 1.05 10.64 -1.26 -4.36 117.38 118.44 3kmd n GLN 192 Ca -0.02 -0.77 -0.42 0.00 -1.83 0.00 0.00 57.00 53.96 3kmd n GLN 192 Cb 0.23 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.10 3kmd n GLN 192 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 3kmd s HIS 193 N -2.42 3.40 0.05 2.61 3.76 -1.08 -1.99 115.29 119.61 3kmd s HIS 193 Ca 0.24 1.43 -0.22 0.00 -0.15 0.00 0.00 55.06 56.36 3kmd s HIS 193 Cb 0.19 -3.29 -0.14 0.00 1.11 0.00 0.00 32.58 30.45 3kmd s HIS 193 CO 0.51 -0.71 1.47 1.25 -0.85 0.00 0.00 174.74 176.40 3kmd h LEU 194 N 7.85 0.21 -8.99 0.89 5.85 -1.89 -3.44 115.31 115.79 3kmd h LEU 194 Ca -0.34 -0.32 -0.63 0.00 0.84 0.00 0.00 57.88 57.43 3kmd h LEU 194 Cb 1.17 -0.06 -0.16 0.00 0.37 0.00 0.00 40.66 41.98 3kmd h LEU 194 CO 0.85 0.48 -0.53 -0.63 -0.34 0.00 0.00 178.44 178.27 3kmd s ILE 195 N -4.92 5.18 0.23 4.05 1.01 -1.26 -1.18 121.20 124.30 3kmd s ILE 195 Ca -0.14 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.72 3kmd s ILE 195 Cb 0.05 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 3kmd s ILE 195 CO 0.71 0.33 -0.07 -0.13 0.00 0.00 0.00 174.94 175.78 3kmd s ARG 196 N 1.23 2.12 -0.15 2.79 0.52 -0.40 -4.71 118.95 120.33 3kmd s ARG 196 Ca 0.07 -1.38 -0.06 0.00 -0.52 0.00 0.00 55.73 53.84 3kmd s ARG 196 Cb -0.14 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 3kmd s ARG 196 CO 0.06 0.40 0.05 0.08 0.02 0.00 0.00 175.30 175.90 3kmd s VAL 197 N -2.04 4.72 -0.01 3.52 1.01 -1.26 -0.72 120.40 125.62 3kmd s VAL 197 Ca 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3kmd s VAL 197 Cb -0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3kmd s VAL 197 CO 0.17 0.51 0.18 -1.83 0.00 0.00 0.00 175.10 174.13 3kmd s GLU 198 N -0.04 3.44 -0.60 2.72 -1.05 -0.14 -4.61 118.70 118.41 3kmd s GLU 198 Ca 0.06 -0.32 -0.03 0.00 -0.15 0.00 0.00 54.97 54.52 3kmd s GLU 198 Cb -0.12 -3.09 0.00 0.00 -0.44 0.00 0.00 34.13 30.48 3kmd s GLU 198 CO 0.01 0.67 0.39 0.41 0.95 0.00 0.00 175.26 177.69 3kmd n GLY 199 N 0.93 0.27 2.70 -3.83 0.00 -1.26 -4.61 105.19 99.39 3kmd n GLY 199 Ca -0.11 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 3kmd n GLY 199 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kmd s ASN 200 N -3.02 1.85 0.60 1.61 3.84 -1.26 -5.01 114.94 113.55 3kmd s ASN 200 Ca 0.19 -0.51 0.38 0.00 0.21 0.00 0.00 52.86 53.14 3kmd s ASN 200 Cb -0.09 0.21 1.87 0.00 -0.55 0.00 0.00 41.25 42.69 3kmd s ASN 200 CO 0.24 -0.35 2.17 -0.07 -2.79 0.00 0.00 177.10 176.30 3kmd h LEU 201 N 8.33 0.00 -2.68 3.21 3.38 -1.97 -2.65 115.31 122.92 3kmd h LEU 201 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kmd h LEU 201 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3kmd h LEU 201 CO 0.31 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.39 3kmd n ARG 202 N -3.14 3.38 -2.10 1.13 1.74 -1.26 -4.95 116.66 111.46 3kmd n ARG 202 Ca -0.01 -2.37 -0.41 0.00 -0.77 0.00 0.00 57.85 54.29 3kmd n ARG 202 Cb 0.19 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 29.78 3kmd n ARG 202 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kmd s VAL 203 N -1.89 2.69 -0.02 1.55 0.11 -1.00 -4.59 120.40 117.25 3kmd s VAL 203 Ca 0.42 0.69 0.07 0.00 -2.93 0.00 0.00 61.98 60.23 3kmd s VAL 203 Cb 0.28 -3.44 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 3kmd s VAL 203 CO 0.19 0.16 -0.22 -1.61 -3.33 0.00 0.00 175.10 170.29 3kmd s GLU 204 N -1.71 1.78 -0.19 1.54 2.02 0.31 -4.99 118.70 117.47 3kmd s GLU 204 Ca 0.50 -0.79 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 3kmd s GLU 204 Cb -0.40 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 3kmd s GLU 204 CO 0.53 0.47 -0.04 0.71 0.02 0.00 0.00 175.26 176.95 3kmd s TYR 205 N -0.52 2.97 -0.09 1.61 2.02 -1.26 -1.08 117.35 121.00 3kmd s TYR 205 Ca 0.08 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3kmd s TYR 205 Cb -0.08 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3kmd s TYR 205 CO -0.01 -0.30 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.39 3kmd s LEU 206 N 0.93 2.90 -0.45 -1.29 2.96 0.17 -4.98 118.68 118.93 3kmd s LEU 206 Ca -0.00 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3kmd s LEU 206 Cb -0.15 -1.63 0.12 0.00 0.50 0.00 0.00 46.19 45.03 3kmd s LEU 206 CO 0.01 0.28 0.21 -0.62 -1.32 0.00 0.00 176.35 174.92 3kmd s ASP 207 N -0.35 4.97 0.08 3.68 3.68 -1.26 -1.36 116.67 126.11 3kmd s ASP 207 Ca 0.04 -2.37 -0.31 0.00 2.13 0.00 0.00 52.55 52.05 3kmd s ASP 207 Cb -0.12 -1.75 -0.09 0.00 -1.45 0.00 0.00 42.92 39.51 3kmd s ASP 207 CO 0.02 -0.42 1.78 -0.62 0.13 0.00 0.00 175.17 176.06 3kmd s ASP 208 N 1.03 6.50 0.44 -0.34 -1.08 -0.53 -4.87 116.67 117.83 3kmd s ASP 208 Ca 0.12 2.62 0.22 0.00 -0.52 0.00 0.00 52.55 54.99 3kmd s ASP 208 Cb -0.22 -2.56 1.03 0.00 -1.46 0.00 0.00 42.92 39.72 3kmd s ASP 208 CO -0.05 -0.97 1.91 0.03 0.52 0.00 0.00 175.17 176.61 3kmd h ARG 209 N 8.83 0.00 0.04 4.34 -0.00 -1.96 0.13 114.38 125.76 3kmd h ARG 209 Ca -0.45 0.00 -0.38 0.00 -0.50 0.00 0.00 59.98 58.65 3kmd h ARG 209 Cb 1.21 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.13 3kmd h ARG 209 CO 0.94 0.25 -2.28 0.09 0.00 0.00 0.00 179.97 178.97 3kmd n ASN 210 N -3.69 2.02 0.03 7.04 3.02 -1.26 -4.56 115.26 117.85 3kmd n ASN 210 Ca -0.01 0.05 0.11 0.00 -0.03 0.00 0.00 54.58 54.70 3kmd n ASN 210 Cb 0.36 -0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 3kmd n ASN 210 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kmd n THR 211 N -3.50 0.20 -0.96 3.41 -2.24 -1.24 -4.61 114.28 105.34 3kmd n THR 211 Ca -0.42 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3kmd n THR 211 Cb 0.98 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3kmd n THR 211 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3kmd n PHE 212 N -2.33 0.00 -2.68 4.78 3.72 0.45 -4.25 117.46 117.15 3kmd n PHE 212 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 3kmd n PHE 212 Cb 0.54 -0.72 -0.06 0.00 -0.94 0.00 0.00 39.48 38.31 3kmd n PHE 212 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kmd s ARG 213 N -0.68 4.66 0.20 -1.08 1.81 -1.26 -4.66 118.95 117.95 3kmd s ARG 213 Ca 0.00 1.51 -0.15 0.00 -1.72 0.00 0.00 55.73 55.37 3kmd s ARG 213 Cb 0.00 -3.04 -0.08 0.00 -0.45 0.00 0.00 34.95 31.38 3kmd s ARG 213 CO 0.00 0.32 0.61 -1.01 -0.68 0.00 0.00 175.30 174.54 3kmd s HIS 214 N -1.36 3.54 0.16 -0.53 3.76 -1.26 -1.45 115.29 118.16 3kmd s HIS 214 Ca 0.46 1.12 -0.16 0.00 -0.15 0.00 0.00 55.06 56.32 3kmd s HIS 214 Cb -0.25 -2.43 0.03 0.00 1.11 0.00 0.00 32.58 31.05 3kmd s HIS 214 CO 0.31 0.33 0.46 -1.54 -0.85 0.00 0.00 174.74 173.44 3kmd s SER 215 N -1.91 -0.24 -0.06 1.40 1.04 -0.46 -4.59 113.70 108.87 3kmd s SER 215 Ca 0.43 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.46 3kmd s SER 215 Cb -0.14 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.52 3kmd s SER 215 CO 0.20 -0.96 -0.13 0.54 0.98 0.00 0.00 173.24 173.87 3kmd s VAL 216 N -3.85 1.15 -0.01 5.02 0.11 -0.83 -0.66 120.40 121.33 3kmd s VAL 216 Ca 0.07 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.65 3kmd s VAL 216 Cb 0.00 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3kmd s VAL 216 CO -0.07 0.36 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.26 3kmd s VAL 217 N 0.57 0.86 0.12 2.04 1.01 -0.24 -0.79 120.40 123.97 3kmd s VAL 217 Ca -0.13 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3kmd s VAL 217 Cb -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3kmd s VAL 217 CO 0.03 0.25 -0.10 0.68 0.00 0.00 0.00 175.10 175.96 3kmd s VAL 218 N -0.21 1.02 0.35 2.92 -7.23 -0.57 -0.53 120.40 116.15 3kmd s VAL 218 Ca 0.03 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 3kmd s VAL 218 Cb -0.05 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 3kmd s VAL 218 CO -0.00 -0.69 1.30 -2.84 -0.31 0.00 0.00 175.10 172.56 3kmd s PRO 219 N -3.40 4.27 0.19 4.82 0.02 -1.26 -0.20 135.00 139.43 3kmd s PRO 219 Ca 0.12 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 3kmd s PRO 219 Cb 0.01 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.45 3kmd s PRO 219 CO -0.00 -0.25 1.16 -0.47 -0.33 0.00 0.00 177.00 177.11 3kmd s TYR 220 N -1.17 3.48 -0.13 6.54 5.04 0.65 -4.71 117.35 127.05 3kmd s TYR 220 Ca 0.51 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.65 3kmd s TYR 220 Cb -0.39 -3.38 0.01 0.00 0.35 0.00 0.00 41.96 38.55 3kmd s TYR 220 CO 0.52 -0.99 -0.18 -1.21 -1.34 0.00 0.00 175.55 172.35 3kmd s GLU 221 N -0.33 2.58 0.95 4.97 0.41 -1.26 -4.80 118.70 121.22 3kmd s GLU 221 Ca 0.51 -0.69 -0.11 0.00 -0.41 0.00 0.00 54.97 54.27 3kmd s GLU 221 Cb -0.32 -2.15 0.16 0.00 -1.78 0.00 0.00 34.13 30.05 3kmd s GLU 221 CO 0.36 -0.06 1.10 -1.25 -0.49 0.00 0.00 175.26 174.93 3kmd s PRO 222 N 0.96 0.77 0.75 0.39 0.04 -1.26 -4.76 135.00 131.89 3kmd s PRO 222 Ca -0.06 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 3kmd s PRO 222 Cb -0.15 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.71 3kmd s PRO 222 CO -0.03 -2.69 1.11 -1.25 0.04 0.00 0.00 177.00 174.18 3kmd s PRO 223 N -4.69 2.47 0.51 0.56 0.05 -1.26 -4.96 135.00 127.69 3kmd s PRO 223 Ca 0.66 0.48 -0.22 0.00 0.05 0.00 0.00 61.00 61.97 3kmd s PRO 223 Cb -0.22 -1.98 -0.06 0.00 0.05 0.00 0.00 34.50 32.30 3kmd s PRO 223 CO 0.59 -1.31 1.23 -1.21 0.05 0.00 0.00 177.00 176.35 3kmd s GLU 224 N -5.31 3.42 0.63 4.56 2.02 -1.26 -4.86 118.70 117.90 3kmd s GLU 224 Ca 0.60 1.93 0.25 0.00 0.02 0.00 0.00 54.97 57.77 3kmd s GLU 224 Cb -0.12 -2.27 1.26 0.00 0.10 0.00 0.00 34.13 33.10 3kmd s GLU 224 CO 0.52 -0.87 1.70 -0.39 0.02 0.00 0.00 175.26 176.25 3kmd h VAL 225 N 1.56 0.15 0.00 2.63 -1.51 -2.04 0.61 116.25 117.64 3kmd h VAL 225 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3kmd h VAL 225 Cb 1.27 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3kmd h VAL 225 CO 0.58 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.53 3kmd n GLY 226 N -1.45 -1.91 3.54 5.19 0.00 -1.26 -4.90 105.19 104.39 3kmd n GLY 226 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3kmd n GLY 226 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kmd n SER 227 N -1.41 -0.38 -0.08 1.61 7.64 0.20 -4.98 113.62 116.22 3kmd n SER 227 Ca 0.00 0.64 0.05 0.00 1.01 0.00 0.00 58.87 60.57 3kmd n SER 227 Cb 0.00 -1.30 -0.04 0.00 -1.01 0.00 0.00 64.21 61.86 3kmd n SER 227 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kmd n ASP 228 N -0.86 0.73 -3.54 6.43 8.00 -1.26 -4.50 116.55 121.55 3kmd n ASP 228 Ca 0.12 -0.87 -0.12 0.00 0.71 0.00 0.00 54.79 54.63 3kmd n ASP 228 Cb 0.49 0.83 -0.04 0.00 -0.02 0.00 0.00 41.12 42.38 3kmd n ASP 228 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kmd s THR 230 N -3.37 4.56 -0.18 0.00 2.01 -0.75 -4.67 115.64 113.25 3kmd s THR 230 Ca -0.00 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 3kmd s THR 230 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3kmd s THR 230 CO -0.09 0.51 0.04 -0.89 -0.69 0.00 0.00 174.62 173.50 3kmd s THR 231 N 0.04 4.61 -0.00 -0.82 2.01 -1.26 0.12 115.64 120.34 3kmd s THR 231 Ca 0.04 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.97 3kmd s THR 231 Cb -0.12 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 3kmd s THR 231 CO 0.01 0.47 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.72 3kmd s ILE 232 N 0.35 3.66 -0.31 1.82 1.01 0.26 -4.94 121.20 123.04 3kmd s ILE 232 Ca 0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3kmd s ILE 232 Cb -0.13 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.80 3kmd s ILE 232 CO 0.01 0.40 0.04 -1.00 0.00 0.00 0.00 174.94 174.39 3kmd s HIS 233 N -0.99 3.24 0.14 3.97 3.76 -1.26 -0.52 115.29 123.63 3kmd s HIS 233 Ca 0.17 -1.64 0.01 0.00 -0.15 0.00 0.00 55.06 53.45 3kmd s HIS 233 Cb -0.11 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 3kmd s HIS 233 CO 0.07 -0.76 0.30 0.71 -0.85 0.00 0.00 174.74 174.21 3kmd s TYR 234 N 1.33 3.49 -0.07 1.40 2.02 -0.52 -0.96 117.35 124.04 3kmd s TYR 234 Ca -0.03 0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.95 3kmd s TYR 234 Cb -0.19 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3kmd s TYR 234 CO 0.00 0.49 -0.20 -0.80 -1.57 0.00 0.00 175.55 173.48 3kmd s ASN 235 N -2.98 2.55 -0.21 2.29 0.02 0.10 -0.53 114.94 116.19 3kmd s ASN 235 Ca 0.36 -0.44 -0.08 0.00 -1.02 0.00 0.00 52.86 51.68 3kmd s ASN 235 Cb -0.12 -0.95 -0.04 0.00 0.02 0.00 0.00 41.25 40.17 3kmd s ASN 235 CO 0.28 0.15 0.08 -0.31 0.02 0.00 0.00 177.10 177.32 3kmd s TYR 236 N 0.22 3.22 -1.55 2.20 1.51 -1.26 -1.28 117.35 120.41 3kmd s TYR 236 Ca -0.11 -0.00 0.19 0.00 -1.01 0.00 0.00 57.07 56.14 3kmd s TYR 236 Cb -0.15 -2.14 0.57 0.00 -0.11 0.00 0.00 41.96 40.13 3kmd s TYR 236 CO 0.05 0.03 1.48 -1.33 -1.11 0.00 0.00 175.55 174.67 3kmd n MET 237 N 3.95 2.91 -4.02 -0.62 2.81 -0.33 -0.32 117.12 121.50 3kmd n MET 237 Ca -0.16 -2.55 -0.08 0.00 -1.81 0.00 0.00 57.70 53.10 3kmd n MET 237 Cb 0.52 -1.54 -0.10 0.00 -0.71 0.00 0.00 33.22 31.39 3kmd n MET 237 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kmd s ASN 239 N -2.28 6.33 0.54 0.00 0.02 -1.26 -4.77 114.94 113.51 3kmd s ASN 239 Ca -0.03 1.85 0.26 0.00 -1.02 0.00 0.00 52.86 53.93 3kmd s ASN 239 Cb 0.00 -2.55 1.43 0.00 0.02 0.00 0.00 41.25 40.15 3kmd s ASN 239 CO -0.06 -0.79 1.98 0.28 0.02 0.00 0.00 177.10 178.53 3kmd h SER 240 N 1.34 0.00 0.69 -1.22 0.02 -1.02 -2.03 113.55 111.32 3kmd h SER 240 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3kmd h SER 240 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3kmd h SER 240 CO 0.59 0.00 -0.16 -1.54 -1.14 0.00 0.00 176.83 174.58 3kmd n SER 241 N -4.29 0.24 -4.68 3.07 3.41 -1.26 0.10 113.62 110.21 3kmd n SER 241 Ca 0.10 0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.20 3kmd n SER 241 Cb 0.64 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3kmd n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kmd s MET 243 N 3.40 4.58 0.00 0.00 0.23 -1.26 -0.78 119.30 125.47 3kmd s MET 243 Ca 0.93 1.88 0.00 0.00 -1.03 0.00 0.00 55.69 57.47 3kmd s MET 243 Cb -0.83 -3.17 0.00 0.00 -1.53 0.00 0.00 34.83 29.30 3kmd s MET 243 CO 0.55 0.13 0.00 0.41 -2.03 0.00 0.00 175.02 174.07 3kmd n GLY 244 N 1.17 1.47 0.00 3.16 0.00 -1.26 -4.62 105.19 105.11 3kmd n GLY 244 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kmd n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kmd n GLY 245 N -2.00 2.09 0.28 -0.02 0.00 -0.84 -4.44 105.19 100.27 3kmd n GLY 245 Ca 0.00 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.13 3kmd n GLY 245 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kmd h MET 246 N 0.00 0.00 -6.62 1.61 2.07 -1.76 -3.46 114.93 106.77 3kmd h MET 246 Ca 0.00 0.00 -0.53 0.00 -2.07 0.00 0.00 59.70 57.10 3kmd h MET 246 Cb 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 31.60 29.60 3kmd h MET 246 CO 0.00 0.07 -0.85 -1.71 1.07 0.00 0.00 176.91 175.48 3kmd n ASN 247 N -3.36 -2.09 -0.11 1.22 4.05 0.04 -0.51 115.26 114.49 3kmd n ASN 247 Ca -0.01 -1.00 -0.01 0.00 0.45 0.00 0.00 54.58 54.00 3kmd n ASN 247 Cb 0.22 -2.94 -0.01 0.00 1.23 0.00 0.00 39.78 38.29 3kmd n ASN 247 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3kmd n ARG 248 N -4.42 -0.64 -3.27 1.20 1.74 0.28 -4.94 116.66 106.61 3kmd n ARG 248 Ca -0.10 0.29 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 3kmd n ARG 248 Cb 0.58 -3.86 -0.06 0.00 -1.02 0.00 0.00 32.46 28.10 3kmd n ARG 248 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kmd s ARG 249 N -1.08 4.34 0.54 5.56 0.52 0.34 -4.94 118.95 124.23 3kmd s ARG 249 Ca 0.00 0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 55.53 3kmd s ARG 249 Cb 0.00 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 3kmd s ARG 249 CO 0.00 0.18 1.26 -2.14 0.02 0.00 0.00 175.30 174.62 3kmd s PRO 250 N 0.53 3.23 0.26 3.54 0.02 -1.26 -4.93 135.00 136.38 3kmd s PRO 250 Ca 0.28 2.00 0.09 0.00 0.02 0.00 0.00 61.00 63.38 3kmd s PRO 250 Cb -0.16 -2.19 -0.05 0.00 0.02 0.00 0.00 34.50 32.12 3kmd s PRO 250 CO 0.12 -1.05 -0.13 0.96 -0.33 0.00 0.00 177.00 176.57 3kmd s ILE 251 N -1.45 1.95 -0.00 2.83 -4.36 -1.24 -1.74 121.20 117.19 3kmd s ILE 251 Ca 0.72 -2.24 0.04 0.00 -0.26 0.00 0.00 60.65 58.90 3kmd s ILE 251 Cb -0.35 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 3kmd s ILE 251 CO 0.40 -0.43 -0.09 -0.76 0.24 0.00 0.00 174.94 174.29 3kmd s LEU 252 N -3.43 3.04 -0.21 0.37 1.43 0.53 -1.39 118.68 119.01 3kmd s LEU 252 Ca 0.27 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3kmd s LEU 252 Cb -0.00 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3kmd s LEU 252 CO 0.11 0.29 0.13 -0.89 0.23 0.00 0.00 176.35 176.22 3kmd s THR 253 N -0.95 5.26 -0.24 5.49 2.01 0.73 -1.47 115.64 126.47 3kmd s THR 253 Ca 0.16 0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.22 3kmd s THR 253 Cb -0.11 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3kmd s THR 253 CO 0.06 0.40 0.07 -0.63 -0.69 0.00 0.00 174.62 173.83 3kmd s ILE 254 N 0.68 4.37 -0.24 1.82 1.01 0.14 -1.70 121.20 127.26 3kmd s ILE 254 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3kmd s ILE 254 Cb -0.12 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3kmd s ILE 254 CO 0.01 0.35 0.07 -0.63 0.00 0.00 0.00 174.94 174.74 3kmd s ILE 255 N 1.47 4.34 -0.02 2.92 -1.09 0.38 -1.72 121.20 127.48 3kmd s ILE 255 Ca 0.06 -0.16 0.07 0.00 -2.23 0.00 0.00 60.65 58.38 3kmd s ILE 255 Cb -0.15 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 3kmd s ILE 255 CO 0.04 0.35 -0.23 0.42 -1.23 0.00 0.00 174.94 174.29 3kmd s THR 256 N 1.53 2.36 -0.21 2.92 -4.23 0.13 -1.30 115.64 116.84 3kmd s THR 256 Ca 0.06 -1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 59.40 3kmd s THR 256 Cb -0.15 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 3kmd s THR 256 CO 0.04 0.56 0.35 -0.22 -0.54 0.00 0.00 174.62 174.81 3kmd s LEU 257 N -0.71 4.15 0.15 4.79 2.96 -0.10 -0.95 118.68 128.98 3kmd s LEU 257 Ca 0.11 0.43 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 3kmd s LEU 257 Cb -0.10 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 3kmd s LEU 257 CO -0.00 -0.05 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.20 3kmd s GLU 258 N 1.25 1.21 0.78 1.98 2.02 0.52 0.06 118.70 126.53 3kmd s GLU 258 Ca 0.17 -1.36 -0.13 0.00 0.02 0.00 0.00 54.97 53.67 3kmd s GLU 258 Cb -0.14 -1.25 0.18 0.00 0.10 0.00 0.00 34.13 33.02 3kmd s GLU 258 CO 0.07 0.25 1.07 -0.40 0.02 0.00 0.00 175.26 176.27 3kmd n ASP 259 N 0.39 0.11 0.25 -0.19 5.68 -0.61 0.79 116.55 122.96 3kmd n ASP 259 Ca -0.14 -1.40 0.17 0.00 -0.50 0.00 0.00 54.79 52.92 3kmd n ASP 259 Cb 0.57 -0.81 0.76 0.00 -1.14 0.00 0.00 41.12 40.50 3kmd n ASP 259 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kmd h SER 260 N -1.39 0.00 0.48 -1.12 4.64 -1.88 -0.28 113.55 114.01 3kmd h SER 260 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3kmd h SER 260 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3kmd h SER 260 CO 0.25 0.00 -0.39 -1.20 -0.87 0.00 0.00 176.83 174.62 3kmd n SER 261 N -2.83 0.56 0.00 4.97 7.64 -1.26 -4.94 113.62 117.76 3kmd n SER 261 Ca -0.00 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.55 3kmd n SER 261 Cb 0.21 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3kmd n SER 261 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kmd n GLY 262 N 1.46 0.82 3.80 0.23 0.00 -0.11 -5.07 105.19 106.31 3kmd n GLY 262 Ca 0.07 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kmd n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kmd s ASN 263 N -2.07 6.38 0.01 1.61 0.01 -1.26 -4.76 114.94 114.86 3kmd s ASN 263 Ca 0.00 1.90 -0.30 0.00 -0.71 0.00 0.00 52.86 53.74 3kmd s ASN 263 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 3kmd s ASN 263 CO 0.00 -0.76 1.24 -0.22 -1.51 0.00 0.00 177.10 175.85 3kmd s LEU 264 N -3.51 4.33 -0.07 0.60 1.98 -1.26 -1.58 118.68 119.16 3kmd s LEU 264 Ca 0.67 1.97 0.07 0.00 -2.89 0.00 0.00 54.13 53.95 3kmd s LEU 264 Cb -0.16 -3.57 -0.10 0.00 0.66 0.00 0.00 46.19 43.03 3kmd s LEU 264 CO 0.20 -0.56 0.04 0.18 -1.89 0.00 0.00 176.35 174.32 3kmd n LEU 265 N 4.64 0.00 -3.59 -0.68 4.77 0.11 -4.90 117.00 117.35 3kmd n LEU 265 Ca 0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 3kmd n LEU 265 Cb 0.46 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 3kmd n LEU 265 CO 0.56 0.18 0.97 -0.83 -1.33 0.00 0.00 177.39 176.95 3kmd s GLY 266 N -3.91 -0.32 -0.16 -0.72 0.00 -1.08 -4.22 107.32 96.91 3kmd s GLY 266 Ca -0.04 1.44 -0.16 0.00 0.00 0.00 0.00 44.72 45.96 3kmd s GLY 266 CO 0.33 0.47 0.44 -1.60 0.00 0.00 0.00 173.10 172.74 3kmd s ARG 267 N -2.51 0.53 0.20 2.90 3.52 0.95 -0.92 118.95 123.62 3kmd s ARG 267 Ca 0.09 0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 56.23 3kmd s ARG 267 Cb -0.01 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.62 3kmd s ARG 267 CO -0.05 -0.07 0.24 -0.80 -0.81 0.00 0.00 175.30 173.82 3kmd s ASN 268 N 0.19 0.09 0.17 -2.12 -0.87 -0.42 -0.83 114.94 111.15 3kmd s ASN 268 Ca -0.00 -1.14 -0.19 0.00 -1.57 0.00 0.00 52.86 49.96 3kmd s ASN 268 Cb -0.03 0.43 0.04 0.00 -0.02 0.00 0.00 41.25 41.67 3kmd s ASN 268 CO 0.01 -0.91 0.52 -0.94 -2.57 0.00 0.00 177.10 173.20 3kmd s SER 269 N -3.07 -0.32 0.03 -1.22 1.04 -1.26 -0.47 113.70 108.43 3kmd s SER 269 Ca 0.28 -0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 3kmd s SER 269 Cb 0.04 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.76 3kmd s SER 269 CO 0.07 -1.00 0.40 0.72 0.98 0.00 0.00 173.24 174.41 3kmd s PHE 270 N -3.83 -0.25 0.49 5.02 -0.71 -0.69 -4.99 117.98 113.01 3kmd s PHE 270 Ca 0.06 0.24 -0.18 0.00 -1.04 0.00 0.00 56.93 56.00 3kmd s PHE 270 Cb -0.01 0.20 -0.09 0.00 -1.21 0.00 0.00 43.02 41.92 3kmd s PHE 270 CO -0.07 -0.55 0.98 -2.00 -1.34 0.00 0.00 175.22 172.24 3kmd s GLU 271 N -2.32 4.03 -0.03 1.99 2.12 -0.44 -0.19 118.70 123.86 3kmd s GLU 271 Ca -0.06 1.02 0.02 0.00 0.36 0.00 0.00 54.97 56.31 3kmd s GLU 271 Cb -0.01 -2.15 0.01 0.00 0.26 0.00 0.00 34.13 32.24 3kmd s GLU 271 CO -0.01 -0.21 -0.07 0.08 -0.54 0.00 0.00 175.26 174.51 3kmd s VAL 272 N -2.46 0.64 -0.19 3.70 1.01 -0.49 -0.29 120.40 122.32 3kmd s VAL 272 Ca 0.60 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3kmd s VAL 272 Cb -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.71 3kmd s VAL 272 CO 0.25 0.22 -0.18 -0.60 0.00 0.00 0.00 175.10 174.79 3kmd s ARG 273 N 0.41 2.89 -0.25 2.72 3.52 0.00 -3.73 118.95 124.53 3kmd s ARG 273 Ca -0.06 -0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 54.51 3kmd s ARG 273 Cb -0.10 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.60 3kmd s ARG 273 CO 0.00 -0.27 0.25 0.08 -0.81 0.00 0.00 175.30 174.56 3kmd s VAL 274 N 1.27 5.28 0.24 7.11 1.01 -1.26 -1.53 120.40 132.52 3kmd s VAL 274 Ca 0.03 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 3kmd s VAL 274 Cb -0.14 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.68 3kmd s VAL 274 CO -0.11 0.27 0.63 0.00 0.00 0.00 0.00 175.10 175.89 3kmd h ALA 276 N 2.07 0.67 -2.61 0.00 0.00 -1.97 -3.33 119.26 114.10 3kmd h ALA 276 Ca -0.24 -0.60 -0.60 0.00 0.00 0.00 0.00 54.91 53.46 3kmd h ALA 276 Cb 1.26 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.58 3kmd h ALA 276 CO 0.30 0.78 -0.76 0.00 0.00 0.00 0.00 179.25 179.56 3kmd h PRO 278 N 5.15 0.51 -0.25 0.00 0.11 -1.73 -1.13 132.00 134.67 3kmd h PRO 278 Ca 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3kmd h PRO 278 Cb 0.80 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3kmd h PRO 278 CO 0.59 0.34 0.13 0.78 -0.21 0.00 0.00 178.00 179.63 3kmd h GLY 279 N 0.53 0.38 0.67 -0.55 0.00 -1.39 0.95 103.07 103.66 3kmd h GLY 279 Ca 0.27 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.46 3kmd h GLY 279 CO -0.21 0.17 -0.02 -0.09 0.00 0.00 0.00 176.54 176.39 3kmd h ARG 280 N 0.28 0.04 -0.16 4.80 2.43 -1.24 -2.04 114.38 118.49 3kmd h ARG 280 Ca 0.09 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 3kmd h ARG 280 Cb 0.09 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3kmd h ARG 280 CO -0.01 0.03 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.49 3kmd h ASP 281 N 0.04 0.53 -0.22 -3.80 3.32 -1.03 -1.61 116.42 113.65 3kmd h ASP 281 Ca 0.09 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3kmd h ASP 281 Cb 0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3kmd h ASP 281 CO -0.17 0.97 0.09 -0.09 -1.72 0.00 0.00 179.24 178.32 3kmd h ARG 282 N 0.37 0.32 -0.51 3.56 2.43 -0.71 -1.86 114.38 117.97 3kmd h ARG 282 Ca 0.01 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3kmd h ARG 282 Cb 1.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3kmd h ARG 282 CO 0.10 0.36 0.08 0.00 -1.51 0.00 0.00 179.97 179.00 3kmd h ARG 283 N 0.20 0.81 -0.08 0.20 3.08 -1.19 -0.99 114.38 116.41 3kmd h ARG 283 Ca 0.07 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kmd h ARG 283 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3kmd h ARG 283 CO -0.01 0.76 0.05 1.15 -1.07 0.00 0.00 179.97 180.85 3kmd h THR 284 N 0.77 1.03 -0.32 2.04 2.02 -1.12 -0.43 112.91 116.91 3kmd h THR 284 Ca 0.16 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 3kmd h THR 284 Cb 0.35 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3kmd h THR 284 CO 0.01 0.03 -0.24 -0.33 0.37 0.00 0.00 175.52 175.36 3kmd h GLU 285 N 0.09 0.62 -0.60 6.66 5.08 -1.09 -1.56 114.58 123.78 3kmd h GLU 285 Ca 0.03 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 3kmd h GLU 285 Cb 0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kmd h GLU 285 CO -0.01 0.80 -0.02 0.93 -1.00 0.00 0.00 179.01 179.72 3kmd h GLU 286 N 0.54 1.08 -0.49 2.33 5.08 -1.08 -2.84 114.58 119.20 3kmd h GLU 286 Ca 0.08 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3kmd h GLU 286 Cb 0.70 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3kmd h GLU 286 CO 0.05 1.06 0.27 0.93 -1.00 0.00 0.00 179.01 180.32 3kmd h GLU 287 N 0.98 0.69 0.00 2.33 5.08 -0.88 -2.45 114.58 120.32 3kmd h GLU 287 Ca 0.17 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kmd h GLU 287 Cb 0.58 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3kmd h GLU 287 CO 0.03 0.54 0.00 0.09 -1.00 0.00 0.00 179.01 178.67 3kmd n ASN 288 N -4.66 0.37 0.12 1.42 5.03 -0.60 -1.45 115.26 115.49 3kmd n ASN 288 Ca 0.02 0.64 0.00 0.00 0.87 0.00 0.00 54.58 56.11 3kmd n ASN 288 Cb 0.08 -0.70 0.31 0.00 -1.02 0.00 0.00 39.78 38.45 3kmd n ASN 288 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3kmd h LEU 289 N 0.00 0.19 -0.10 3.41 5.85 -1.21 -1.77 115.31 121.68 3kmd h LEU 289 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kmd h LEU 289 Cb 0.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3kmd h LEU 289 CO 0.00 0.50 -0.02 0.54 -0.34 0.00 0.00 178.44 179.12 3kmd n ARG 290 N -4.12 0.82 0.00 1.25 5.12 -0.53 -5.15 116.66 114.06 3kmd n ARG 290 Ca -0.01 -0.10 0.06 0.00 -1.93 0.00 0.00 57.85 55.86 3kmd n ARG 290 Cb 0.40 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.25 3kmd n ARG 290 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33