#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 3.88 0.22 2.45 1.43 -1.26 -2.60 118.68 122.80 3kmd s LEU 93 Ca 0.00 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 3kmd s LEU 93 Cb 0.00 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 3kmd s LEU 93 CO 0.00 0.16 0.45 -0.55 0.23 0.00 0.00 176.35 176.64 3kmd s SER 94 N -2.49 6.45 0.38 2.29 0.15 0.15 -4.89 113.70 115.74 3kmd s SER 94 Ca 0.30 0.58 0.27 0.00 0.70 0.00 0.00 55.95 57.81 3kmd s SER 94 Cb -0.12 -2.09 0.89 0.00 -1.71 0.00 0.00 66.02 62.99 3kmd s SER 94 CO 0.23 -0.07 1.78 0.28 1.20 0.00 0.00 173.24 176.66 3kmd h SER 95 N 2.13 0.00 -5.45 5.45 0.02 -1.82 -3.47 113.55 110.41 3kmd h SER 95 Ca -0.47 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.13 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 -0.57 -0.94 -1.14 0.00 0.00 176.83 174.86 3kmd s SER 96 N -5.26 0.89 -0.10 3.07 1.04 -1.26 -5.14 113.70 106.93 3kmd s SER 96 Ca 0.05 -1.52 0.01 0.00 0.48 0.00 0.00 55.95 54.97 3kmd s SER 96 Cb 0.09 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3kmd s SER 96 CO 0.56 -0.90 -0.13 -0.69 0.98 0.00 0.00 173.24 173.05 3kmd s VAL 97 N -3.84 1.33 0.33 5.02 1.01 -1.26 -4.79 120.40 118.20 3kmd s VAL 97 Ca 0.39 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 3kmd s VAL 97 Cb 0.05 -1.24 -0.11 0.00 0.00 0.00 0.00 36.38 35.09 3kmd s VAL 97 CO 0.17 0.41 1.45 -2.84 0.00 0.00 0.00 175.10 174.29 3kmd s PRO 98 N 1.06 4.20 0.54 2.72 0.02 -1.26 -4.96 135.00 137.33 3kmd s PRO 98 Ca -0.06 2.43 -0.22 0.00 0.02 0.00 0.00 61.00 63.17 3kmd s PRO 98 Cb -0.15 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 3kmd s PRO 98 CO -0.02 -0.44 1.37 0.45 -0.33 0.00 0.00 177.00 178.03 3kmd s SER 99 N -0.05 5.32 0.00 2.53 0.15 -1.26 -4.94 113.70 115.46 3kmd s SER 99 Ca 0.54 2.78 0.02 0.00 0.70 0.00 0.00 55.95 60.00 3kmd s SER 99 Cb -0.44 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.25 3kmd s SER 99 CO 0.55 -1.54 0.64 0.00 1.20 0.00 0.00 173.24 174.09 3kmd n GLN 100 N -0.95 -0.12 -1.68 5.44 10.64 -1.26 -5.04 117.38 124.40 3kmd n GLN 100 Ca 0.10 -0.78 -0.46 0.00 -1.83 0.00 0.00 57.00 54.03 3kmd n GLN 100 Cb 0.45 -1.04 -0.04 0.00 -0.86 0.00 0.00 30.24 28.75 3kmd n GLN 100 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3kmd n LYS 101 N 0.04 2.34 -1.73 2.61 4.81 -1.26 -4.74 118.16 120.23 3kmd n LYS 101 Ca 0.01 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 57.89 3kmd n LYS 101 Cb 0.09 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.43 3kmd n LYS 101 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3kmd n THR 102 N 4.39 0.62 -3.37 3.15 -1.04 -1.26 -4.71 114.28 112.06 3kmd n THR 102 Ca 0.19 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 3kmd n THR 102 Cb 0.31 -1.97 -0.09 0.00 -1.82 0.00 0.00 70.33 66.77 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 0.46 -0.63 0.22 -1.42 6.04 0.09 -4.96 117.35 117.15 3kmd s TYR 103 Ca 0.68 -0.03 0.17 0.00 0.04 0.00 0.00 57.07 57.94 3kmd s TYR 103 Cb -0.50 -0.37 0.68 0.00 -1.04 0.00 0.00 41.96 40.73 3kmd s TYR 103 CO 0.42 -0.94 1.74 1.96 -1.54 0.00 0.00 175.55 177.19 3kmd h GLN 104 N 8.23 0.00 0.00 4.97 4.20 -1.76 0.29 115.11 131.04 3kmd h GLN 104 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 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 0.31 0.40 0.00 0.41 -0.67 0.00 0.00 178.83 179.28 3kmd n GLY 105 N 0.11 -0.61 0.23 3.46 0.00 -1.26 -0.61 105.19 106.51 3kmd n GLY 105 Ca -0.01 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.23 1.61 0.02 -1.95 -2.81 113.55 110.19 3kmd h SER 106 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kmd h SER 106 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3kmd h SER 106 CO 0.00 0.20 0.00 -1.22 -1.14 0.00 0.00 176.83 174.67 3kmd n TYR 107 N -4.16 0.28 -3.25 3.45 4.01 -1.26 -4.84 117.16 111.39 3kmd n TYR 107 Ca -0.02 -0.14 -0.15 0.00 -0.16 0.00 0.00 57.90 57.43 3kmd n TYR 107 Cb 0.27 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.33 -0.26 3.67 2.72 0.00 -1.06 0.41 105.19 112.00 3kmd n GLY 108 Ca 0.17 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.31 2.98 0.12 1.61 5.36 0.23 -3.19 117.98 121.77 3kmd s PHE 109 Ca 0.02 1.09 0.03 0.00 -0.96 0.00 0.00 56.93 57.10 3kmd s PHE 109 Cb -0.01 -3.47 -0.04 0.00 -0.34 0.00 0.00 43.02 39.16 3kmd s PHE 109 CO 0.63 -1.55 -0.08 1.03 -1.46 0.00 0.00 175.22 173.79 3kmd s ARG 110 N 3.00 0.93 0.09 10.12 0.52 0.72 -4.37 118.95 129.96 3kmd s ARG 110 Ca 0.55 -1.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 3kmd s ARG 110 Cb -0.23 -0.40 -0.04 0.00 0.52 0.00 0.00 34.95 34.80 3kmd s ARG 110 CO 0.17 0.03 0.15 -0.51 0.02 0.00 0.00 175.30 175.16 3kmd s LEU 111 N -3.07 4.02 0.14 2.53 1.43 -1.26 -0.34 118.68 122.13 3kmd s LEU 111 Ca 0.14 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3kmd s LEU 111 Cb 0.04 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 3kmd s LEU 111 CO -0.02 0.14 -0.09 -0.83 0.23 0.00 0.00 176.35 175.78 3kmd s GLY 112 N -2.62 1.00 0.03 -3.19 0.00 -0.22 -4.89 107.32 97.44 3kmd s GLY 112 Ca 0.32 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 3kmd s GLY 112 CO 0.25 -1.56 -0.03 -1.36 0.00 0.00 0.00 173.10 170.39 3kmd s PHE 113 N -3.39 0.39 0.92 1.90 0.08 -1.26 -0.83 117.98 115.79 3kmd s PHE 113 Ca 0.16 -0.72 -0.11 0.00 0.12 0.00 0.00 56.93 56.38 3kmd s PHE 113 Cb 0.03 -0.28 0.14 0.00 -0.57 0.00 0.00 43.02 42.35 3kmd s PHE 113 CO -0.01 -0.24 1.09 -0.51 -0.10 0.00 0.00 175.22 175.45 3kmd s LEU 114 N -2.00 2.31 -0.15 -0.37 1.43 -1.26 -4.95 118.68 113.68 3kmd s LEU 114 Ca -0.07 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.84 3kmd s LEU 114 Cb -0.04 -4.09 0.56 0.00 0.03 0.00 0.00 46.19 42.65 3kmd s LEU 114 CO -0.04 -2.89 1.36 1.41 0.23 0.00 0.00 176.35 176.42 3kmd n HIS 115 N -4.07 1.39 -1.44 0.29 8.25 -1.26 -4.56 115.22 113.83 3kmd n HIS 115 Ca 0.08 -0.49 -0.48 0.00 -0.26 0.00 0.00 57.72 56.57 3kmd n HIS 115 Cb 0.54 -0.37 -0.03 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 0.46 -0.71 -2.72 0.41 7.64 -1.26 -4.96 113.62 112.48 3kmd n SER 116 Ca 0.19 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.21 3kmd n SER 116 Cb 0.88 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 1.85 -0.82 1.38 0.23 0.00 -1.26 -4.57 105.19 102.00 3kmd n GLY 117 Ca 0.17 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.52 2.64 -1.52 2.61 -2.24 -1.26 -4.80 114.28 109.18 3kmd n THR 118 Ca 0.00 -2.97 -0.49 0.00 -2.27 0.00 0.00 64.05 58.32 3kmd n THR 118 Cb 0.00 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.06 -1.63 -0.31 6.98 0.00 -1.26 -4.14 120.51 119.09 3kmd n ALA 119 Ca 0.37 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 54.25 3kmd n ALA 119 Cb 1.01 -1.87 0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 1.29 -0.22 -2.25 0.00 3.00 -1.26 -1.35 118.16 117.37 3kmd n LYS 120 Ca 0.15 1.21 -0.25 0.00 -0.00 0.00 0.00 58.31 59.42 3kmd n LYS 120 Cb 0.24 -1.79 0.01 0.00 0.00 0.00 0.00 35.03 33.49 3kmd n LYS 120 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3kmd n SER 121 N -5.12 4.77 -4.73 3.14 3.41 -1.26 -1.04 113.62 112.78 3kmd n SER 121 Ca 0.07 -3.71 -0.40 0.00 -0.26 0.00 0.00 58.87 54.57 3kmd n SER 121 Cb 0.29 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3kmd n SER 121 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3kmd n VAL 122 N -0.60 2.95 0.11 -3.33 3.14 -0.46 -4.83 118.33 115.31 3kmd n VAL 122 Ca 0.41 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 61.26 3kmd n VAL 122 Cb 0.82 -1.69 0.09 0.00 -1.06 0.00 0.00 33.84 32.01 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 1.99 1.50 -2.29 1.55 1.35 -1.92 -3.36 112.91 111.73 3kmd h THR 123 Ca -0.50 -2.41 -0.02 0.00 -0.55 0.00 0.00 66.41 62.93 3kmd h THR 123 Cb 1.29 2.30 -0.24 0.00 -1.73 0.00 0.00 68.15 69.77 3kmd h THR 123 CO 0.59 0.69 -0.24 0.00 -0.25 0.00 0.00 175.52 176.31 3kmd s THR 125 N 2.56 -0.00 -0.08 0.00 -1.32 0.41 -4.76 115.64 112.46 3kmd s THR 125 Ca -0.05 0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.44 3kmd s THR 125 Cb -0.11 -0.12 -0.03 0.00 -1.51 0.00 0.00 72.50 70.73 3kmd s THR 125 CO -0.16 0.00 -0.03 -0.47 -2.21 0.00 0.00 174.62 171.76 3kmd s TYR 126 N 0.09 3.07 -0.35 9.09 5.04 -1.26 -0.31 117.35 132.71 3kmd s TYR 126 Ca -0.00 0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 54.69 3kmd s TYR 126 Cb -0.01 -1.76 0.05 0.00 0.35 0.00 0.00 41.96 40.59 3kmd s TYR 126 CO -0.00 0.41 0.13 0.45 -1.34 0.00 0.00 175.55 175.20 3kmd s SER 127 N -0.86 5.34 0.38 4.32 0.15 0.10 -4.93 113.70 118.20 3kmd s SER 127 Ca 0.13 -1.25 0.06 0.00 0.70 0.00 0.00 55.95 55.60 3kmd s SER 127 Cb -0.11 -1.87 0.76 0.00 -1.71 0.00 0.00 66.02 63.08 3kmd s SER 127 CO 0.02 -0.36 1.97 -0.65 1.20 0.00 0.00 173.24 175.42 3kmd h PRO 128 N 8.22 0.49 -0.69 5.44 0.11 -1.97 0.15 132.00 143.76 3kmd h PRO 128 Ca -0.22 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3kmd h PRO 128 Cb 1.08 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3kmd h PRO 128 CO 0.62 0.43 0.22 0.00 -0.21 0.00 0.00 178.00 179.07 3kmd h ALA 129 N 1.64 1.09 -0.01 -0.75 0.00 -1.97 -3.07 119.26 116.20 3kmd h ALA 129 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kmd h ALA 129 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kmd h ALA 129 CO -0.01 0.62 -0.52 1.28 0.00 0.00 0.00 179.25 180.63 3kmd n LEU 130 N -4.27 1.81 -4.05 0.00 4.77 -1.07 -4.98 117.00 109.21 3kmd n LEU 130 Ca 0.06 -0.72 -0.35 0.00 -0.03 0.00 0.00 56.01 54.96 3kmd n LEU 130 Cb 0.21 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3kmd n LEU 130 CO 0.41 0.35 -0.25 -3.20 -1.33 0.00 0.00 177.39 173.36 3kmd n ASN 131 N -0.24 -2.03 -3.79 -1.43 5.15 0.48 -4.78 115.26 108.61 3kmd n ASN 131 Ca 0.08 -1.18 -0.18 0.00 -0.60 0.00 0.00 54.58 52.70 3kmd n ASN 131 Cb 0.42 -2.25 -0.17 0.00 -0.53 0.00 0.00 39.78 37.26 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 -6.98 0.29 0.01 1.20 2.20 -0.88 -1.39 119.74 114.19 3kmd s LYS 132 Ca 0.24 0.12 -0.20 0.00 -0.36 0.00 0.00 55.97 55.77 3kmd s LYS 132 Cb -0.12 -0.55 -0.06 0.00 -1.51 0.00 0.00 37.83 35.60 3kmd s LYS 132 CO 0.94 -0.18 0.57 1.41 -0.36 0.00 0.00 175.35 177.73 3kmd s MET 133 N 1.29 4.26 -0.17 4.03 -2.45 0.99 -0.72 119.30 126.54 3kmd s MET 133 Ca -0.06 0.70 -0.00 0.00 -1.25 0.00 0.00 55.69 55.08 3kmd s MET 133 Cb -0.13 -3.31 -0.00 0.00 1.25 0.00 0.00 34.83 32.64 3kmd s MET 133 CO -0.02 0.45 -0.14 -0.06 1.05 0.00 0.00 175.02 176.29 3kmd s PHE 134 N -0.44 2.81 0.12 4.11 0.40 0.58 -0.93 117.98 124.62 3kmd s PHE 134 Ca 0.30 -1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 55.44 3kmd s PHE 134 Cb -0.18 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.43 3kmd s PHE 134 CO 0.17 -0.51 0.28 0.00 0.70 0.00 0.00 175.22 175.86 3kmd s GLN 136 N -3.87 3.63 0.18 0.00 -0.21 -0.00 -0.73 119.66 118.65 3kmd s GLN 136 Ca 0.07 0.04 -0.32 0.00 0.02 0.00 0.00 55.36 55.18 3kmd s GLN 136 Cb 0.03 -2.60 -0.12 0.00 1.00 0.00 0.00 33.01 31.33 3kmd s GLN 136 CO -0.08 0.15 1.75 -0.11 -2.12 0.00 0.00 175.29 174.88 3kmd n LEU 137 N -1.13 3.96 0.00 2.90 0.00 -1.26 -2.42 117.00 119.05 3kmd n LEU 137 Ca -0.01 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.04 3kmd n LEU 137 Cb 0.54 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.40 3kmd n LEU 137 CO 0.48 0.15 0.00 0.00 0.00 0.00 0.00 177.39 178.03 3kmd n ALA 138 N 4.45 0.00 -2.14 1.96 0.00 0.52 -4.97 120.51 120.33 3kmd n ALA 138 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 3kmd n ALA 138 Cb 0.35 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.45 3.71 0.11 0.00 -0.14 -1.01 -4.86 119.74 117.10 3kmd s LYS 139 Ca 0.00 0.47 -0.31 0.00 -1.36 0.00 0.00 55.97 54.77 3kmd s LYS 139 Cb 0.00 -2.33 -0.09 0.00 -1.68 0.00 0.00 37.83 33.73 3kmd s LYS 139 CO 0.00 -0.16 1.58 0.99 -0.76 0.00 0.00 175.35 177.00 3kmd s THR 140 N -2.58 2.91 -0.33 2.17 2.01 -1.26 -4.40 115.64 114.15 3kmd s THR 140 Ca 0.51 0.53 0.03 0.00 0.31 0.00 0.00 61.69 63.07 3kmd s THR 140 Cb -0.10 -3.34 0.10 0.00 0.01 0.00 0.00 72.50 69.16 3kmd s THR 140 CO 0.37 0.02 0.05 0.00 -0.69 0.00 0.00 174.62 174.37 3kmd s PRO 142 N 1.02 4.47 -0.11 0.00 0.02 -1.26 -1.40 135.00 137.74 3kmd s PRO 142 Ca 0.10 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.81 3kmd s PRO 142 Cb -0.19 -3.37 0.01 0.00 0.02 0.00 0.00 34.50 30.97 3kmd s PRO 142 CO -0.10 -0.19 -0.16 0.08 -0.33 0.00 0.00 177.00 176.30 3kmd s VAL 143 N 0.98 1.58 -0.02 3.83 1.01 0.45 -4.64 120.40 123.59 3kmd s VAL 143 Ca 0.56 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3kmd s VAL 143 Cb -0.27 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3kmd s VAL 143 CO 0.29 0.46 0.55 -1.10 0.00 0.00 0.00 175.10 175.30 3kmd s GLN 144 N 0.96 4.27 -0.27 2.72 -0.21 -0.01 -0.57 119.66 126.54 3kmd s GLN 144 Ca -0.07 0.64 -0.10 0.00 0.02 0.00 0.00 55.36 55.85 3kmd s GLN 144 Cb -0.15 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 3kmd s GLN 144 CO -0.02 0.38 0.15 -0.51 -2.12 0.00 0.00 175.29 173.17 3kmd s LEU 145 N -0.17 3.84 -0.09 2.90 1.43 0.29 -1.06 118.68 125.81 3kmd s LEU 145 Ca 0.29 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3kmd s LEU 145 Cb -0.17 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3kmd s LEU 145 CO 0.15 -0.05 -0.08 0.26 0.23 0.00 0.00 176.35 176.86 3kmd s TRP 146 N 1.71 2.92 0.04 0.29 0.52 0.54 -1.81 118.94 123.15 3kmd s TRP 146 Ca 0.07 -0.15 0.02 0.00 0.02 0.00 0.00 56.10 56.06 3kmd s TRP 146 Cb -0.16 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 3kmd s TRP 146 CO 0.08 0.17 -0.08 0.14 0.02 0.00 0.00 176.95 177.29 3kmd s VAL 147 N -0.41 0.52 0.13 4.03 -7.23 -1.26 -0.20 120.40 115.99 3kmd s VAL 147 Ca 0.06 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.17 3kmd s VAL 147 Cb -0.12 -0.58 -0.18 0.00 0.56 0.00 0.00 36.38 36.06 3kmd s VAL 147 CO 0.02 -0.35 1.31 0.44 -0.31 0.00 0.00 175.10 176.22 3kmd h ASP 148 N 4.61 0.51 -5.14 4.85 3.32 -0.00 -3.46 116.42 121.10 3kmd h ASP 148 Ca -0.35 -0.41 -0.14 0.00 0.02 0.00 0.00 57.03 56.16 3kmd h ASP 148 Cb 1.20 -0.16 -0.17 0.00 0.22 0.00 0.00 39.33 40.42 3kmd h ASP 148 CO 0.41 1.20 -0.67 -0.94 -1.72 0.00 0.00 179.24 177.53 3kmd s SER 149 N -7.06 0.38 -0.12 6.45 1.04 -1.13 -5.03 113.70 108.21 3kmd s SER 149 Ca -0.06 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 55.29 3kmd s SER 149 Cb 0.09 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3kmd s SER 149 CO 0.86 -0.49 1.15 -0.89 0.98 0.00 0.00 173.24 174.85 3kmd s THR 150 N -2.97 4.44 0.74 2.02 2.01 -1.26 -4.78 115.64 115.83 3kmd s THR 150 Ca -0.02 1.74 -0.13 0.00 0.31 0.00 0.00 61.69 63.60 3kmd s THR 150 Cb 0.01 -4.12 0.04 0.00 0.01 0.00 0.00 72.50 68.44 3kmd s THR 150 CO -0.07 -0.07 1.12 -2.84 -0.69 0.00 0.00 174.62 172.08 3kmd s PRO 151 N 2.67 2.32 0.71 4.92 0.02 -1.26 -4.99 135.00 139.39 3kmd s PRO 151 Ca 0.52 1.35 -0.15 0.00 0.02 0.00 0.00 61.00 62.74 3kmd s PRO 151 Cb -0.21 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3kmd s PRO 151 CO 0.17 -1.62 1.20 -2.14 -0.33 0.00 0.00 177.00 174.28 3kmd s PRO 152 N -4.47 2.26 0.29 5.54 0.02 -1.26 -4.90 135.00 132.48 3kmd s PRO 152 Ca 0.65 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 63.13 3kmd s PRO 152 Cb -0.20 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 3kmd s PRO 152 CO 0.50 -1.74 1.28 -0.35 -0.33 0.00 0.00 177.00 176.36 3kmd n PRO 153 N -2.59 1.95 0.00 5.54 -0.04 -1.26 -1.99 135.00 136.62 3kmd n PRO 153 Ca 0.13 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 3kmd n PRO 153 Cb 0.50 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 1.35 0.62 3.76 0.55 0.00 -1.26 -4.90 105.19 105.30 3kmd n GLY 154 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.15 2.35 0.26 2.61 2.01 -0.84 -2.57 115.64 117.31 3kmd s THR 155 Ca 0.00 0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.43 3kmd s THR 155 Cb 0.00 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 3kmd s THR 155 CO 0.00 0.06 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.66 3kmd s ARG 156 N -0.88 1.62 -0.18 4.92 0.52 0.19 -0.20 118.95 124.94 3kmd s ARG 156 Ca 0.58 -1.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.08 3kmd s ARG 156 Cb -0.44 -1.70 0.02 0.00 0.52 0.00 0.00 34.95 33.34 3kmd s ARG 156 CO 0.49 0.32 -0.19 0.08 0.02 0.00 0.00 175.30 176.02 3kmd s VAL 157 N -2.49 2.17 0.00 3.52 1.01 0.67 -0.49 120.40 124.79 3kmd s VAL 157 Ca 0.28 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3kmd s VAL 157 Cb -0.05 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3kmd s VAL 157 CO 0.14 0.53 -0.12 -0.60 0.00 0.00 0.00 175.10 175.05 3kmd s ARG 158 N 1.27 2.39 -0.04 2.72 3.52 -0.22 -1.48 118.95 127.11 3kmd s ARG 158 Ca 0.04 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 54.90 3kmd s ARG 158 Cb -0.13 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 3kmd s ARG 158 CO -0.11 0.59 -0.21 0.00 -0.81 0.00 0.00 175.30 174.76 3kmd s ALA 159 N -0.91 1.79 -0.06 6.12 0.00 -0.09 -0.70 121.76 127.91 3kmd s ALA 159 Ca 0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 3kmd s ALA 159 Cb -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3kmd s ALA 159 CO 0.05 0.36 0.15 1.41 0.00 0.00 0.00 175.76 177.73 3kmd s MET 160 N -0.15 0.17 -0.03 0.00 0.00 -0.75 -1.92 119.30 116.63 3kmd s MET 160 Ca -0.01 0.22 -0.06 0.00 0.00 0.00 0.00 55.69 55.84 3kmd s MET 160 Cb -0.11 0.07 -0.04 0.00 0.00 0.00 0.00 34.83 34.75 3kmd s MET 160 CO 0.02 -0.03 0.21 0.00 0.00 0.00 0.00 175.02 175.23 3kmd s ALA 161 N 0.13 3.89 0.07 4.11 0.00 -1.26 0.38 121.76 129.07 3kmd s ALA 161 Ca -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3kmd s ALA 161 Cb -0.02 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3kmd s ALA 161 CO -0.00 0.67 -0.08 0.96 0.00 0.00 0.00 175.76 177.31 3kmd s ILE 162 N -1.23 0.67 0.31 0.00 -4.36 -0.59 -4.52 121.20 111.47 3kmd s ILE 162 Ca 0.24 -1.44 -0.29 0.00 -0.26 0.00 0.00 60.65 58.90 3kmd s ILE 162 Cb -0.13 -1.07 -0.10 0.00 1.25 0.00 0.00 42.46 42.40 3kmd s ILE 162 CO 0.14 -0.55 1.40 -0.31 0.24 0.00 0.00 174.94 175.86 3kmd s TYR 163 N -2.23 2.93 0.05 1.37 2.02 -1.26 -0.17 117.35 120.05 3kmd s TYR 163 Ca -0.01 1.20 -0.16 0.00 -0.37 0.00 0.00 57.07 57.74 3kmd s TYR 163 Cb -0.04 -3.82 -0.24 0.00 -0.40 0.00 0.00 41.96 37.47 3kmd s TYR 163 CO -0.01 -2.44 1.16 -0.22 -1.57 0.00 0.00 175.55 172.46 3kmd h LYS 164 N 3.92 0.61 -6.59 -0.62 3.64 -1.66 -3.40 116.57 112.48 3kmd h LYS 164 Ca -0.48 -0.66 -0.53 0.00 -1.27 0.00 0.00 60.65 57.71 3kmd h LYS 164 Cb 1.23 0.19 0.03 0.00 -0.41 0.00 0.00 32.23 33.27 3kmd h LYS 164 CO 0.70 1.26 0.79 -0.65 -2.27 0.00 0.00 179.45 179.28 3kmd s GLN 165 N -3.27 4.27 0.39 1.90 -0.21 -1.26 -4.92 119.66 116.57 3kmd s GLN 165 Ca -0.11 2.21 0.11 0.00 0.02 0.00 0.00 55.36 57.59 3kmd s GLN 165 Cb 0.06 -3.20 0.90 0.00 1.00 0.00 0.00 33.01 31.76 3kmd s GLN 165 CO 0.89 -0.50 1.91 0.66 -2.12 0.00 0.00 175.29 176.13 3kmd h SER 166 N 6.64 0.55 1.02 5.90 4.64 -2.01 -0.94 113.55 129.35 3kmd h SER 166 Ca -0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kmd h SER 166 Cb 1.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kmd h SER 166 CO 0.88 0.30 0.00 0.06 -0.87 0.00 0.00 176.83 177.20 3kmd h GLN 167 N 0.59 0.00 -0.01 4.77 -0.00 -1.96 -2.85 115.11 115.65 3kmd h GLN 167 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 3kmd h GLN 167 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.14 3kmd h GLN 167 CO -0.15 0.00 -0.43 0.72 -0.00 0.00 0.00 178.83 178.97 3kmd n HIS 168 N -2.51 0.00 -0.06 0.06 8.25 -0.39 -4.65 115.22 115.93 3kmd n HIS 168 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 3kmd n HIS 168 Cb 0.30 0.00 0.51 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 2.08 0.38 0.00 -0.41 2.86 -1.23 0.12 114.93 118.74 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 0.66 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3kmd h MET 169 CO 0.00 0.25 -0.01 0.25 1.06 0.00 0.00 176.91 178.45 3kmd n THR 170 N -4.47 0.06 -2.74 2.22 -2.24 -1.26 -4.64 114.28 101.20 3kmd n THR 170 Ca 0.09 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3kmd n THR 170 Cb 0.34 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.01 4.38 0.17 -0.78 2.12 0.03 0.32 118.70 121.94 3kmd s GLU 171 Ca 0.14 1.29 -0.32 0.00 0.36 0.00 0.00 54.97 56.44 3kmd s GLU 171 Cb 0.18 -3.55 -0.11 0.00 0.26 0.00 0.00 34.13 30.91 3kmd s GLU 171 CO 0.54 -0.33 1.72 0.08 -0.54 0.00 0.00 175.26 176.73 3kmd s VAL 172 N 2.09 2.33 -0.13 3.70 1.01 -1.07 -4.59 120.40 123.74 3kmd s VAL 172 Ca 0.45 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 3kmd s VAL 172 Cb -0.18 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3kmd s VAL 172 CO 0.16 0.01 1.18 -0.69 0.00 0.00 0.00 175.10 175.75 3kmd s VAL 173 N 1.65 4.39 0.21 2.92 1.01 -1.26 -4.82 120.40 124.50 3kmd s VAL 173 Ca 0.75 1.69 -0.06 0.00 0.00 0.00 0.00 61.98 64.37 3kmd s VAL 173 Cb -0.47 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 3kmd s VAL 173 CO 0.33 -0.08 0.27 0.00 0.00 0.00 0.00 175.10 175.62 3kmd s ARG 174 N 2.81 1.31 0.66 2.72 1.70 -1.26 -4.73 118.95 122.15 3kmd s ARG 174 Ca 0.53 -1.44 -0.15 0.00 -0.47 0.00 0.00 55.73 54.19 3kmd s ARG 174 Cb -0.21 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.51 3kmd s ARG 174 CO 0.16 -0.48 1.10 1.03 -1.08 0.00 0.00 175.30 176.04 3kmd s ARG 175 N -4.09 2.85 0.90 3.89 0.52 -0.87 -4.40 118.95 117.74 3kmd s ARG 175 Ca 0.30 1.35 -0.12 0.00 -0.52 0.00 0.00 55.73 56.75 3kmd s ARG 175 Cb 0.04 -1.96 0.13 0.00 0.52 0.00 0.00 34.95 33.68 3kmd s ARG 175 CO 0.09 -1.21 1.12 0.00 0.02 0.00 0.00 175.30 175.32 3kmd h PRO 177 N -1.47 1.01 0.43 0.00 0.11 -1.82 -0.27 132.00 129.99 3kmd h PRO 177 Ca -0.50 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 3kmd h PRO 177 Cb 1.31 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kmd h PRO 177 CO 0.60 0.77 -0.21 1.25 -0.21 0.00 0.00 178.00 180.21 3kmd h HIS 178 N 1.01 -0.53 -0.34 0.65 -0.00 -1.92 -2.72 115.15 111.30 3kmd h HIS 178 Ca 0.25 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.56 3kmd h HIS 178 Cb 0.08 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 3kmd h HIS 178 CO 0.01 -0.21 -0.00 0.45 -0.00 0.00 0.00 177.93 178.17 3kmd h HIS 179 N -0.87 0.54 -0.84 5.26 3.86 -1.91 -1.31 115.15 119.87 3kmd h HIS 179 Ca -0.06 -0.05 0.13 0.00 -1.16 0.00 0.00 60.37 59.22 3kmd h HIS 179 Cb 0.56 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 3kmd h HIS 179 CO 0.01 0.53 0.55 1.49 0.86 0.00 0.00 177.93 181.37 3kmd h GLU 180 N 0.50 0.66 0.00 2.45 4.81 -1.06 -2.88 114.58 119.06 3kmd h GLU 180 Ca 0.11 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 3kmd h GLU 180 Cb 0.33 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3kmd h GLU 180 CO 0.01 0.44 -1.50 0.54 -0.73 0.00 0.00 179.01 177.77 3kmd n ARG 181 N -4.53 0.63 -1.00 1.92 1.74 -0.75 -4.74 116.66 109.93 3kmd n ARG 181 Ca 0.16 0.21 -0.31 0.00 -0.77 0.00 0.00 57.85 57.14 3kmd n ARG 181 Cb 0.42 -1.79 0.14 0.00 -1.02 0.00 0.00 32.46 30.22 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 -3.95 6.69 0.00 0.00 7.64 -1.26 -4.62 113.62 118.11 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 62.46 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 1.27 1.77 -4.77 6.43 5.68 -1.26 -5.04 116.55 120.63 3kmd n ASP 184 Ca 0.37 -1.78 -0.41 0.00 -0.50 0.00 0.00 54.79 52.47 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 -1.54 -1.33 0.00 0.00 177.20 174.33 3kmd n SER 185 N -0.39 3.69 -0.72 -1.12 3.41 -1.26 -4.89 113.62 112.34 3kmd n SER 185 Ca 0.00 1.20 0.05 0.00 -0.26 0.00 0.00 58.87 59.86 3kmd n SER 185 Cb 0.20 -1.62 0.16 0.00 -0.26 0.00 0.00 64.21 62.69 3kmd n SER 185 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kmd n ASP 186 N 0.26 2.07 0.00 4.04 3.85 -1.26 -4.87 116.55 120.64 3kmd n ASP 186 Ca 0.02 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.05 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 0.97 2.24 0.27 6.12 0.00 -1.26 -4.79 105.19 108.75 3kmd n GLY 187 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 2.20 -4.75 0.99 4.77 -1.26 -5.03 117.00 113.92 3kmd n LEU 188 Ca 0.00 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.60 3kmd n LEU 188 Cb 0.00 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 3kmd n LEU 188 CO 0.00 0.50 0.35 0.00 -1.33 0.00 0.00 177.39 176.91 3kmd s ALA 189 N -2.19 3.43 0.62 -1.18 0.00 -1.26 -4.89 121.76 116.29 3kmd s ALA 189 Ca -0.13 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 3kmd s ALA 189 Cb 0.04 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 3kmd s ALA 189 CO 0.21 0.09 1.29 -2.14 0.00 0.00 0.00 175.76 175.20 3kmd s PRO 190 N 0.05 2.71 0.50 0.00 0.02 -1.26 -4.59 135.00 132.44 3kmd s PRO 190 Ca 0.34 2.04 0.24 0.00 0.02 0.00 0.00 61.00 63.64 3kmd s PRO 190 Cb -0.19 -1.91 1.33 0.00 0.02 0.00 0.00 34.50 33.75 3kmd s PRO 190 CO 0.18 -1.47 2.04 -1.35 -0.33 0.00 0.00 177.00 176.08 3kmd h PRO 191 N 0.73 0.00 -0.01 5.54 0.11 -1.97 -2.82 132.00 133.58 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 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3kmd h PRO 191 CO 0.54 0.14 -0.25 0.00 -0.21 0.00 0.00 178.00 178.22 3kmd n GLN 192 N -3.77 1.12 -2.51 1.05 10.64 -1.26 -4.40 117.38 118.26 3kmd n GLN 192 Ca -0.02 -0.75 -0.42 0.00 -1.83 0.00 0.00 57.00 53.98 3kmd n GLN 192 Cb 0.25 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.12 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 -2.39 3.29 0.06 2.61 3.76 -1.07 -2.06 115.29 119.48 3kmd s HIS 193 Ca 0.25 1.31 -0.22 0.00 -0.15 0.00 0.00 55.06 56.25 3kmd s HIS 193 Cb 0.19 -3.37 -0.13 0.00 1.11 0.00 0.00 32.58 30.38 3kmd s HIS 193 CO 0.49 -1.07 1.53 1.25 -0.85 0.00 0.00 174.74 176.09 3kmd h LEU 194 N 7.97 0.17 -9.01 0.89 5.85 -1.89 -3.44 115.31 115.84 3kmd h LEU 194 Ca -0.35 -0.25 -0.62 0.00 0.84 0.00 0.00 57.88 57.50 3kmd h LEU 194 Cb 1.17 -0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.99 3kmd h LEU 194 CO 0.86 0.38 -0.54 -0.63 -0.34 0.00 0.00 178.44 178.17 3kmd s ILE 195 N -5.19 5.04 0.18 4.05 1.01 -1.26 -1.14 121.20 123.88 3kmd s ILE 195 Ca -0.14 0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.68 3kmd s ILE 195 Cb 0.05 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3kmd s ILE 195 CO 0.70 0.37 -0.20 -0.13 0.00 0.00 0.00 174.94 175.68 3kmd s ARG 196 N 0.97 1.65 -0.17 2.79 0.52 -0.35 -4.72 118.95 119.65 3kmd s ARG 196 Ca 0.06 -1.44 -0.07 0.00 -0.52 0.00 0.00 55.73 53.76 3kmd s ARG 196 Cb -0.14 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 3kmd s ARG 196 CO 0.03 0.41 0.08 0.08 0.02 0.00 0.00 175.30 175.93 3kmd s VAL 197 N -1.62 5.00 -0.02 3.52 1.01 -1.26 -0.54 120.40 126.49 3kmd s VAL 197 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 3kmd s VAL 197 Cb -0.08 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3kmd s VAL 197 CO 0.11 0.49 0.18 -1.83 0.00 0.00 0.00 175.10 174.05 3kmd s GLU 198 N 0.05 3.43 -0.57 2.72 -1.05 0.00 -4.60 118.70 118.68 3kmd s GLU 198 Ca 0.07 -0.30 -0.03 0.00 -0.15 0.00 0.00 54.97 54.56 3kmd s GLU 198 Cb -0.12 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.47 3kmd s GLU 198 CO 0.00 0.69 0.36 0.41 0.95 0.00 0.00 175.26 177.68 3kmd n GLY 199 N 1.08 0.29 2.72 -3.83 0.00 -1.26 -4.60 105.19 99.59 3kmd n GLY 199 Ca -0.12 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 1.69 0.57 1.61 3.84 -1.26 -5.01 114.94 113.36 3kmd s ASN 200 Ca 0.18 -0.43 0.34 0.00 0.21 0.00 0.00 52.86 53.16 3kmd s ASN 200 Cb -0.08 0.29 1.66 0.00 -0.55 0.00 0.00 41.25 42.57 3kmd s ASN 200 CO 0.22 -0.35 2.11 -0.07 -2.79 0.00 0.00 177.10 176.23 3kmd h LEU 201 N 8.32 0.00 -2.57 3.21 3.38 -1.97 -2.69 115.31 122.99 3kmd h LEU 201 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kmd h LEU 201 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kmd h LEU 201 CO 0.31 0.05 0.00 0.54 0.09 0.00 0.00 178.44 179.43 3kmd n ARG 202 N -3.28 3.31 -2.21 1.13 1.74 -1.26 -4.94 116.66 111.15 3kmd n ARG 202 Ca -0.01 -2.19 -0.41 0.00 -0.77 0.00 0.00 57.85 54.47 3kmd n ARG 202 Cb 0.23 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 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 -1.94 2.92 -0.02 1.55 0.11 -1.02 -4.57 120.40 117.43 3kmd s VAL 203 Ca 0.39 0.92 0.07 0.00 -2.93 0.00 0.00 61.98 60.43 3kmd s VAL 203 Cb 0.27 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.51 3kmd s VAL 203 CO 0.16 0.22 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.31 3kmd s GLU 204 N -1.67 1.92 -0.18 1.54 2.02 0.18 -4.99 118.70 117.52 3kmd s GLU 204 Ca 0.48 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 3kmd s GLU 204 Cb -0.38 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 3kmd s GLU 204 CO 0.50 0.49 -0.03 0.71 0.02 0.00 0.00 175.26 176.95 3kmd s TYR 205 N -0.52 3.00 -0.09 1.61 2.02 -1.26 -1.06 117.35 121.05 3kmd s TYR 205 Ca 0.08 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3kmd s TYR 205 Cb -0.09 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3kmd s TYR 205 CO -0.01 -0.21 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.49 3kmd s LEU 206 N 0.78 2.95 -0.44 -1.29 2.96 0.20 -4.98 118.68 118.86 3kmd s LEU 206 Ca -0.01 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3kmd s LEU 206 Cb -0.14 -1.64 0.12 0.00 0.50 0.00 0.00 46.19 45.02 3kmd s LEU 206 CO 0.02 0.29 0.20 -0.62 -1.32 0.00 0.00 176.35 174.92 3kmd s ASP 207 N -0.40 4.91 0.10 3.68 3.68 -1.26 -1.52 116.67 125.87 3kmd s ASP 207 Ca 0.05 -2.40 -0.31 0.00 2.13 0.00 0.00 52.55 52.02 3kmd s ASP 207 Cb -0.12 -1.73 -0.10 0.00 -1.45 0.00 0.00 42.92 39.52 3kmd s ASP 207 CO 0.02 -0.40 1.83 -0.62 0.13 0.00 0.00 175.17 176.13 3kmd s ASP 208 N 0.92 6.45 0.45 -0.34 -1.08 -0.43 -4.87 116.67 117.77 3kmd s ASP 208 Ca 0.12 2.71 0.23 0.00 -0.52 0.00 0.00 52.55 55.09 3kmd s ASP 208 Cb -0.22 -2.56 1.06 0.00 -1.46 0.00 0.00 42.92 39.75 3kmd s ASP 208 CO -0.05 -1.00 1.91 0.03 0.52 0.00 0.00 175.17 176.59 3kmd h ARG 209 N 8.86 0.00 0.04 4.34 -0.00 -1.96 0.10 114.38 125.76 3kmd h ARG 209 Ca -0.46 0.00 -0.38 0.00 -0.50 0.00 0.00 59.98 58.64 3kmd h ARG 209 Cb 1.22 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.13 3kmd h ARG 209 CO 0.95 0.23 -2.31 0.09 0.00 0.00 0.00 179.97 178.92 3kmd n ASN 210 N -3.63 2.02 0.01 7.04 3.02 -1.26 -4.57 115.26 117.89 3kmd n ASN 210 Ca -0.01 0.01 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 3kmd n ASN 210 Cb 0.36 -0.58 -0.14 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 -3.43 0.12 -0.98 3.41 -2.24 -1.24 -4.61 114.28 105.31 3kmd n THR 211 Ca -0.42 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3kmd n THR 211 Cb 0.99 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.34 0.00 -2.67 4.78 3.72 0.36 -4.25 117.46 117.05 3kmd n PHE 212 Ca -0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 3kmd n PHE 212 Cb 0.57 -0.69 -0.05 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.67 4.46 0.15 -1.08 1.81 -1.26 -4.67 118.95 117.69 3kmd s ARG 213 Ca 0.00 1.44 -0.12 0.00 -1.72 0.00 0.00 55.73 55.33 3kmd s ARG 213 Cb 0.00 -2.76 -0.07 0.00 -0.45 0.00 0.00 34.95 31.67 3kmd s ARG 213 CO 0.00 0.14 0.51 -1.01 -0.68 0.00 0.00 175.30 174.26 3kmd s HIS 214 N -1.58 3.55 0.12 -0.53 3.76 -1.26 -1.31 115.29 118.03 3kmd s HIS 214 Ca 0.52 0.93 -0.17 0.00 -0.15 0.00 0.00 55.06 56.18 3kmd s HIS 214 Cb -0.21 -2.28 0.04 0.00 1.11 0.00 0.00 32.58 31.24 3kmd s HIS 214 CO 0.27 0.41 0.43 -1.54 -0.85 0.00 0.00 174.74 173.45 3kmd s SER 215 N -1.93 -0.28 -0.08 1.40 1.04 -0.57 -4.57 113.70 108.70 3kmd s SER 215 Ca 0.39 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.62 3kmd s SER 215 Cb -0.14 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.48 3kmd s SER 215 CO 0.20 -0.84 -0.17 0.54 0.98 0.00 0.00 173.24 173.95 3kmd s VAL 216 N -3.62 1.48 -0.02 5.02 0.11 -0.81 -0.63 120.40 121.93 3kmd s VAL 216 Ca 0.02 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.43 3kmd s VAL 216 Cb 0.01 -1.31 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 3kmd s VAL 216 CO -0.11 0.43 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.26 3kmd s VAL 217 N 0.56 1.18 0.14 2.04 1.01 -0.23 -0.91 120.40 124.19 3kmd s VAL 217 Ca -0.16 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3kmd s VAL 217 Cb -0.17 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3kmd s VAL 217 CO 0.05 0.34 -0.11 0.68 0.00 0.00 0.00 175.10 176.06 3kmd s VAL 218 N -0.19 1.21 0.30 2.92 -7.23 -0.55 -0.65 120.40 116.22 3kmd s VAL 218 Ca 0.02 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 3kmd s VAL 218 Cb -0.07 -1.69 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 3kmd s VAL 218 CO 0.00 -0.61 1.37 -2.84 -0.31 0.00 0.00 175.10 172.71 3kmd s PRO 219 N -3.28 4.30 0.16 4.82 0.02 -1.26 -0.24 135.00 139.53 3kmd s PRO 219 Ca 0.13 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 3kmd s PRO 219 Cb -0.01 -3.08 -0.08 0.00 0.02 0.00 0.00 34.50 31.35 3kmd s PRO 219 CO 0.02 -0.31 1.27 -0.47 -0.33 0.00 0.00 177.00 177.18 3kmd s TYR 220 N -0.66 3.33 -0.13 6.54 5.04 0.72 -4.74 117.35 127.44 3kmd s TYR 220 Ca 0.53 1.26 0.02 0.00 -2.44 0.00 0.00 57.07 56.44 3kmd s TYR 220 Cb -0.41 -3.54 0.01 0.00 0.35 0.00 0.00 41.96 38.38 3kmd s TYR 220 CO 0.50 -1.66 -0.19 -1.21 -1.34 0.00 0.00 175.55 171.65 3kmd s GLU 221 N 0.17 2.64 0.98 4.97 0.41 -1.26 -4.82 118.70 121.80 3kmd s GLU 221 Ca 0.57 -0.71 -0.11 0.00 -0.41 0.00 0.00 54.97 54.30 3kmd s GLU 221 Cb -0.34 -2.19 0.18 0.00 -1.78 0.00 0.00 34.13 30.00 3kmd s GLU 221 CO 0.35 -0.06 1.10 -1.25 -0.49 0.00 0.00 175.26 174.92 3kmd s PRO 222 N 0.95 0.49 0.72 0.39 0.04 -1.26 -4.76 135.00 131.57 3kmd s PRO 222 Ca -0.06 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 3kmd s PRO 222 Cb -0.15 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.74 3kmd s PRO 222 CO -0.03 -2.89 1.16 -2.14 0.04 0.00 0.00 177.00 173.14 3kmd s PRO 223 N -4.63 2.30 0.53 0.56 0.02 -1.26 -4.94 135.00 127.58 3kmd s PRO 223 Ca 0.67 1.57 -0.21 0.00 0.02 0.00 0.00 61.00 63.04 3kmd s PRO 223 Cb -0.23 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3kmd s PRO 223 CO 0.60 -1.67 1.20 -1.91 -0.33 0.00 0.00 177.00 174.89 3kmd n GLU 224 N -2.78 1.45 -0.19 5.54 4.07 -1.26 -4.80 120.64 122.67 3kmd n GLU 224 Ca 0.12 0.54 0.11 0.00 -0.06 0.00 0.00 57.16 57.86 3kmd n GLU 224 Cb 0.51 -2.38 0.21 0.00 -0.06 0.00 0.00 31.44 29.72 3kmd n GLU 224 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3kmd n VAL 225 N -1.08 -0.23 -0.03 6.31 0.31 -1.26 0.04 118.33 122.38 3kmd n VAL 225 Ca 0.11 1.20 -0.08 0.00 -0.01 0.00 0.00 64.34 65.56 3kmd n VAL 225 Cb 0.44 -1.80 -0.07 0.00 -0.91 0.00 0.00 33.84 31.50 3kmd n VAL 225 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kmd h GLY 226 N 0.00 -0.06 -1.80 2.92 0.00 -2.03 -3.48 103.07 98.62 3kmd h GLY 226 Ca 0.37 0.02 -0.51 0.00 0.00 0.00 0.00 47.33 47.21 3kmd h GLY 226 CO -0.50 -0.02 -0.69 -1.26 0.00 0.00 0.00 176.54 174.07 3kmd n SER 227 N -4.75 -2.15 -0.00 0.19 2.88 0.11 -4.98 113.62 104.92 3kmd n SER 227 Ca -0.06 0.21 0.03 0.00 -1.33 0.00 0.00 58.87 57.73 3kmd n SER 227 Cb 0.25 -1.15 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 3kmd n SER 227 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3kmd n ASP 228 N -1.46 1.52 -3.79 -3.46 5.68 -1.26 -4.51 116.55 109.26 3kmd n ASP 228 Ca 0.05 -0.40 -0.10 0.00 -0.50 0.00 0.00 54.79 53.84 3kmd n ASP 228 Cb 0.56 1.13 -0.05 0.00 -1.14 0.00 0.00 41.12 41.62 3kmd n ASP 228 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kmd s THR 230 N -3.89 3.75 -0.18 0.00 2.01 -0.75 -4.62 115.64 111.96 3kmd s THR 230 Ca 0.10 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 3kmd s THR 230 Cb 0.01 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 3kmd s THR 230 CO -0.04 0.50 0.06 -0.89 -0.69 0.00 0.00 174.62 173.57 3kmd s THR 231 N 0.34 4.82 -0.02 -0.82 2.01 -1.26 0.10 115.64 120.81 3kmd s THR 231 Ca -0.05 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 61.95 3kmd s THR 231 Cb -0.14 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3kmd s THR 231 CO 0.03 0.47 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.70 3kmd s ILE 232 N 0.32 3.42 -0.33 1.82 1.01 0.26 -4.95 121.20 122.76 3kmd s ILE 232 Ca 0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3kmd s ILE 232 Cb -0.12 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 39.97 3kmd s ILE 232 CO 0.00 0.49 0.07 -1.00 0.00 0.00 0.00 174.94 174.50 3kmd s HIS 233 N -0.87 3.27 0.17 3.97 3.76 -1.26 -0.41 115.29 123.91 3kmd s HIS 233 Ca 0.14 -1.60 0.01 0.00 -0.15 0.00 0.00 55.06 53.45 3kmd s HIS 233 Cb -0.11 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 3kmd s HIS 233 CO 0.04 -0.76 0.34 0.71 -0.85 0.00 0.00 174.74 174.21 3kmd s TYR 234 N 1.34 3.49 -0.05 1.40 2.02 -0.49 -0.82 117.35 124.24 3kmd s TYR 234 Ca -0.03 0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.96 3kmd s TYR 234 Cb -0.20 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3kmd s TYR 234 CO 0.01 0.45 -0.19 -0.80 -1.57 0.00 0.00 175.55 173.45 3kmd s ASN 235 N -3.16 2.40 -0.21 2.29 0.02 0.30 -0.38 114.94 116.20 3kmd s ASN 235 Ca 0.37 -0.39 -0.06 0.00 -1.02 0.00 0.00 52.86 51.75 3kmd s ASN 235 Cb -0.11 -0.65 -0.03 0.00 0.02 0.00 0.00 41.25 40.48 3kmd s ASN 235 CO 0.29 0.18 0.02 -0.31 0.02 0.00 0.00 177.10 177.30 3kmd s TYR 236 N -0.03 3.07 -1.97 2.20 1.51 -1.26 -1.21 117.35 119.66 3kmd s TYR 236 Ca -0.03 -0.38 0.22 0.00 -1.01 0.00 0.00 57.07 55.86 3kmd s TYR 236 Cb -0.12 -2.12 0.59 0.00 -0.11 0.00 0.00 41.96 40.20 3kmd s TYR 236 CO 0.02 -0.22 1.50 -1.33 -1.11 0.00 0.00 175.55 174.41 3kmd n MET 237 N 4.31 2.70 -4.03 -0.62 2.81 -0.29 -0.36 117.12 121.64 3kmd n MET 237 Ca -0.17 -2.56 -0.09 0.00 -1.81 0.00 0.00 57.70 53.07 3kmd n MET 237 Cb 0.52 -1.54 -0.11 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.99 6.02 0.55 0.00 0.02 -1.26 -4.77 114.94 113.51 3kmd s ASN 239 Ca -0.07 1.93 0.26 0.00 -1.02 0.00 0.00 52.86 53.95 3kmd s ASN 239 Cb -0.04 -2.55 1.47 0.00 0.02 0.00 0.00 41.25 40.15 3kmd s ASN 239 CO -0.04 -1.01 2.04 0.28 0.02 0.00 0.00 177.10 178.39 3kmd h SER 240 N 1.06 0.00 0.24 -1.22 0.02 -0.93 -1.96 113.55 110.76 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 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3kmd h SER 240 CO 0.58 0.00 -0.08 -1.54 -1.14 0.00 0.00 176.83 174.65 3kmd n SER 241 N -4.15 0.61 -4.67 3.07 3.41 -1.26 0.11 113.62 110.74 3kmd n SER 241 Ca 0.05 -0.81 -0.45 0.00 -0.26 0.00 0.00 58.87 57.40 3kmd n SER 241 Cb 0.46 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 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 3.89 4.55 0.00 0.00 0.23 -1.26 -0.45 119.30 126.25 3kmd s MET 243 Ca 0.89 1.94 0.00 0.00 -1.03 0.00 0.00 55.69 57.49 3kmd s MET 243 Cb -0.56 -3.15 0.00 0.00 -1.53 0.00 0.00 34.83 29.59 3kmd s MET 243 CO 0.45 0.08 0.00 0.41 -2.03 0.00 0.00 175.02 173.93 3kmd n GLY 244 N 1.09 1.72 0.00 3.16 0.00 -1.26 -4.62 105.19 105.28 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 2.10 0.29 -0.02 0.00 -0.75 -4.47 105.19 100.35 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 -6.63 1.61 2.07 -1.75 -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 0.05 -0.86 -1.71 1.07 0.00 0.00 176.91 175.45 3kmd n ASN 247 N -3.49 -1.64 -0.12 1.22 4.05 0.40 -0.40 115.26 115.29 3kmd n ASN 247 Ca -0.02 -1.02 -0.02 0.00 0.45 0.00 0.00 54.58 53.98 3kmd n ASN 247 Cb 0.17 -2.88 -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 -0.76 -3.18 1.20 1.74 0.31 -4.94 116.66 106.62 3kmd n ARG 248 Ca -0.14 0.31 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 3kmd n ARG 248 Cb 0.60 -3.95 -0.05 0.00 -1.02 0.00 0.00 32.46 28.04 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 -1.14 4.38 0.53 5.56 0.52 0.46 -4.93 118.95 124.32 3kmd s ARG 249 Ca 0.00 0.70 -0.22 0.00 -0.52 0.00 0.00 55.73 55.69 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 0.17 1.27 -2.14 0.02 0.00 0.00 175.30 174.62 3kmd s PRO 250 N 0.51 3.30 0.28 3.54 0.02 -1.26 -4.93 135.00 136.45 3kmd s PRO 250 Ca 0.32 2.03 0.09 0.00 0.02 0.00 0.00 61.00 63.46 3kmd s PRO 250 Cb -0.17 -2.25 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 3kmd s PRO 250 CO 0.15 -1.00 -0.13 0.96 -0.33 0.00 0.00 177.00 176.65 3kmd s ILE 251 N -1.42 2.09 0.01 2.83 -4.36 -1.24 -1.83 121.20 117.28 3kmd s ILE 251 Ca 0.70 -2.26 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 3kmd s ILE 251 Cb -0.35 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 3kmd s ILE 251 CO 0.41 -0.38 -0.03 -0.76 0.24 0.00 0.00 174.94 174.42 3kmd s LEU 252 N -3.48 3.35 -0.22 0.37 1.43 0.75 -1.42 118.68 119.46 3kmd s LEU 252 Ca 0.29 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 3kmd s LEU 252 Cb -0.01 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3kmd s LEU 252 CO 0.13 0.27 0.13 -0.89 0.23 0.00 0.00 176.35 176.22 3kmd s THR 253 N -1.07 5.20 -0.26 5.49 2.01 0.79 -1.54 115.64 126.26 3kmd s THR 253 Ca 0.19 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.23 3kmd s THR 253 Cb -0.11 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 3kmd s THR 253 CO 0.10 0.39 0.10 -0.63 -0.69 0.00 0.00 174.62 173.89 3kmd s ILE 254 N 0.77 4.48 -0.28 1.82 1.01 0.16 -1.73 121.20 127.43 3kmd s ILE 254 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 3kmd s ILE 254 Cb -0.13 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3kmd s ILE 254 CO 0.02 0.29 0.13 -0.63 0.00 0.00 0.00 174.94 174.75 3kmd s ILE 255 N 1.63 4.69 -0.09 2.92 -1.09 0.38 -1.80 121.20 127.84 3kmd s ILE 255 Ca 0.06 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3kmd s ILE 255 Cb -0.16 -3.27 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 3kmd s ILE 255 CO 0.05 0.22 -0.14 0.42 -1.23 0.00 0.00 174.94 174.26 3kmd s THR 256 N 1.66 3.04 -0.21 2.92 -4.23 0.13 -1.37 115.64 117.57 3kmd s THR 256 Ca 0.06 -0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 59.67 3kmd s THR 256 Cb -0.16 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 3kmd s THR 256 CO 0.07 0.56 0.59 -0.22 -0.54 0.00 0.00 174.62 175.08 3kmd s LEU 257 N -0.23 4.13 0.13 4.79 2.96 0.37 -1.05 118.68 129.78 3kmd s LEU 257 Ca 0.01 0.76 0.06 0.00 -0.22 0.00 0.00 54.13 54.74 3kmd s LEU 257 Cb -0.13 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 3kmd s LEU 257 CO 0.03 -0.26 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.04 3kmd s GLU 258 N 1.94 1.06 0.99 1.98 2.02 0.35 -0.00 118.70 127.04 3kmd s GLU 258 Ca 0.27 -1.26 -0.17 0.00 0.02 0.00 0.00 54.97 53.83 3kmd s GLU 258 Cb -0.16 -0.98 0.22 0.00 0.10 0.00 0.00 34.13 33.31 3kmd s GLU 258 CO 0.10 0.19 1.32 0.16 0.02 0.00 0.00 175.26 177.05 3kmd s ASP 259 N -2.47 2.82 0.58 -0.19 1.47 -0.60 0.55 116.67 118.84 3kmd s ASP 259 Ca 0.10 0.24 0.31 0.00 1.18 0.00 0.00 52.55 54.37 3kmd s ASP 259 Cb -0.05 -0.25 1.40 0.00 -0.34 0.00 0.00 42.92 43.68 3kmd s ASP 259 CO 0.04 -2.91 1.77 0.28 0.68 0.00 0.00 175.17 175.02 3kmd h SER 260 N -1.77 0.00 0.00 2.11 0.02 -1.84 -1.98 113.55 110.09 3kmd h SER 260 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3kmd h SER 260 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3kmd h SER 260 CO 0.35 0.00 -1.36 -1.20 -1.14 0.00 0.00 176.83 173.48 3kmd n SER 261 N -3.75 0.63 0.00 3.07 7.64 -1.26 -4.94 113.62 115.01 3kmd n SER 261 Ca 0.16 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.41 3kmd n SER 261 Cb 0.98 1.36 0.00 0.00 -1.01 0.00 0.00 64.21 65.54 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 1.41 1.21 3.73 0.23 0.00 -0.74 -5.09 105.19 105.93 3kmd n GLY 262 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 7.44 -0.19 1.61 0.01 -1.26 -4.80 114.94 115.74 3kmd s ASN 263 Ca 0.00 1.73 -0.29 0.00 -0.71 0.00 0.00 52.86 53.59 3kmd s ASN 263 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3kmd s ASN 263 CO 0.00 -0.06 1.84 -0.22 -1.51 0.00 0.00 177.10 177.15 3kmd s LEU 264 N 0.04 3.82 -0.18 0.60 1.98 -1.26 -1.56 118.68 122.11 3kmd s LEU 264 Ca 0.46 1.81 0.16 0.00 -2.89 0.00 0.00 54.13 53.66 3kmd s LEU 264 Cb -0.23 -3.53 -0.22 0.00 0.66 0.00 0.00 46.19 42.87 3kmd s LEU 264 CO 0.29 -1.45 0.05 0.18 -1.89 0.00 0.00 176.35 173.53 3kmd n LEU 265 N 9.31 0.12 -3.58 -0.68 4.77 1.00 -4.95 117.00 122.99 3kmd n LEU 265 Ca 0.22 -0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 56.14 3kmd n LEU 265 Cb 0.45 0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.92 3kmd n LEU 265 CO 0.66 0.47 0.93 -0.83 -1.33 0.00 0.00 177.39 177.29 3kmd s GLY 266 N -5.31 -0.34 -0.15 -0.72 0.00 -0.92 -4.19 107.32 95.69 3kmd s GLY 266 Ca -0.10 1.38 -0.14 0.00 0.00 0.00 0.00 44.72 45.86 3kmd s GLY 266 CO 0.75 0.45 0.41 -1.60 0.00 0.00 0.00 173.10 173.11 3kmd s ARG 267 N -2.61 0.48 0.19 2.90 3.52 0.10 -0.48 118.95 123.06 3kmd s ARG 267 Ca 0.09 0.58 -0.06 0.00 -0.13 0.00 0.00 55.73 56.20 3kmd s ARG 267 Cb -0.01 0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 3kmd s ARG 267 CO -0.06 -0.06 0.25 -0.80 -0.81 0.00 0.00 175.30 173.82 3kmd s ASN 268 N 0.26 0.08 0.14 -2.12 -0.87 -0.47 -0.73 114.94 111.23 3kmd s ASN 268 Ca -0.00 -1.11 -0.19 0.00 -1.57 0.00 0.00 52.86 49.98 3kmd s ASN 268 Cb -0.03 0.44 0.05 0.00 -0.02 0.00 0.00 41.25 41.68 3kmd s ASN 268 CO 0.00 -0.92 0.49 -0.94 -2.57 0.00 0.00 177.10 173.16 3kmd s SER 269 N -3.06 -0.37 0.03 -1.22 1.04 -1.26 -0.47 113.70 108.39 3kmd s SER 269 Ca 0.27 -0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.35 3kmd s SER 269 Cb 0.04 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3kmd s SER 269 CO 0.07 -0.91 0.35 0.72 0.98 0.00 0.00 173.24 174.44 3kmd s PHE 270 N -3.79 -0.18 0.47 5.02 -0.71 -0.71 -4.99 117.98 113.09 3kmd s PHE 270 Ca 0.02 0.13 -0.20 0.00 -1.04 0.00 0.00 56.93 55.84 3kmd s PHE 270 Cb 0.01 0.15 -0.09 0.00 -1.21 0.00 0.00 43.02 41.87 3kmd s PHE 270 CO -0.12 -0.51 0.98 -2.00 -1.34 0.00 0.00 175.22 172.23 3kmd s GLU 271 N -2.32 4.03 -0.03 1.99 2.12 -0.48 -0.15 118.70 123.85 3kmd s GLU 271 Ca -0.06 1.15 0.02 0.00 0.36 0.00 0.00 54.97 56.44 3kmd s GLU 271 Cb -0.01 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.24 3kmd s GLU 271 CO -0.02 -0.21 -0.08 0.08 -0.54 0.00 0.00 175.26 174.49 3kmd s VAL 272 N -2.23 0.73 -0.20 3.70 1.01 -0.51 -0.01 120.40 122.89 3kmd s VAL 272 Ca 0.63 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3kmd s VAL 272 Cb -0.11 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3kmd s VAL 272 CO 0.19 0.24 -0.17 -0.60 0.00 0.00 0.00 175.10 174.77 3kmd s ARG 273 N 0.35 2.89 -0.26 2.72 3.52 -0.11 -3.67 118.95 124.39 3kmd s ARG 273 Ca -0.05 -0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 54.52 3kmd s ARG 273 Cb -0.10 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.56 3kmd s ARG 273 CO 0.01 -0.28 0.21 0.08 -0.81 0.00 0.00 175.30 174.51 3kmd s VAL 274 N 1.28 5.31 0.23 7.11 1.01 -1.26 -1.55 120.40 132.52 3kmd s VAL 274 Ca 0.03 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 3kmd s VAL 274 Cb -0.14 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3kmd s VAL 274 CO -0.11 0.27 0.55 0.00 0.00 0.00 0.00 175.10 175.82 3kmd h ALA 276 N 2.17 0.61 -2.67 0.00 0.00 -1.97 -3.34 119.26 114.07 3kmd h ALA 276 Ca -0.26 -0.61 -0.60 0.00 0.00 0.00 0.00 54.91 53.44 3kmd h ALA 276 Cb 1.26 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.57 3kmd h ALA 276 CO 0.34 0.77 -0.71 0.00 0.00 0.00 0.00 179.25 179.65 3kmd h PRO 278 N 5.11 0.60 -0.22 0.00 0.11 -1.69 -0.99 132.00 134.92 3kmd h PRO 278 Ca 0.18 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 3kmd h PRO 278 Cb 0.78 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 3kmd h PRO 278 CO 0.64 0.40 0.08 0.78 -0.21 0.00 0.00 178.00 179.69 3kmd h GLY 279 N 0.62 0.36 0.64 -0.55 0.00 -0.91 0.16 103.07 103.39 3kmd h GLY 279 Ca 0.33 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3kmd h GLY 279 CO -0.24 0.19 -0.07 -0.09 0.00 0.00 0.00 176.54 176.32 3kmd h ARG 280 N 0.20 -0.07 -0.22 4.80 2.43 -1.04 -2.10 114.38 118.38 3kmd h ARG 280 Ca 0.07 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 3kmd h ARG 280 Cb 0.20 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3kmd h ARG 280 CO -0.00 -0.04 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.52 3kmd h ASP 281 N -0.07 0.61 -0.31 -3.80 3.32 -1.00 -1.61 116.42 113.56 3kmd h ASP 281 Ca 0.07 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3kmd h ASP 281 Cb 0.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kmd h ASP 281 CO -0.17 0.97 0.16 -0.09 -1.72 0.00 0.00 179.24 178.38 3kmd h ARG 282 N 0.46 0.45 -0.70 3.56 2.43 -0.61 -1.80 114.38 118.17 3kmd h ARG 282 Ca 0.03 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3kmd h ARG 282 Cb 0.96 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3kmd h ARG 282 CO 0.09 0.41 0.22 0.00 -1.51 0.00 0.00 179.97 179.17 3kmd h ARG 283 N 0.37 1.07 -0.04 0.20 3.08 -1.15 -1.14 114.38 116.77 3kmd h ARG 283 Ca 0.11 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kmd h ARG 283 Cb 0.10 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3kmd h ARG 283 CO -0.01 0.91 0.02 1.15 -1.07 0.00 0.00 179.97 180.97 3kmd h THR 284 N 1.03 1.01 -0.32 2.04 2.02 -1.13 -0.07 112.91 117.49 3kmd h THR 284 Ca 0.23 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 3kmd h THR 284 Cb 0.28 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3kmd h THR 284 CO -0.01 0.01 -0.15 -0.33 0.37 0.00 0.00 175.52 175.41 3kmd h GLU 285 N 0.05 0.57 -0.37 6.66 5.08 -1.13 -1.13 114.58 124.31 3kmd h GLU 285 Ca 0.01 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 3kmd h GLU 285 Cb -0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3kmd h GLU 285 CO -0.00 0.70 -0.11 0.93 -1.00 0.00 0.00 179.01 179.53 3kmd h GLU 286 N 0.52 0.73 -0.59 2.33 5.08 -1.01 -2.84 114.58 118.80 3kmd h GLU 286 Ca 0.09 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3kmd h GLU 286 Cb 0.57 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3kmd h GLU 286 CO 0.04 0.89 0.29 0.93 -1.00 0.00 0.00 179.01 180.16 3kmd h GLU 287 N 0.52 0.53 0.00 2.33 5.08 -0.81 -2.42 114.58 119.82 3kmd h GLU 287 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kmd h GLU 287 Cb 0.63 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kmd h GLU 287 CO 0.04 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.49 3kmd n ASN 288 N -4.87 0.40 0.14 1.42 5.03 -0.44 -1.35 115.26 115.59 3kmd n ASN 288 Ca 0.07 0.64 0.01 0.00 0.87 0.00 0.00 54.58 56.17 3kmd n ASN 288 Cb 0.18 -0.71 0.35 0.00 -1.02 0.00 0.00 39.78 38.58 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 0.14 -0.14 3.41 5.85 -1.20 -1.54 115.31 121.83 3kmd h LEU 289 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3kmd h LEU 289 Cb 0.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kmd h LEU 289 CO 0.00 0.43 -0.02 0.54 -0.34 0.00 0.00 178.44 179.05 3kmd n ARG 290 N -4.16 0.85 0.00 1.25 5.12 -0.46 -5.15 116.66 114.12 3kmd n ARG 290 Ca -0.01 -0.14 0.06 0.00 -1.93 0.00 0.00 57.85 55.83 3kmd n ARG 290 Cb 0.37 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.22 3kmd n ARG 290 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33