#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqa s VAL 2 N 0.00 3.45 -0.04 2.53 -7.23 -0.29 -5.02 120.40 113.80 2oqa s VAL 2 Ca 0.00 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.39 2oqa s VAL 2 Cb 0.00 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.91 2oqa s VAL 2 CO 0.00 -0.26 0.28 -0.94 -0.31 0.00 0.00 175.10 173.88 2oqa s SER 3 N -3.82 -0.19 -0.06 4.85 1.04 -1.26 -0.75 113.70 113.51 2oqa s SER 3 Ca 0.36 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2oqa s SER 3 Cb -0.05 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2oqa s SER 3 CO 0.23 -0.35 -0.03 0.12 0.98 0.00 0.00 173.24 174.18 2oqa s PHE 4 N -0.98 0.75 -0.21 5.02 5.36 0.04 -4.80 117.98 123.16 2oqa s PHE 4 Ca -0.11 -0.21 -0.05 0.00 -0.96 0.00 0.00 56.93 55.60 2oqa s PHE 4 Cb -0.05 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 41.89 2oqa s PHE 4 CO 0.03 -0.25 -0.01 -1.12 -1.46 0.00 0.00 175.22 172.42 2oqa s SER 5 N 1.27 4.69 0.26 6.13 0.01 -1.26 -1.77 113.70 123.03 2oqa s SER 5 Ca -0.05 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.95 2oqa s SER 5 Cb -0.14 -1.81 0.33 0.00 0.21 0.00 0.00 66.02 64.61 2oqa s SER 5 CO -0.02 0.03 1.67 -0.07 0.41 0.00 0.00 173.24 175.26 2oqa h LEU 6 N 7.76 0.55 -9.30 2.44 3.38 -1.40 -3.35 115.31 115.38 2oqa h LEU 6 Ca -0.38 -0.20 -0.54 0.00 0.09 0.00 0.00 57.88 56.85 2oqa h LEU 6 Cb 1.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2oqa h LEU 6 CO 0.60 0.82 1.08 -0.55 0.09 0.00 0.00 178.44 180.48 2oqa s SER 7 N -6.81 6.64 0.00 -0.43 0.15 -1.25 -1.47 113.70 110.52 2oqa s SER 7 Ca -0.07 2.31 0.00 0.00 0.70 0.00 0.00 55.95 58.89 2oqa s SER 7 Cb 0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2oqa s SER 7 CO 0.81 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2oqa n GLY 8 N 4.13 0.61 3.77 9.45 0.00 -1.26 -5.03 105.19 116.87 2oqa n GLY 8 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2oqa n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oqa s SER 9 N -2.16 4.91 0.27 1.61 1.04 -0.54 -5.00 113.70 113.82 2oqa s SER 9 Ca 0.00 1.91 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 2oqa s SER 9 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2oqa s SER 9 CO 0.00 -1.76 0.41 -0.94 0.98 0.00 0.00 173.24 171.92 2oqa s SER 10 N -2.96 0.28 0.27 7.02 1.04 -1.26 -4.99 113.70 113.10 2oqa s SER 10 Ca 0.64 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 2oqa s SER 10 Cb -0.19 0.57 0.47 0.00 0.10 0.00 0.00 66.02 66.98 2oqa s SER 10 CO 0.47 -1.13 1.84 0.77 0.98 0.00 0.00 173.24 176.18 2oqa h SER 11 N 2.28 0.91 -0.10 7.02 4.64 -1.97 -1.65 113.55 124.68 2oqa h SER 11 Ca -0.29 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2oqa h SER 11 Cb 1.25 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2oqa h SER 11 CO 0.40 0.52 0.04 0.74 -0.87 0.00 0.00 176.83 177.66 2oqa h THR 12 N 1.01 1.16 -0.13 2.95 2.02 -1.99 -1.54 112.91 116.38 2oqa h THR 12 Ca 0.46 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 2oqa h THR 12 Cb 0.36 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2oqa h THR 12 CO -0.23 0.14 -0.38 0.77 0.37 0.00 0.00 175.52 176.19 2oqa h SER 13 N -0.01 0.29 -0.19 4.18 4.64 -1.89 -1.20 113.55 119.37 2oqa h SER 13 Ca 0.03 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2oqa h SER 13 Cb 0.19 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2oqa h SER 13 CO -0.00 0.65 0.03 0.22 -0.87 0.00 0.00 176.83 176.86 2oqa h TYR 14 N 0.24 0.34 -0.66 4.77 3.20 -1.21 -1.45 116.97 122.20 2oqa h TYR 14 Ca 0.03 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2oqa h TYR 14 Cb 0.78 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 2oqa h TYR 14 CO 0.02 0.47 0.34 0.77 -1.64 0.00 0.00 178.16 178.11 2oqa h SER 15 N 0.11 0.83 -0.44 -2.11 0.02 -1.10 -0.31 113.55 110.55 2oqa h SER 15 Ca 0.06 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2oqa h SER 15 Cb 0.32 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2oqa h SER 15 CO 0.00 0.69 0.26 0.50 -1.14 0.00 0.00 176.83 177.14 2oqa h LYS 16 N 0.93 0.60 -0.07 3.45 3.11 -1.10 -0.40 116.57 123.09 2oqa h LYS 16 Ca 0.23 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 2oqa h LYS 16 Cb 0.07 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.17 2oqa h LYS 16 CO -0.03 0.46 0.04 0.35 -2.81 0.00 0.00 179.45 177.46 2oqa h PHE 17 N 0.58 0.09 -0.80 1.91 3.57 -0.66 -0.20 116.94 121.43 2oqa h PHE 17 Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2oqa h PHE 17 Cb 0.02 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2oqa h PHE 17 CO -0.03 0.08 0.43 0.82 -2.23 0.00 0.00 178.31 177.38 2oqa h ILE 18 N 0.07 1.24 -0.68 1.41 1.08 -0.95 -0.49 117.51 119.18 2oqa h ILE 18 Ca 0.02 -0.59 -0.06 0.00 -0.39 0.00 0.00 64.86 63.84 2oqa h ILE 18 Cb 0.01 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.89 2oqa h ILE 18 CO -0.00 0.27 0.20 1.23 -0.69 0.00 0.00 178.15 179.15 2oqa h GLY 19 N 1.15 1.14 1.01 5.37 0.00 -0.79 -1.15 103.07 109.80 2oqa h GLY 19 Ca 0.28 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2oqa h GLY 19 CO -0.04 0.63 0.08 0.00 0.00 0.00 0.00 176.54 177.20 2oqa h ALA 20 N 1.19 0.73 -0.35 3.60 0.00 -0.50 -1.07 119.26 122.85 2oqa h ALA 20 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2oqa h ALA 20 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2oqa h ALA 20 CO -0.00 0.49 0.20 1.25 0.00 0.00 0.00 179.25 181.18 2oqa h LEU 21 N 0.81 0.44 -0.77 0.00 5.85 -0.85 -0.75 115.31 120.03 2oqa h LEU 21 Ca 0.16 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2oqa h LEU 21 Cb 0.43 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2oqa h LEU 21 CO 0.01 0.39 0.48 0.03 -0.34 0.00 0.00 178.44 179.02 2oqa h ARG 22 N 0.45 0.89 0.00 1.25 3.08 -1.05 -2.54 114.38 116.46 2oqa h ARG 22 Ca 0.13 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2oqa h ARG 22 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2oqa h ARG 22 CO -0.02 0.59 -0.22 0.87 -1.07 0.00 0.00 179.97 180.12 2oqa h LYS 23 N 0.92 0.00 0.00 0.04 1.57 -0.82 -2.83 116.57 115.45 2oqa h LYS 23 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2oqa h LYS 23 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2oqa h LYS 23 CO -0.14 0.22 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 2oqa h ALA 24 N 1.78 1.00 -2.37 3.86 0.00 -0.70 -3.44 119.26 119.39 2oqa h ALA 24 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2oqa h ALA 24 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2oqa h ALA 24 CO 0.03 0.00 0.38 -0.51 0.00 0.00 0.00 179.25 179.15 2oqa s LEU 25 N -5.84 4.13 0.61 0.00 1.43 -1.07 -4.99 118.68 112.96 2oqa s LEU 25 Ca 0.05 1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 54.03 2oqa s LEU 25 Cb 0.08 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 2oqa s LEU 25 CO 0.59 -0.43 1.19 -2.16 0.23 0.00 0.00 176.35 175.77 2oqa s PRO 26 N 2.40 2.88 0.29 1.29 0.04 -1.26 -5.04 135.00 135.59 2oqa s PRO 26 Ca 0.35 1.74 0.12 0.00 0.04 0.00 0.00 61.00 63.25 2oqa s PRO 26 Cb -0.16 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2oqa s PRO 26 CO 0.10 -1.26 -0.18 -1.54 0.04 0.00 0.00 177.00 174.16 2oqa s SER 27 N -1.79 3.62 -0.59 6.66 1.04 -1.26 -3.76 113.70 117.62 2oqa s SER 27 Ca 0.75 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 56.16 2oqa s SER 27 Cb -0.28 -0.31 0.40 0.00 0.10 0.00 0.00 66.02 65.92 2oqa s SER 27 CO 0.35 0.01 1.47 -3.20 0.98 0.00 0.00 173.24 172.85 2oqa n ASN 28 N -0.65 5.83 0.00 7.02 5.15 -0.26 -4.83 115.26 127.53 2oqa n ASN 28 Ca -0.05 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.16 2oqa n ASN 28 Cb 0.60 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 2oqa n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oqa n GLY 29 N -0.52 -1.85 3.23 8.20 0.00 -1.26 -4.87 105.19 108.11 2oqa n GLY 29 Ca 0.45 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 2oqa n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oqa s THR 30 N 0.00 1.20 -0.10 2.61 -4.23 -1.26 -1.41 115.64 112.46 2oqa s THR 30 Ca 0.00 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2oqa s THR 30 Cb 0.00 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.32 2oqa s THR 30 CO 0.00 -0.51 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.78 2oqa s VAL 31 N -2.42 1.14 -1.58 2.29 1.01 -0.17 -4.72 120.40 115.95 2oqa s VAL 31 Ca 0.09 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2oqa s VAL 31 Cb -0.03 -1.09 0.09 0.00 0.00 0.00 0.00 36.38 35.35 2oqa s VAL 31 CO 0.02 0.37 0.67 -1.22 0.00 0.00 0.00 175.10 174.95 2oqa n TYR 32 N 4.44 -1.77 -1.55 5.22 4.01 -1.26 -0.79 117.16 125.47 2oqa n TYR 32 Ca -0.17 0.79 -0.19 0.00 -0.16 0.00 0.00 57.90 58.17 2oqa n TYR 32 Cb 0.51 -3.35 -0.08 0.00 -0.31 0.00 0.00 39.34 36.11 2oqa n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2oqa n ASN 33 N -2.80 -5.36 -4.54 7.72 5.15 -1.26 -4.99 115.26 109.18 2oqa n ASN 33 Ca -0.07 0.47 -0.34 0.00 -0.60 0.00 0.00 54.58 54.04 2oqa n ASN 33 Cb 0.57 -4.52 -0.11 0.00 -0.53 0.00 0.00 39.78 35.18 2oqa n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2oqa s ILE 34 N -2.67 3.98 0.03 -1.44 1.01 0.03 -5.05 121.20 117.09 2oqa s ILE 34 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 60.65 59.96 2oqa s ILE 34 Cb 0.00 -2.72 -0.14 0.00 0.01 0.00 0.00 42.46 39.61 2oqa s ILE 34 CO 0.00 0.52 1.65 0.41 0.00 0.00 0.00 174.94 177.52 2oqa n THR 35 N 3.17 0.21 -3.50 2.92 -1.04 -1.24 -1.00 114.28 113.80 2oqa n THR 35 Ca -0.18 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.41 2oqa n THR 35 Cb 0.53 -1.49 -0.10 0.00 -1.82 0.00 0.00 70.33 67.44 2oqa n THR 35 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2oqa s LEU 36 N 2.07 4.04 0.91 -4.42 2.96 -0.50 -0.54 118.68 123.20 2oqa s LEU 36 Ca 0.86 0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 54.77 2oqa s LEU 36 Cb -0.77 -2.25 0.14 0.00 0.50 0.00 0.00 46.19 43.80 2oqa s LEU 36 CO 0.46 -0.11 1.09 -0.76 -1.32 0.00 0.00 176.35 175.71 2oqa s LEU 37 N 1.90 2.32 0.41 -0.68 1.43 -0.63 -1.10 118.68 122.32 2oqa s LEU 37 Ca 0.10 1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 54.61 2oqa s LEU 37 Cb -0.16 -4.06 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 2oqa s LEU 37 CO 0.11 -2.78 1.19 -0.76 0.23 0.00 0.00 176.35 174.33 2oqa s LEU 38 N -6.34 4.18 0.35 1.79 1.43 -1.25 -4.33 118.68 114.51 2oqa s LEU 38 Ca 0.64 2.39 0.19 0.00 -1.03 0.00 0.00 54.13 56.32 2oqa s LEU 38 Cb -0.19 -4.02 0.35 0.00 0.03 0.00 0.00 46.19 42.36 2oqa s LEU 38 CO 0.58 -0.72 1.58 0.77 0.23 0.00 0.00 176.35 178.79 2oqa h SER 39 N 2.60 0.00 -5.02 2.29 4.64 -1.90 -3.42 113.55 112.74 2oqa h SER 39 Ca -0.49 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.78 2oqa h SER 39 Cb 1.24 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 2oqa h SER 39 CO 0.62 0.35 0.07 -0.94 -0.87 0.00 0.00 176.83 176.06 2oqa s SER 40 N -6.35 -0.46 0.15 4.97 1.04 -1.26 -5.05 113.70 106.75 2oqa s SER 40 Ca 0.03 0.13 -0.23 0.00 0.48 0.00 0.00 55.95 56.36 2oqa s SER 40 Cb 0.08 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.78 2oqa s SER 40 CO 0.70 -0.77 0.59 0.00 0.98 0.00 0.00 173.24 174.75 2oqa s ALA 41 N -2.73 -1.58 0.03 5.32 0.00 -1.26 -5.03 121.76 116.51 2oqa s ALA 41 Ca -0.04 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.51 2oqa s ALA 41 Cb -0.00 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2oqa s ALA 41 CO -0.04 -0.74 -0.23 -1.54 0.00 0.00 0.00 175.76 173.20 2oqa s SER 42 N -2.68 2.77 0.94 0.00 1.04 -1.26 -4.82 113.70 109.70 2oqa s SER 42 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2oqa s SER 42 Cb -0.01 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2oqa s SER 42 CO -0.12 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2oqa n GLY 43 N 1.96 1.72 0.25 7.32 0.00 -1.26 -2.58 105.19 112.60 2oqa n GLY 43 Ca -0.17 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.42 2oqa n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqa h ALA 44 N -0.94 1.50 0.00 4.61 0.00 -1.96 -2.63 119.26 119.83 2oqa h ALA 44 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2oqa h ALA 44 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2oqa h ALA 44 CO 0.00 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 2oqa n SER 45 N -3.96 0.00 0.00 0.00 3.41 -1.07 -1.70 113.62 110.30 2oqa n SER 45 Ca -0.02 0.28 0.14 0.00 -0.26 0.00 0.00 58.87 59.01 2oqa n SER 45 Cb 0.21 -0.40 0.77 0.00 -0.26 0.00 0.00 64.21 64.54 2oqa n SER 45 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2oqa n ARG 46 N -1.40 0.56 -4.41 4.33 0.63 -0.99 -4.80 116.66 110.58 2oqa n ARG 46 Ca 0.06 0.01 -0.24 0.00 -0.92 0.00 0.00 57.85 56.76 2oqa n ARG 46 Cb 0.16 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.44 2oqa n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2oqa s TYR 47 N -2.41 1.73 0.07 -0.14 2.02 -0.69 -0.65 117.35 117.28 2oqa s TYR 47 Ca 0.32 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2oqa s TYR 47 Cb 0.20 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 2oqa s TYR 47 CO 0.41 0.15 -0.23 -0.08 -1.57 0.00 0.00 175.55 174.23 2oqa s THR 48 N -1.02 1.86 -0.06 -0.71 -1.32 -0.48 -4.92 115.64 108.99 2oqa s THR 48 Ca 0.06 -1.39 -0.02 0.00 -1.21 0.00 0.00 61.69 59.13 2oqa s THR 48 Cb -0.09 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 2oqa s THR 48 CO 0.03 0.17 0.04 -0.76 -2.21 0.00 0.00 174.62 171.89 2oqa s LEU 49 N -1.47 3.78 -0.21 9.08 1.43 -1.26 -0.98 118.68 129.05 2oqa s LEU 49 Ca 0.09 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2oqa s LEU 49 Cb -0.09 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.20 2oqa s LEU 49 CO 0.03 0.35 -0.01 -0.32 0.23 0.00 0.00 176.35 176.63 2oqa s MET 50 N -1.16 1.16 -0.12 1.70 -2.45 0.26 -1.14 119.30 117.55 2oqa s MET 50 Ca 0.16 -0.68 -0.22 0.00 -1.25 0.00 0.00 55.69 53.70 2oqa s MET 50 Cb -0.12 -2.31 -0.03 0.00 1.25 0.00 0.00 34.83 33.62 2oqa s MET 50 CO 0.06 -0.60 0.67 0.21 1.05 0.00 0.00 175.02 176.41 2oqa s LYS 51 N 1.63 4.35 -0.10 4.11 2.20 0.07 -0.35 119.74 131.65 2oqa s LYS 51 Ca -0.03 0.78 0.03 0.00 -0.36 0.00 0.00 55.97 56.38 2oqa s LYS 51 Cb -0.18 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2oqa s LYS 51 CO -0.07 -0.05 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.17 2oqa s LEU 52 N 1.22 1.93 -0.04 5.43 1.43 0.22 -0.78 118.68 128.09 2oqa s LEU 52 Ca 0.34 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 2oqa s LEU 52 Cb -0.17 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2oqa s LEU 52 CO 0.14 0.09 -0.23 -0.44 0.23 0.00 0.00 176.35 176.15 2oqa s SER 53 N 0.64 2.72 1.00 2.29 0.01 -0.73 -1.18 113.70 118.46 2oqa s SER 53 Ca -0.13 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.53 2oqa s SER 53 Cb -0.16 -0.54 0.23 0.00 0.21 0.00 0.00 66.02 65.76 2oqa s SER 53 CO 0.03 0.25 1.35 -0.46 0.41 0.00 0.00 173.24 174.82 2oqa n ASN 54 N 2.77 0.10 -0.12 2.44 0.23 -0.23 -1.31 115.26 119.14 2oqa n ASN 54 Ca -0.17 -1.49 0.08 0.00 -0.53 0.00 0.00 54.58 52.47 2oqa n ASN 54 Cb 0.52 -1.03 0.41 0.00 -2.08 0.00 0.00 39.78 37.60 2oqa n ASN 54 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2oqa h TYR 55 N -1.78 0.63 0.00 -2.53 0.05 -1.89 -0.81 116.97 110.64 2oqa h TYR 55 Ca -0.44 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.36 2oqa h TYR 55 Cb 1.20 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2oqa h TYR 55 CO 0.00 0.33 0.00 -0.25 -1.05 0.00 0.00 178.16 177.19 2oqa n ASP 56 N -4.48 0.00 0.00 3.88 8.00 -1.26 -4.50 116.55 118.20 2oqa n ASP 56 Ca 0.09 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2oqa n ASP 56 Cb 0.25 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2oqa n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oqa n GLY 57 N 0.88 0.73 3.71 0.44 0.00 -0.31 -5.03 105.19 105.60 2oqa n GLY 57 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2oqa n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqa s LYS 58 N -0.28 4.50 0.08 1.61 -0.14 -1.26 -4.74 119.74 119.51 2oqa s LYS 58 Ca 0.00 1.51 0.08 0.00 -1.36 0.00 0.00 55.97 56.21 2oqa s LYS 58 Cb 0.00 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 2oqa s LYS 58 CO 0.00 -0.15 -0.20 0.00 -0.76 0.00 0.00 175.35 174.23 2oqa s ALA 59 N 1.21 2.54 0.18 5.17 0.00 -1.26 -1.07 121.76 128.54 2oqa s ALA 59 Ca 0.53 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 51.27 2oqa s ALA 59 Cb -0.23 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 2oqa s ALA 59 CO 0.27 0.57 -0.13 0.96 0.00 0.00 0.00 175.76 177.42 2oqa s ILE 60 N -0.99 1.54 -0.15 0.00 -4.36 -0.33 -4.78 121.20 112.13 2oqa s ILE 60 Ca 0.15 -2.13 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 2oqa s ILE 60 Cb -0.10 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.68 2oqa s ILE 60 CO 0.06 -0.63 -0.17 -0.89 0.24 0.00 0.00 174.94 173.56 2oqa s THR 61 N -3.01 1.74 -0.14 8.37 2.01 -0.74 -0.61 115.64 123.27 2oqa s THR 61 Ca 0.20 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 2oqa s THR 61 Cb -0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2oqa s THR 61 CO 0.05 0.49 0.03 -0.69 -0.69 0.00 0.00 174.62 173.80 2oqa s VAL 62 N 1.29 4.50 -0.16 3.82 1.01 0.52 -0.36 120.40 131.04 2oqa s VAL 62 Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 2oqa s VAL 62 Cb -0.13 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2oqa s VAL 62 CO -0.09 0.53 0.29 0.00 0.00 0.00 0.00 175.10 175.83 2oqa s ALA 63 N -0.20 3.60 -0.08 5.51 0.00 -0.20 -0.57 121.76 129.83 2oqa s ALA 63 Ca 0.06 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.61 2oqa s ALA 63 Cb -0.12 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 2oqa s ALA 63 CO 0.02 0.11 -0.22 0.42 0.00 0.00 0.00 175.76 176.09 2oqa s ILE 64 N 0.41 2.35 -0.21 0.00 1.01 -0.15 -0.51 121.20 124.10 2oqa s ILE 64 Ca 0.16 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 2oqa s ILE 64 Cb -0.13 -1.89 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 2oqa s ILE 64 CO 0.04 0.56 1.17 -0.62 0.00 0.00 0.00 174.94 176.09 2oqa s ASP 65 N -0.07 6.98 0.34 3.58 -1.08 0.15 -1.39 116.67 125.19 2oqa s ASP 65 Ca -0.05 1.51 0.26 0.00 -0.52 0.00 0.00 52.55 53.75 2oqa s ASP 65 Cb -0.14 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.82 2oqa s ASP 65 CO 0.04 -0.75 1.79 -0.37 0.52 0.00 0.00 175.17 176.40 2oqa h VAL 66 N 5.52 0.00 0.00 1.11 -1.51 -1.21 0.43 116.25 120.59 2oqa h VAL 66 Ca -0.23 -0.36 -0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2oqa h VAL 66 Cb 1.08 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2oqa h VAL 66 CO 0.98 0.00 -0.02 0.71 -1.23 0.00 0.00 177.57 178.01 2oqa h THR 67 N 0.00 0.03 0.00 7.19 1.35 -1.81 -3.38 112.91 116.29 2oqa h THR 67 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2oqa h THR 67 Cb 0.47 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2oqa h THR 67 CO 0.00 0.02 0.00 -0.46 -0.25 0.00 0.00 175.52 174.83 2oqa n ASN 68 N -3.11 0.00 -2.03 5.36 0.23 -1.12 -4.56 115.26 110.03 2oqa n ASN 68 Ca 0.03 -1.00 -0.20 0.00 -0.53 0.00 0.00 54.58 52.88 2oqa n ASN 68 Cb 0.48 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.14 2oqa n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2oqa n VAL 69 N 0.00 -0.52 -2.77 3.53 0.31 0.12 -4.99 118.33 114.02 2oqa n VAL 69 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 2oqa n VAL 69 Cb 0.32 -2.40 -0.05 0.00 -0.91 0.00 0.00 33.84 30.80 2oqa n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2oqa s TYR 70 N -2.85 3.91 0.10 3.52 1.51 -1.22 -4.81 117.35 117.50 2oqa s TYR 70 Ca 0.00 1.83 -0.30 0.00 -1.01 0.00 0.00 57.07 57.59 2oqa s TYR 70 Cb 0.00 -2.99 -0.06 0.00 -0.11 0.00 0.00 41.96 38.80 2oqa s TYR 70 CO 0.00 0.36 1.12 0.42 -1.11 0.00 0.00 175.55 176.34 2oqa s ILE 71 N -0.68 4.11 -0.15 2.71 1.01 -1.26 -0.67 121.20 126.26 2oqa s ILE 71 Ca 0.43 1.62 0.07 0.00 0.00 0.00 0.00 60.65 62.77 2oqa s ILE 71 Cb -0.25 -4.04 -0.23 0.00 0.01 0.00 0.00 42.46 37.96 2oqa s ILE 71 CO 0.30 0.19 0.23 0.23 0.00 0.00 0.00 174.94 175.89 2oqa n MET 72 N 3.32 0.68 -3.74 2.79 2.81 0.33 -4.88 117.12 118.43 2oqa n MET 72 Ca 0.06 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2oqa n MET 72 Cb 0.47 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2oqa n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oqa n GLY 73 N 1.87 -1.31 3.37 3.03 0.00 -1.24 -1.72 105.19 109.20 2oqa n GLY 73 Ca -0.31 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 2oqa n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2oqa s TYR 74 N -3.00 -0.06 -0.10 1.61 1.13 0.01 -1.03 117.35 115.92 2oqa s TYR 74 Ca 0.00 -0.29 0.03 0.00 -1.41 0.00 0.00 57.07 55.40 2oqa s TYR 74 Cb 0.00 0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 41.07 2oqa s TYR 74 CO 0.00 -0.76 -0.19 -1.17 -2.51 0.00 0.00 175.55 170.93 2oqa s LEU 75 N -2.86 2.42 -0.02 -3.49 2.96 0.52 -0.50 118.68 117.71 2oqa s LEU 75 Ca 0.07 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2oqa s LEU 75 Cb 0.01 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.21 2oqa s LEU 75 CO -0.07 0.20 -0.05 0.54 -1.32 0.00 0.00 176.35 175.65 2oqa s VAL 76 N 0.13 0.49 0.00 1.68 0.11 -0.41 -1.78 120.40 120.61 2oqa s VAL 76 Ca -0.09 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2oqa s VAL 76 Cb -0.15 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2oqa s VAL 76 CO 0.06 0.18 0.00 0.59 -3.33 0.00 0.00 175.10 172.59 2oqa n ASN 77 N 3.48 0.00 -0.62 3.54 3.02 -1.26 -0.91 115.26 122.52 2oqa n ASN 77 Ca -0.20 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.43 2oqa n ASN 77 Cb 0.54 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.92 2oqa n ASN 77 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2oqa n SER 78 N 7.76 3.04 -4.17 6.41 7.64 -1.26 -4.99 113.62 128.05 2oqa n SER 78 Ca 0.00 -3.19 -0.29 0.00 1.01 0.00 0.00 58.87 56.40 2oqa n SER 78 Cb 0.00 -0.52 -0.17 0.00 -1.01 0.00 0.00 64.21 62.52 2oqa n SER 78 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2oqa s THR 79 N -2.93 1.75 0.09 0.44 2.01 -0.09 -1.32 115.64 115.60 2oqa s THR 79 Ca 0.39 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.58 2oqa s THR 79 Cb 0.33 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2oqa s THR 79 CO 0.05 0.49 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.49 2oqa s SER 80 N 0.26 4.79 -0.10 3.53 1.04 -0.07 -1.29 113.70 121.86 2oqa s SER 80 Ca -0.13 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.07 2oqa s SER 80 Cb -0.16 -1.07 0.02 0.00 0.10 0.00 0.00 66.02 64.92 2oqa s SER 80 CO 0.06 0.18 -0.11 -0.31 0.98 0.00 0.00 173.24 174.04 2oqa s TYR 81 N -1.25 1.64 0.02 5.02 1.51 0.35 -0.17 117.35 124.46 2oqa s TYR 81 Ca 0.24 -0.78 0.08 0.00 -1.01 0.00 0.00 57.07 55.60 2oqa s TYR 81 Cb -0.11 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2oqa s TYR 81 CO 0.16 -0.46 -0.24 -0.06 -1.11 0.00 0.00 175.55 173.84 2oqa s PHE 82 N 1.28 2.09 0.66 2.71 0.40 -0.55 -0.81 117.98 123.76 2oqa s PHE 82 Ca -0.02 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 2oqa s PHE 82 Cb -0.14 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 2oqa s PHE 82 CO -0.04 0.06 1.19 1.19 0.70 0.00 0.00 175.22 178.31 2oqa n PHE 83 N 2.06 1.53 -2.50 0.36 3.72 -0.70 -0.90 117.46 121.04 2oqa n PHE 83 Ca -0.16 0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 57.22 2oqa n PHE 83 Cb 0.52 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 2oqa n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2oqa n ASN 84 N -1.72 4.85 -3.54 4.37 4.05 -0.15 -4.39 115.26 118.72 2oqa n ASN 84 Ca 0.15 -2.95 -0.17 0.00 0.45 0.00 0.00 54.58 52.07 2oqa n ASN 84 Cb 0.48 -1.65 -0.06 0.00 1.23 0.00 0.00 39.78 39.79 2oqa n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 2oqa s GLU 85 N 2.75 1.04 0.34 1.20 -1.05 -1.26 -3.96 118.70 117.76 2oqa s GLU 85 Ca 0.48 0.10 0.02 0.00 -0.15 0.00 0.00 54.97 55.42 2oqa s GLU 85 Cb 0.05 0.48 0.60 0.00 -0.44 0.00 0.00 34.13 34.82 2oqa s GLU 85 CO 0.02 -0.34 1.97 0.66 0.95 0.00 0.00 175.26 178.52 2oqa h SER 86 N 2.98 0.71 0.43 0.83 4.64 -2.00 -1.50 113.55 119.64 2oqa h SER 86 Ca -0.28 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 2oqa h SER 86 Cb 1.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2oqa h SER 86 CO 0.39 0.56 -0.46 0.44 -0.87 0.00 0.00 176.83 176.90 2oqa h ASP 87 N 0.81 0.04 0.29 4.97 3.32 -1.98 -1.43 116.42 122.45 2oqa h ASP 87 Ca 0.21 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.97 2oqa h ASP 87 Cb 0.01 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2oqa h ASP 87 CO -0.04 0.50 -1.13 0.00 -1.72 0.00 0.00 179.24 176.85 2oqa h ALA 88 N 1.51 0.15 -0.79 3.45 0.00 -1.62 -1.88 119.26 120.07 2oqa h ALA 88 Ca -0.00 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.16 2oqa h ALA 88 Cb 0.82 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2oqa h ALA 88 CO 0.06 0.79 0.52 -0.22 0.00 0.00 0.00 179.25 180.40 2oqa h LYS 89 N 0.23 1.02 -0.06 0.00 1.63 -1.12 -1.32 116.57 116.95 2oqa h LYS 89 Ca -0.14 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.62 2oqa h LYS 89 Cb 1.79 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 33.17 2oqa h LYS 89 CO 0.20 0.68 -0.06 1.25 -3.45 0.00 0.00 179.45 178.07 2oqa h LEU 90 N 1.05 -0.20 -1.04 5.20 5.85 -1.25 -2.56 115.31 122.36 2oqa h LEU 90 Ca 0.30 0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.22 2oqa h LEU 90 Cb -0.09 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 2oqa h LEU 90 CO -0.08 -0.09 0.62 0.00 -0.34 0.00 0.00 178.44 178.55 2oqa h ALA 91 N 0.97 1.64 0.00 1.25 0.00 -0.72 -0.63 119.26 121.76 2oqa h ALA 91 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2oqa h ALA 91 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2oqa h ALA 91 CO -0.11 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.84 2oqa h SER 92 N 0.84 0.00 1.38 0.00 4.64 -0.83 -0.44 113.55 119.14 2oqa h SER 92 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2oqa h SER 92 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2oqa h SER 92 CO -0.32 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.57 2oqa n GLN 93 N -2.59 0.25 0.00 4.77 6.02 -0.24 -4.40 117.38 121.18 2oqa n GLN 93 Ca -0.02 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2oqa n GLN 93 Cb 0.08 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.57 2oqa n GLN 93 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2oqa n TYR 94 N -2.20 0.00 -4.46 1.08 4.01 -0.25 -5.02 117.16 110.32 2oqa n TYR 94 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 2oqa n TYR 94 Cb 0.43 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.36 2oqa n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2oqa s VAL 95 N -1.57 2.41 -1.45 -0.72 -7.23 -0.76 -4.68 120.40 106.41 2oqa s VAL 95 Ca 0.00 -2.39 -0.10 0.00 -1.81 0.00 0.00 61.98 57.68 2oqa s VAL 95 Cb 0.00 -2.30 0.05 0.00 0.56 0.00 0.00 36.38 34.69 2oqa s VAL 95 CO 0.00 -0.40 0.98 0.49 -0.31 0.00 0.00 175.10 175.86 2oqa n PHE 96 N -0.61 -2.36 -1.68 2.82 3.72 -1.26 -4.75 117.46 113.33 2oqa n PHE 96 Ca -0.05 0.92 -0.44 0.00 -0.05 0.00 0.00 57.45 57.83 2oqa n PHE 96 Cb 0.60 -4.32 -0.03 0.00 -0.94 0.00 0.00 39.48 34.80 2oqa n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oqa n ALA 97 N -4.67 1.50 0.00 4.37 0.00 -1.26 -2.05 120.51 118.40 2oqa n ALA 97 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2oqa n ALA 97 Cb 0.56 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2oqa n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqa n GLY 98 N 2.56 2.71 3.79 0.00 0.00 -1.26 -5.05 105.19 107.94 2oqa n GLY 98 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2oqa n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oqa s SER 99 N -1.38 4.97 -0.21 1.61 1.04 -0.87 -5.02 113.70 113.84 2oqa s SER 99 Ca 0.00 1.77 -0.25 0.00 0.48 0.00 0.00 55.95 57.95 2oqa s SER 99 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 2oqa s SER 99 CO 0.00 -1.72 0.82 -0.89 0.98 0.00 0.00 173.24 172.42 2oqa s THR 100 N -2.87 4.86 -0.06 2.02 2.01 -0.44 -4.87 115.64 116.30 2oqa s THR 100 Ca 0.61 1.57 -0.22 0.00 0.31 0.00 0.00 61.69 63.96 2oqa s THR 100 Cb -0.16 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2oqa s THR 100 CO 0.53 -0.03 0.63 -0.63 -0.69 0.00 0.00 174.62 174.43 2oqa s ILE 101 N 2.55 5.05 -0.12 1.82 1.01 -1.26 -0.89 121.20 129.35 2oqa s ILE 101 Ca 0.36 1.30 0.01 0.00 0.00 0.00 0.00 60.65 62.31 2oqa s ILE 101 Cb -0.16 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 2oqa s ILE 101 CO 0.09 0.30 -0.15 -0.69 0.00 0.00 0.00 174.94 174.50 2oqa s VAL 102 N 0.56 2.91 -0.21 2.92 1.01 0.76 -4.95 120.40 123.41 2oqa s VAL 102 Ca 0.34 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 2oqa s VAL 102 Cb -0.17 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2oqa s VAL 102 CO 0.16 0.53 0.60 -0.89 0.00 0.00 0.00 175.10 175.50 2oqa s THR 103 N 0.29 5.04 0.64 3.92 2.01 -1.26 -1.48 115.64 124.80 2oqa s THR 103 Ca -0.11 1.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.85 2oqa s THR 103 Cb -0.16 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2oqa s THR 103 CO 0.06 0.12 1.11 -0.76 -0.69 0.00 0.00 174.62 174.46 2oqa s LEU 104 N 1.91 3.45 0.00 4.42 1.43 -0.07 -4.93 118.68 124.88 2oqa s LEU 104 Ca 0.27 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2oqa s LEU 104 Cb -0.16 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2oqa s LEU 104 CO 0.10 -1.56 0.64 -0.81 0.23 0.00 0.00 176.35 174.95 2oqa n PRO 105 N -2.22 0.97 -3.66 1.29 -0.04 -1.26 -3.95 135.00 126.14 2oqa n PRO 105 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2oqa n PRO 105 Cb 0.52 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 2oqa n PRO 105 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2oqa s TYR 106 N -1.32 -0.23 0.97 0.54 -0.85 -1.26 -5.01 117.35 110.19 2oqa s TYR 106 Ca 0.00 0.07 -0.16 0.00 -0.52 0.00 0.00 57.07 56.46 2oqa s TYR 106 Cb 0.00 0.23 0.19 0.00 0.38 0.00 0.00 41.96 42.76 2oqa s TYR 106 CO 0.00 -0.62 1.27 -1.54 -1.52 0.00 0.00 175.55 173.14 2oqa s SER 107 N -2.34 3.04 0.00 -0.18 1.04 -1.25 -0.98 113.70 113.03 2oqa s SER 107 Ca -0.02 0.40 0.14 0.00 0.48 0.00 0.00 55.95 56.96 2oqa s SER 107 Cb 0.00 -0.55 0.55 0.00 0.10 0.00 0.00 66.02 66.12 2oqa s SER 107 CO -0.06 -2.79 1.40 0.61 0.98 0.00 0.00 173.24 173.37 2oqa n GLY 108 N -3.31 0.09 3.76 7.32 0.00 -1.26 -4.38 105.19 107.40 2oqa n GLY 108 Ca 0.14 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2oqa n GLY 108 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oqa s ASN 109 N -1.29 6.78 0.20 1.61 2.47 -1.26 -4.88 114.94 118.57 2oqa s ASN 109 Ca 0.25 2.62 -0.10 0.00 0.42 0.00 0.00 52.86 56.05 2oqa s ASN 109 Cb 0.13 -2.64 0.26 0.00 -1.45 0.00 0.00 41.25 37.55 2oqa s ASN 109 CO 0.19 -0.56 1.75 1.88 -3.72 0.00 0.00 177.10 176.63 2oqa h TYR 110 N 4.12 0.40 -0.53 0.43 0.05 -1.99 -0.10 116.97 119.35 2oqa h TYR 110 Ca -0.47 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 2oqa h TYR 110 Cb 1.22 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.85 2oqa h TYR 110 CO 0.58 0.12 0.31 0.93 -1.05 0.00 0.00 178.16 179.04 2oqa h GLU 111 N 0.42 0.73 -0.43 4.88 4.39 -1.98 0.04 114.58 122.63 2oqa h GLU 111 Ca 0.29 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.81 2oqa h GLU 111 Cb 0.34 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2oqa h GLU 111 CO -0.28 0.54 -0.15 0.87 -1.16 0.00 0.00 179.01 178.83 2oqa h LYS 112 N 0.71 0.86 -0.76 2.33 1.79 -1.80 -1.64 116.57 118.06 2oqa h LYS 112 Ca 0.19 -0.35 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 2oqa h LYS 112 Cb 0.01 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 2oqa h LYS 112 CO -0.03 0.99 0.34 -0.07 -1.08 0.00 0.00 179.45 179.60 2oqa h LEU 113 N 0.68 1.01 -0.44 2.94 3.38 -0.82 -1.37 115.31 120.69 2oqa h LEU 113 Ca 0.10 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2oqa h LEU 113 Cb 0.70 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2oqa h LEU 113 CO 0.05 0.87 -0.26 1.56 0.09 0.00 0.00 178.44 180.75 2oqa h GLN 114 N 1.10 0.96 -0.61 1.13 4.20 -0.81 0.75 115.11 121.83 2oqa h GLN 114 Ca 0.26 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2oqa h GLN 114 Cb 0.15 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2oqa h GLN 114 CO -0.03 1.11 0.37 1.15 -0.67 0.00 0.00 178.83 180.76 2oqa h THR 115 N 0.80 1.17 -0.56 -0.54 2.02 -1.19 0.11 112.91 114.73 2oqa h THR 115 Ca 0.09 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2oqa h THR 115 Cb 0.85 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2oqa h THR 115 CO 0.07 0.18 -0.00 0.00 0.37 0.00 0.00 175.52 176.14 2oqa h ALA 116 N 1.19 0.94 0.00 6.16 0.00 -0.95 -2.89 119.26 123.72 2oqa h ALA 116 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2oqa h ALA 116 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2oqa h ALA 116 CO -0.04 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2oqa h ALA 117 N 1.11 1.00 -0.29 0.00 0.00 -0.67 -3.47 119.26 116.93 2oqa h ALA 117 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2oqa h ALA 117 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2oqa h ALA 117 CO 0.03 0.00 -0.11 0.41 0.00 0.00 0.00 179.25 179.57 2oqa n GLY 118 N 1.07 0.85 3.47 0.00 0.00 -0.02 -4.90 105.19 105.66 2oqa n GLY 118 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 2oqa n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oqa s LYS 119 N -2.38 0.85 0.31 1.61 -2.85 -0.90 -5.03 119.74 111.35 2oqa s LYS 119 Ca 0.00 0.43 -0.13 0.00 -1.00 0.00 0.00 55.97 55.27 2oqa s LYS 119 Cb 0.00 0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 2oqa s LYS 119 CO 0.00 -0.20 0.69 0.96 0.10 0.00 0.00 175.35 176.90 2oqa s ILE 120 N -0.58 4.75 0.31 3.79 -4.36 -1.26 -4.49 121.20 119.35 2oqa s ILE 120 Ca -0.07 0.80 0.04 0.00 -0.26 0.00 0.00 60.65 61.16 2oqa s ILE 120 Cb -0.03 -3.62 0.35 0.00 1.25 0.00 0.00 42.46 40.42 2oqa s ILE 120 CO 0.05 -0.19 1.61 0.03 0.24 0.00 0.00 174.94 176.68 2oqa h ARG 121 N 2.22 0.10 -0.58 0.37 3.08 -1.94 0.26 114.38 117.89 2oqa h ARG 121 Ca -0.48 -0.01 0.17 0.00 0.07 0.00 0.00 59.98 59.74 2oqa h ARG 121 Cb 1.17 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 2oqa h ARG 121 CO 0.66 0.07 0.52 0.93 -1.07 0.00 0.00 179.97 181.08 2oqa h GLU 122 N 0.10 0.00 -0.12 0.04 3.07 -1.93 -1.42 114.58 114.32 2oqa h GLU 122 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 2oqa h GLU 122 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 2oqa h GLU 122 CO -0.77 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 178.47 2oqa n LYS 123 N -3.90 1.51 -3.51 2.33 5.02 0.07 -4.46 118.16 115.22 2oqa n LYS 123 Ca 0.11 -1.60 -0.41 0.00 -2.02 0.00 0.00 58.31 54.39 2oqa n LYS 123 Cb 0.75 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 2oqa n LYS 123 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2oqa s ILE 124 N -1.23 5.28 0.39 -0.18 1.01 -0.54 -4.96 121.20 120.98 2oqa s ILE 124 Ca 0.21 -0.28 -0.27 0.00 0.00 0.00 0.00 60.65 60.31 2oqa s ILE 124 Cb 0.14 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 2oqa s ILE 124 CO 0.20 -0.06 1.42 -2.65 0.00 0.00 0.00 174.94 173.85 2oqa n PRO 125 N 5.13 2.42 -4.43 2.79 -0.02 -1.26 -4.29 135.00 135.33 2oqa n PRO 125 Ca -0.12 0.85 -0.24 0.00 -2.02 0.00 0.00 63.50 61.97 2oqa n PRO 125 Cb 0.49 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.30 2oqa n PRO 125 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2oqa s LEU 126 N -2.01 2.81 0.00 2.45 1.43 -0.13 -4.83 118.68 118.40 2oqa s LEU 126 Ca 0.56 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2oqa s LEU 126 Cb -0.49 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2oqa s LEU 126 CO 0.62 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.71 2oqa n GLY 127 N -0.78 -0.01 0.14 -3.19 0.00 -1.26 -1.23 105.19 98.85 2oqa n GLY 127 Ca -0.05 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 2oqa n GLY 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2oqa h PHE 128 N 0.00 0.40 -0.96 1.61 -1.00 -1.49 -0.78 116.94 114.72 2oqa h PHE 128 Ca 0.00 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.74 2oqa h PHE 128 Cb 0.00 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.40 2oqa h PHE 128 CO 0.00 0.49 0.64 -1.35 -1.61 0.00 0.00 178.31 176.48 2oqa h PRO 129 N 0.20 1.25 -0.95 1.51 0.11 -1.79 -0.86 132.00 131.46 2oqa h PRO 129 Ca 0.07 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2oqa h PRO 129 Cb 0.30 -0.28 -0.05 0.00 0.11 0.00 0.00 31.00 31.08 2oqa h PRO 129 CO 0.00 0.82 0.60 0.00 -0.21 0.00 0.00 178.00 179.21 2oqa h ALA 130 N 1.36 1.21 -0.37 -0.75 0.00 -1.82 -1.54 119.26 117.36 2oqa h ALA 130 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2oqa h ALA 130 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.27 2oqa h ALA 130 CO -0.09 0.65 0.18 1.25 0.00 0.00 0.00 179.25 181.23 2oqa h LEU 131 N 1.31 0.48 -0.36 0.00 5.85 -0.67 -0.50 115.31 121.43 2oqa h LEU 131 Ca 0.35 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2oqa h LEU 131 Cb -0.09 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 2oqa h LEU 131 CO -0.07 0.47 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.59 2oqa h ASP 132 N 0.46 -0.47 -0.72 1.25 3.58 -0.76 -0.26 116.42 119.49 2oqa h ASP 132 Ca 0.13 0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 2oqa h ASP 132 Cb 0.12 0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 2oqa h ASP 132 CO -0.02 -0.17 0.29 0.28 -2.88 0.00 0.00 179.24 176.75 2oqa h SER 133 N -0.06 0.99 -0.42 2.28 0.02 -1.07 -1.47 113.55 113.81 2oqa h SER 133 Ca 0.18 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2oqa h SER 133 Cb 0.33 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2oqa h SER 133 CO -0.40 0.89 0.22 0.00 -1.14 0.00 0.00 176.83 176.40 2oqa h ALA 134 N 1.14 0.55 -0.67 3.77 0.00 -0.69 -0.75 119.26 122.60 2oqa h ALA 134 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2oqa h ALA 134 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2oqa h ALA 134 CO -0.02 0.09 0.33 0.82 0.00 0.00 0.00 179.25 180.47 2oqa h ILE 135 N 0.55 1.22 -0.64 0.00 2.04 -0.83 -2.04 117.51 117.81 2oqa h ILE 135 Ca 0.15 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2oqa h ILE 135 Cb 0.08 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2oqa h ILE 135 CO -0.02 0.26 0.40 0.74 0.00 0.00 0.00 178.15 179.53 2oqa h THR 136 N 0.93 1.18 -0.37 -0.27 2.02 -0.94 0.24 112.91 115.69 2oqa h THR 136 Ca 0.23 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.07 2oqa h THR 136 Cb 0.10 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2oqa h THR 136 CO -0.03 0.18 0.18 0.74 0.37 0.00 0.00 175.52 176.96 2oqa h THR 137 N 0.87 0.97 -0.10 3.16 2.02 -0.84 -2.00 112.91 116.99 2oqa h THR 137 Ca 0.23 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 67.14 2oqa h THR 137 Cb -0.06 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2oqa h THR 137 CO -0.05 0.07 -0.57 -0.07 0.37 0.00 0.00 175.52 175.27 2oqa h LEU 138 N 0.36 0.37 -0.83 2.58 3.38 -1.00 -1.29 115.31 118.88 2oqa h LEU 138 Ca 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2oqa h LEU 138 Cb 0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2oqa h LEU 138 CO -0.12 0.86 0.51 0.15 0.09 0.00 0.00 178.44 179.93 2oqa h PHE 139 N 0.25 1.09 -0.02 1.13 3.57 -0.20 -2.13 116.94 120.64 2oqa h PHE 139 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2oqa h PHE 139 Cb 1.08 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2oqa h PHE 139 CO 0.03 0.73 -0.08 0.72 -2.23 0.00 0.00 178.31 177.48 2oqa n HIS 140 N -4.45 0.00 -3.21 0.41 8.25 -0.78 -4.96 115.22 110.48 2oqa n HIS 140 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.29 2oqa n HIS 140 Cb 0.05 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.15 2oqa n HIS 140 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2oqa n TYR 141 N 0.18 -1.81 -2.80 4.41 9.36 -0.55 -4.92 117.16 121.03 2oqa n TYR 141 Ca 0.16 0.75 -0.43 0.00 3.32 0.00 0.00 57.90 61.71 2oqa n TYR 141 Cb 0.40 -1.71 -0.04 0.00 -0.63 0.00 0.00 39.34 37.36 2oqa n TYR 141 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2oqa s ASP 142 N -1.92 6.35 0.56 2.98 -1.08 -0.81 -4.91 116.67 117.83 2oqa s ASP 142 Ca 0.15 -0.31 0.23 0.00 -0.52 0.00 0.00 52.55 52.10 2oqa s ASP 142 Cb -0.02 -2.45 1.55 0.00 -1.46 0.00 0.00 42.92 40.54 2oqa s ASP 142 CO 0.68 -1.27 2.20 0.77 0.52 0.00 0.00 175.17 178.07 2oqa h SER 143 N 9.36 0.00 1.38 -0.34 4.64 -1.91 -1.74 113.55 124.95 2oqa h SER 143 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2oqa h SER 143 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2oqa h SER 143 CO 1.11 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.78 2oqa h THR 144 N 0.00 0.00 0.00 2.95 1.35 -1.99 -3.29 112.91 111.93 2oqa h THR 144 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2oqa h THR 144 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2oqa h THR 144 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2oqa n ALA 145 N -1.84 2.30 -0.22 6.62 0.00 -0.73 -4.81 120.51 121.84 2oqa n ALA 145 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.05 2oqa n ALA 145 Cb 0.40 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.88 2oqa n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oqa h ALA 146 N 0.00 0.81 -0.49 0.00 0.00 -1.43 -2.11 119.26 116.04 2oqa h ALA 146 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 2oqa h ALA 146 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2oqa h ALA 146 CO 0.00 0.55 0.25 0.00 0.00 0.00 0.00 179.25 180.05 2oqa h ALA 147 N 1.03 0.62 -0.72 0.00 0.00 -1.87 0.74 119.26 119.05 2oqa h ALA 147 Ca 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2oqa h ALA 147 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2oqa h ALA 147 CO 0.01 -0.09 0.29 0.00 0.00 0.00 0.00 179.25 179.46 2oqa h ALA 148 N 1.26 1.14 -0.70 0.00 0.00 -1.81 -1.62 119.26 117.54 2oqa h ALA 148 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2oqa h ALA 148 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2oqa h ALA 148 CO -0.14 0.62 0.34 0.00 0.00 0.00 0.00 179.25 180.06 2oqa h ALA 149 N 1.26 0.90 -0.66 0.00 0.00 -0.52 -2.02 119.26 118.21 2oqa h ALA 149 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2oqa h ALA 149 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2oqa h ALA 149 CO -0.02 0.46 0.34 0.74 0.00 0.00 0.00 179.25 180.76 2oqa h PHE 150 N 0.97 0.94 -0.90 0.00 0.04 -0.53 -1.08 116.94 116.38 2oqa h PHE 150 Ca 0.24 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 61.03 2oqa h PHE 150 Cb 0.11 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 37.91 2oqa h PHE 150 CO 0.00 0.69 0.57 -0.07 -0.60 0.00 0.00 178.31 178.90 2oqa h LEU 151 N 0.91 0.91 -0.02 1.54 3.38 -0.85 0.14 115.31 121.33 2oqa h LEU 151 Ca 0.23 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2oqa h LEU 151 Cb 0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2oqa h LEU 151 CO -0.03 0.59 0.00 0.58 0.09 0.00 0.00 178.44 179.67 2oqa h VAL 152 N 1.05 1.21 -0.55 1.22 2.07 -1.08 -3.07 116.25 117.10 2oqa h VAL 152 Ca 0.38 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2oqa h VAL 152 Cb 0.13 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2oqa h VAL 152 CO -0.16 0.17 0.16 0.40 0.02 0.00 0.00 177.57 178.16 2oqa h ILE 153 N -0.23 1.24 -0.58 4.57 2.04 -0.78 -1.75 117.51 122.02 2oqa h ILE 153 Ca 0.01 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.07 2oqa h ILE 153 Cb 0.27 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2oqa h ILE 153 CO 0.00 0.31 0.35 0.40 0.00 0.00 0.00 178.15 179.20 2oqa h ILE 154 N 0.77 1.05 -0.11 -0.67 2.04 -0.81 -1.36 117.51 118.41 2oqa h ILE 154 Ca 0.18 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.63 2oqa h ILE 154 Cb 0.30 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2oqa h ILE 154 CO -0.00 0.12 -0.67 1.56 0.00 0.00 0.00 178.15 179.17 2oqa h GLN 155 N 0.68 0.45 0.00 2.37 4.20 -1.41 -1.11 115.11 120.28 2oqa h GLN 155 Ca 0.24 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2oqa h GLN 155 Cb 0.05 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2oqa h GLN 155 CO -0.11 0.96 0.00 2.41 -0.67 0.00 0.00 178.83 181.42 2oqa n THR 156 N -3.88 0.52 0.00 -0.54 -1.04 -0.67 -2.36 114.28 106.31 2oqa n THR 156 Ca -0.04 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2oqa n THR 156 Cb 0.67 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 2oqa n THR 156 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2oqa n THR 157 N -2.16 0.00 0.00 12.58 -2.24 -0.54 -4.61 114.28 117.31 2oqa n THR 157 Ca 0.06 0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 2oqa n THR 157 Cb 0.41 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 2oqa n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oqa h ALA 158 N -0.04 0.10 -0.40 6.98 0.00 -1.41 -0.54 119.26 123.95 2oqa h ALA 158 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2oqa h ALA 158 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2oqa h ALA 158 CO 0.00 -0.39 -0.23 0.93 0.00 0.00 0.00 179.25 179.57 2oqa h GLU 159 N 0.06 0.79 -0.84 0.00 4.39 -1.40 -2.04 114.58 115.55 2oqa h GLU 159 Ca 0.03 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 2oqa h GLU 159 Cb 0.03 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2oqa h GLU 159 CO -0.01 0.94 0.42 1.03 -1.16 0.00 0.00 179.01 180.23 2oqa h SER 160 N 0.69 1.08 -0.06 1.42 0.87 -1.32 -1.75 113.55 114.46 2oqa h SER 160 Ca 0.09 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 2oqa h SER 160 Cb 0.74 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2oqa h SER 160 CO 0.06 0.89 -0.07 0.77 -0.53 0.00 0.00 176.83 177.95 2oqa h SER 161 N 1.18 0.30 0.97 6.23 4.64 -0.70 -3.09 113.55 123.07 2oqa h SER 161 Ca 0.29 -0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 2oqa h SER 161 Cb 0.09 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2oqa h SER 161 CO -0.04 0.41 -0.82 0.03 -0.87 0.00 0.00 176.83 175.54 2oqa h ARG 162 N 0.30 0.00 -3.50 4.77 3.08 -0.69 -3.42 114.38 114.93 2oqa h ARG 162 Ca 0.07 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.68 2oqa h ARG 162 Cb 0.33 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.99 2oqa h ARG 162 CO 0.02 0.82 -0.76 -0.06 -1.07 0.00 0.00 179.97 178.92 2oqa s PHE 163 N -2.99 0.50 0.44 3.04 0.08 -0.72 -0.06 117.98 118.26 2oqa s PHE 163 Ca 0.01 -0.16 0.14 0.00 0.12 0.00 0.00 56.93 57.03 2oqa s PHE 163 Cb 0.10 -0.73 1.03 0.00 -0.57 0.00 0.00 43.02 42.85 2oqa s PHE 163 CO 0.79 -0.35 1.99 -0.22 -0.10 0.00 0.00 175.22 177.33 2oqa h LYS 164 N 8.36 0.39 -0.66 0.44 3.64 -1.09 -1.26 116.57 126.39 2oqa h LYS 164 Ca -0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2oqa h LYS 164 Cb 1.13 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2oqa h LYS 164 CO 0.24 0.26 0.43 -0.92 -2.27 0.00 0.00 179.45 177.19 2oqa h TYR 165 N 0.40 0.83 -0.36 1.91 3.20 -1.87 -1.66 116.97 119.43 2oqa h TYR 165 Ca 0.26 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 62.00 2oqa h TYR 165 Cb 0.49 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2oqa h TYR 165 CO -0.00 0.53 -0.34 0.82 -1.64 0.00 0.00 178.16 177.53 2oqa h ILE 166 N 0.89 1.28 -0.66 1.81 2.04 -1.56 -1.40 117.51 119.91 2oqa h ILE 166 Ca 0.24 -1.50 0.12 0.00 1.00 0.00 0.00 64.86 64.72 2oqa h ILE 166 Cb -0.09 1.37 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 2oqa h ILE 166 CO -0.05 0.50 0.20 -0.08 0.00 0.00 0.00 178.15 178.72 2oqa h GLU 167 N 0.68 0.33 -0.71 2.37 4.81 -1.21 -1.57 114.58 119.29 2oqa h GLU 167 Ca 0.07 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2oqa h GLU 167 Cb 0.90 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2oqa h GLU 167 CO 0.08 0.22 0.22 0.78 -0.73 0.00 0.00 179.01 179.58 2oqa h GLY 168 N 0.34 1.16 1.02 1.92 0.00 -0.83 -2.13 103.07 104.55 2oqa h GLY 168 Ca 0.35 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2oqa h GLY 168 CO -0.39 0.63 0.42 1.46 0.00 0.00 0.00 176.54 178.65 2oqa h GLN 169 N 1.04 1.14 -0.40 4.80 1.08 -0.57 -0.79 115.11 121.42 2oqa h GLN 169 Ca 0.23 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2oqa h GLN 169 Cb 0.29 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2oqa h GLN 169 CO -0.01 0.86 0.11 0.82 -0.95 0.00 0.00 178.83 179.66 2oqa h ILE 170 N 1.13 1.22 -0.96 2.54 1.08 -1.09 -2.89 117.51 118.54 2oqa h ILE 170 Ca 0.28 -0.76 0.06 0.00 -0.39 0.00 0.00 64.86 64.06 2oqa h ILE 170 Cb 0.07 0.97 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 2oqa h ILE 170 CO -0.04 0.26 0.62 0.40 -0.69 0.00 0.00 178.15 178.70 2oqa h ILE 171 N 0.50 1.07 -0.09 -0.67 2.04 -1.06 -0.28 117.51 119.02 2oqa h ILE 171 Ca 0.13 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.63 2oqa h ILE 171 Cb 0.29 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2oqa h ILE 171 CO -0.00 0.20 0.08 0.24 0.00 0.00 0.00 178.15 178.67 2oqa h MET 172 N 1.12 0.00 -0.79 2.37 2.86 -0.95 -2.66 114.93 116.88 2oqa h MET 172 Ca 0.42 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.66 2oqa h MET 172 Cb 0.17 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.59 2oqa h MET 172 CO -0.17 0.00 0.42 0.54 1.06 0.00 0.00 176.91 178.75 2oqa n ARG 173 N -4.23 2.25 -0.14 1.72 1.74 -0.13 -4.62 116.66 113.26 2oqa n ARG 173 Ca -0.01 -3.07 -0.05 0.00 -0.77 0.00 0.00 57.85 53.96 2oqa n ARG 173 Cb 0.18 -2.08 0.14 0.00 -1.02 0.00 0.00 32.46 29.68 2oqa n ARG 173 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2oqa h ILE 174 N 1.14 1.25 0.00 0.55 2.04 -1.35 -1.81 117.51 119.33 2oqa h ILE 174 Ca 0.49 -0.99 -0.32 0.00 1.00 0.00 0.00 64.86 65.04 2oqa h ILE 174 Cb 2.48 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 39.29 2oqa h ILE 174 CO 0.87 0.36 -2.20 -1.20 0.00 0.00 0.00 178.15 175.98 2oqa n SER 175 N -4.22 1.12 -3.89 1.72 7.64 -1.26 -4.22 113.62 110.50 2oqa n SER 175 Ca 0.03 -0.03 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2oqa n SER 175 Cb 0.29 0.62 -0.17 0.00 -1.01 0.00 0.00 64.21 63.94 2oqa n SER 175 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2oqa s LYS 176 N -2.42 1.21 0.66 1.43 2.20 -1.25 -4.88 119.74 116.69 2oqa s LYS 176 Ca -0.14 -0.17 -0.17 0.00 -0.36 0.00 0.00 55.97 55.14 2oqa s LYS 176 Cb 0.06 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 2oqa s LYS 176 CO 0.66 -0.19 1.21 -0.80 -0.36 0.00 0.00 175.35 175.87 2oqa s ASN 177 N 1.43 4.70 -0.11 1.43 0.01 -1.26 -4.45 114.94 116.69 2oqa s ASN 177 Ca -0.02 2.36 -0.19 0.00 -0.71 0.00 0.00 52.86 54.30 2oqa s ASN 177 Cb -0.13 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 38.98 2oqa s ASN 177 CO -0.04 -1.93 0.47 -0.83 -1.51 0.00 0.00 177.10 173.27 2oqa s GLY 178 N -1.86 -0.34 0.66 0.66 0.00 -0.37 -4.89 107.32 101.18 2oqa s GLY 178 Ca 0.76 1.05 -0.17 0.00 0.00 0.00 0.00 44.72 46.35 2oqa s GLY 178 CO 0.40 0.82 1.16 3.33 0.00 0.00 0.00 173.10 178.81 2oqa n VAL 179 N 1.97 4.22 -1.87 1.40 0.24 -1.26 -0.96 118.33 122.08 2oqa n VAL 179 Ca -0.17 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.29 2oqa n VAL 179 Cb 0.56 -1.33 0.04 0.00 -1.47 0.00 0.00 33.84 31.64 2oqa n VAL 179 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2oqa s PRO 180 N -3.26 3.05 0.79 7.34 0.04 -1.26 -4.84 135.00 136.87 2oqa s PRO 180 Ca 0.80 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.79 2oqa s PRO 180 Cb -0.38 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.11 2oqa s PRO 180 CO 0.44 -1.21 1.12 -1.54 0.04 0.00 0.00 177.00 175.85 2oqa s SER 181 N -1.21 4.14 0.43 6.66 1.04 -1.26 -4.90 113.70 118.60 2oqa s SER 181 Ca 0.74 2.00 0.09 0.00 0.48 0.00 0.00 55.95 59.26 2oqa s SER 181 Cb -0.37 -2.54 0.92 0.00 0.10 0.00 0.00 66.02 64.13 2oqa s SER 181 CO 0.42 -2.28 2.05 -0.07 0.98 0.00 0.00 173.24 174.34 2oqa h LEU 182 N -1.07 0.34 -0.49 2.42 3.38 -1.93 -2.22 115.31 115.74 2oqa h LEU 182 Ca -0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2oqa h LEU 182 Cb 1.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2oqa h LEU 182 CO 0.49 0.29 0.30 0.00 0.09 0.00 0.00 178.44 179.61 2oqa h ALA 183 N 1.77 0.62 -0.16 1.53 0.00 -1.73 -1.59 119.26 119.70 2oqa h ALA 183 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2oqa h ALA 183 Cb 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2oqa h ALA 183 CO -0.02 0.10 -0.06 1.15 0.00 0.00 0.00 179.25 180.43 2oqa h THR 184 N 0.66 0.80 -0.34 0.00 2.02 -1.73 -0.91 112.91 113.40 2oqa h THR 184 Ca 0.18 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.39 2oqa h THR 184 Cb -0.02 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2oqa h THR 184 CO -0.03 0.00 0.13 0.40 0.37 0.00 0.00 175.52 176.38 2oqa h ILE 185 N -0.03 0.92 -0.67 3.11 1.08 -1.33 -1.95 117.51 118.64 2oqa h ILE 185 Ca 0.08 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2oqa h ILE 185 Cb 0.16 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 2oqa h ILE 185 CO -0.18 0.05 0.33 0.77 -0.69 0.00 0.00 178.15 178.43 2oqa h SER 186 N 0.28 0.86 -0.37 1.72 4.64 -0.89 -1.10 113.55 118.69 2oqa h SER 186 Ca 0.15 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2oqa h SER 186 Cb 0.11 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2oqa h SER 186 CO -0.14 0.74 0.18 -0.07 -0.87 0.00 0.00 176.83 176.67 2oqa h LEU 187 N 0.92 0.48 -0.27 5.97 3.38 -0.98 0.05 115.31 124.86 2oqa h LEU 187 Ca 0.23 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2oqa h LEU 187 Cb 0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2oqa h LEU 187 CO -0.03 0.47 -0.07 -0.33 0.09 0.00 0.00 178.44 178.56 2oqa h GLU 188 N 0.46 -0.00 -0.06 1.13 5.08 -1.14 -1.08 114.58 118.96 2oqa h GLU 188 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2oqa h GLU 188 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2oqa h GLU 188 CO -0.02 -0.00 -0.11 -0.91 -1.00 0.00 0.00 179.01 176.97 2oqa h ASN 189 N -0.00 0.09 -0.32 1.42 2.35 -0.80 -3.14 115.58 115.18 2oqa h ASN 189 Ca 0.13 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2oqa h ASN 189 Cb 0.20 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2oqa h ASN 189 CO -0.28 0.22 0.00 -0.62 -1.65 0.00 0.00 177.43 175.10 2oqa n GLU 190 N -4.35 2.21 -0.13 0.81 -0.58 -0.03 -4.64 120.64 113.93 2oqa n GLU 190 Ca -0.02 -1.99 -0.04 0.00 -0.42 0.00 0.00 57.16 54.70 2oqa n GLU 190 Cb 0.22 -1.37 0.04 0.00 -0.57 0.00 0.00 31.44 29.76 2oqa n GLU 190 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2oqa h TRP 191 N 3.09 0.00 -0.38 -0.32 7.01 -1.16 0.17 115.95 124.37 2oqa h TRP 191 Ca 0.00 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.93 2oqa h TRP 191 Cb 0.78 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 2oqa h TRP 191 CO 0.21 -0.07 -0.16 0.66 -2.79 0.00 0.00 178.44 176.29 2oqa h SER 192 N 0.13 0.71 -0.25 2.65 4.64 -1.84 -0.77 113.55 118.82 2oqa h SER 192 Ca 0.21 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 2oqa h SER 192 Cb 0.30 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2oqa h SER 192 CO -0.34 0.88 -0.29 0.00 -0.87 0.00 0.00 176.83 176.21 2oqa h ALA 193 N 1.19 0.37 -0.51 5.18 0.00 -1.73 -1.80 119.26 121.97 2oqa h ALA 193 Ca 0.10 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2oqa h ALA 193 Cb 0.63 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2oqa h ALA 193 CO 0.04 0.38 0.28 -0.07 0.00 0.00 0.00 179.25 179.89 2oqa h LEU 194 N 0.35 0.43 -0.56 0.00 3.38 -0.59 -0.95 115.31 117.38 2oqa h LEU 194 Ca 0.03 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2oqa h LEU 194 Cb 0.86 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2oqa h LEU 194 CO 0.07 0.30 0.29 0.28 0.09 0.00 0.00 178.44 179.47 2oqa h SER 195 N 0.55 0.42 -0.04 -0.43 0.02 -0.99 -0.66 113.55 112.42 2oqa h SER 195 Ca 0.21 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2oqa h SER 195 Cb 0.07 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2oqa h SER 195 CO -0.12 0.29 0.01 0.50 -1.14 0.00 0.00 176.83 176.36 2oqa h LYS 196 N 0.56 0.06 -0.48 3.45 3.64 -1.08 -3.06 116.57 119.66 2oqa h LYS 196 Ca 0.25 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 2oqa h LYS 196 Cb 0.15 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2oqa h LYS 196 CO -0.16 0.29 -0.16 1.96 -2.27 0.00 0.00 179.45 179.11 2oqa h GLN 197 N -0.18 0.92 -0.90 1.90 1.08 -0.93 -2.18 115.11 114.82 2oqa h GLN 197 Ca 0.01 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2oqa h GLN 197 Cb 0.26 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 2oqa h GLN 197 CO 0.00 1.01 0.53 0.82 -0.95 0.00 0.00 178.83 180.24 2oqa h ILE 198 N 0.81 1.25 -0.26 2.54 2.04 -1.18 -0.64 117.51 122.07 2oqa h ILE 198 Ca 0.12 -0.57 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 2oqa h ILE 198 Cb 0.70 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2oqa h ILE 198 CO 0.05 0.27 -0.42 1.56 0.00 0.00 0.00 178.15 179.61 2oqa h GLN 199 N 1.25 0.65 -0.23 2.37 4.20 -1.39 -2.95 115.11 119.00 2oqa h GLN 199 Ca 0.32 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 2oqa h GLN 199 Cb -0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2oqa h GLN 199 CO -0.06 0.95 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.76 2oqa h LEU 200 N 0.53 0.41 -1.97 1.46 3.38 -1.03 -3.15 115.31 114.94 2oqa h LEU 200 Ca 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2oqa h LEU 200 Cb 0.95 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2oqa h LEU 200 CO 0.09 0.64 -0.11 0.00 0.09 0.00 0.00 178.44 179.15 2oqa h ALA 201 N 1.40 1.48 -0.95 1.53 0.00 -0.94 -3.10 119.26 118.67 2oqa h ALA 201 Ca 0.06 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.09 2oqa h ALA 201 Cb 0.60 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 2oqa h ALA 201 CO 0.04 0.13 0.52 1.96 0.00 0.00 0.00 179.25 181.90 2oqa h GLN 202 N 0.00 0.54 -0.32 0.00 4.20 -1.56 0.60 115.11 118.56 2oqa h GLN 202 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2oqa h GLN 202 Cb 0.24 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2oqa h GLN 202 CO 0.01 0.35 0.00 0.25 -0.67 0.00 0.00 178.83 178.78 2oqa n THR 203 N -4.92 2.39 -2.27 -0.54 -2.24 -1.17 -4.44 114.28 101.09 2oqa n THR 203 Ca 0.24 -1.79 -0.04 0.00 -2.27 0.00 0.00 64.05 60.18 2oqa n THR 203 Cb 0.66 -0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.70 2oqa n THR 203 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2oqa n ASN 204 N -0.29 2.40 -2.14 3.42 5.15 -0.10 -4.96 115.26 118.73 2oqa n ASN 204 Ca 0.23 -2.90 -0.14 0.00 -0.60 0.00 0.00 54.58 51.16 2oqa n ASN 204 Cb 0.96 -0.41 -0.02 0.00 -0.53 0.00 0.00 39.78 39.77 2oqa n ASN 204 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2oqa n ASN 205 N -0.50 -4.23 0.00 1.20 5.15 -1.20 -1.53 115.26 114.16 2oqa n ASN 205 Ca 0.20 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2oqa n ASN 205 Cb 0.90 -3.66 0.00 0.00 -0.53 0.00 0.00 39.78 36.50 2oqa n ASN 205 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oqa n GLY 206 N -0.69 0.70 3.74 8.20 0.00 0.01 -4.99 105.19 112.16 2oqa n GLY 206 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2oqa n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oqa s THR 207 N -2.11 5.23 0.45 2.61 2.01 -0.58 -0.93 115.64 122.32 2oqa s THR 207 Ca 0.00 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 2oqa s THR 207 Cb 0.00 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 2oqa s THR 207 CO 0.00 0.50 1.37 -0.36 -0.69 0.00 0.00 174.62 175.44 2oqa s PHE 208 N -0.04 2.57 0.23 4.92 0.40 0.59 -4.19 117.98 122.45 2oqa s PHE 208 Ca 0.09 1.33 0.11 0.00 -0.60 0.00 0.00 56.93 57.86 2oqa s PHE 208 Cb -0.12 -3.80 0.28 0.00 0.51 0.00 0.00 43.02 39.89 2oqa s PHE 208 CO 0.00 -2.60 1.56 0.87 0.70 0.00 0.00 175.22 175.75 2oqa h LYS 209 N 2.31 0.00 -3.57 0.44 1.57 -1.88 -3.43 116.57 112.01 2oqa h LYS 209 Ca -0.50 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.93 2oqa h LYS 209 Cb 1.26 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.22 2oqa h LYS 209 CO 0.61 0.66 -0.74 0.99 -0.57 0.00 0.00 179.45 180.40 2oqa s THR 210 N -3.44 0.08 0.72 -0.16 2.01 -1.26 -5.15 115.64 108.44 2oqa s THR 210 Ca -0.01 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 2oqa s THR 210 Cb 0.12 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.43 2oqa s THR 210 CO 0.77 0.15 1.23 -2.16 -0.69 0.00 0.00 174.62 173.92 2oqa s PRO 211 N 1.42 2.19 -0.14 4.92 0.04 -1.26 -4.96 135.00 137.21 2oqa s PRO 211 Ca -0.04 1.84 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2oqa s PRO 211 Cb -0.13 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2oqa s PRO 211 CO -0.03 -1.82 -0.19 0.08 0.04 0.00 0.00 177.00 175.08 2oqa s VAL 212 N -1.85 2.37 -0.27 -0.36 1.01 -0.03 -4.95 120.40 116.33 2oqa s VAL 212 Ca 0.76 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 2oqa s VAL 212 Cb -0.31 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2oqa s VAL 212 CO 0.44 0.54 0.41 -0.69 0.00 0.00 0.00 175.10 175.80 2oqa s VAL 213 N 0.67 5.15 0.50 2.92 1.01 -1.26 0.40 120.40 129.78 2oqa s VAL 213 Ca -0.09 0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.61 2oqa s VAL 213 Cb -0.16 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2oqa s VAL 213 CO 0.02 0.14 0.40 -0.63 0.00 0.00 0.00 175.10 175.03 2oqa s ILE 214 N 2.13 2.03 0.02 2.22 1.09 -0.11 -4.93 121.20 123.64 2oqa s ILE 214 Ca 0.17 -1.43 0.07 0.00 -1.10 0.00 0.00 60.65 58.35 2oqa s ILE 214 Cb -0.16 -2.46 -0.03 0.00 -1.06 0.00 0.00 42.46 38.75 2oqa s ILE 214 CO 0.10 0.00 -0.18 -0.04 -0.10 0.00 0.00 174.94 174.72 2oqa s MET 215 N -4.23 2.14 0.12 2.79 -1.94 -1.26 -0.51 119.30 116.41 2oqa s MET 215 Ca 0.41 -0.93 -0.01 0.00 -1.71 0.00 0.00 55.69 53.44 2oqa s MET 215 Cb -0.02 -2.21 0.03 0.00 2.01 0.00 0.00 34.83 34.64 2oqa s MET 215 CO 0.24 0.55 0.17 -0.40 -0.01 0.00 0.00 175.02 175.58 2oqa n ASP 216 N 1.72 0.12 0.08 3.03 5.75 -0.34 -4.22 116.55 122.69 2oqa n ASP 216 Ca -0.16 -1.13 0.07 0.00 -0.01 0.00 0.00 54.79 53.57 2oqa n ASP 216 Cb 0.52 -0.12 0.35 0.00 -1.03 0.00 0.00 41.12 40.84 2oqa n ASP 216 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2oqa n ALA 217 N -3.05 1.30 -0.02 2.12 0.00 -1.26 -1.51 120.51 118.09 2oqa n ALA 217 Ca -0.03 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2oqa n ALA 217 Cb 0.09 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 18.40 2oqa n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqa n GLY 218 N -0.79 2.02 1.96 0.00 0.00 -1.26 -4.96 105.19 102.16 2oqa n GLY 218 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2oqa n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqa n GLY 219 N 0.29 0.80 3.74 -0.02 0.00 -0.57 -5.03 105.19 104.40 2oqa n GLY 219 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2oqa n GLY 219 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oqa s GLN 220 N -0.28 4.54 0.18 1.61 0.74 -1.26 -4.67 119.66 120.51 2oqa s GLN 220 Ca 0.00 1.79 -0.32 0.00 0.05 0.00 0.00 55.36 56.89 2oqa s GLN 220 Cb 0.00 -3.26 -0.11 0.00 1.10 0.00 0.00 33.01 30.74 2oqa s GLN 220 CO 0.00 -0.02 1.74 1.03 -0.55 0.00 0.00 175.29 177.50 2oqa s ARG 221 N -0.26 4.14 -0.13 1.67 0.52 -1.26 -1.19 118.95 122.43 2oqa s ARG 221 Ca 0.51 2.58 0.00 0.00 -0.52 0.00 0.00 55.73 58.30 2oqa s ARG 221 Cb -0.31 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 31.93 2oqa s ARG 221 CO 0.36 -0.77 -0.12 0.08 0.02 0.00 0.00 175.30 174.87 2oqa s VAL 222 N 1.70 1.35 -0.23 3.52 1.01 0.33 -4.92 120.40 123.16 2oqa s VAL 222 Ca 0.76 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 2oqa s VAL 222 Cb -0.48 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2oqa s VAL 222 CO 0.33 0.42 0.79 -1.83 0.00 0.00 0.00 175.10 174.82 2oqa s GLU 223 N 1.56 4.19 -0.26 2.72 -1.05 -1.26 -0.94 118.70 123.66 2oqa s GLU 223 Ca 0.05 0.89 -0.14 0.00 -0.15 0.00 0.00 54.97 55.61 2oqa s GLU 223 Cb -0.13 -3.63 -0.04 0.00 -0.44 0.00 0.00 34.13 29.89 2oqa s GLU 223 CO -0.09 -0.46 0.33 0.42 0.95 0.00 0.00 175.26 176.40 2oqa s ILE 224 N 2.66 5.22 0.00 1.83 -1.09 0.16 -4.94 121.20 125.04 2oqa s ILE 224 Ca 0.34 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 2oqa s ILE 224 Cb -0.15 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 2oqa s ILE 224 CO 0.08 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 2oqa n GLY 225 N 4.57 0.82 3.64 6.18 0.00 -1.26 -0.85 105.19 118.29 2oqa n GLY 225 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2oqa n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqa s ASN 226 N -1.04 0.13 0.00 1.61 2.20 -1.26 -0.30 114.94 116.28 2oqa s ASN 226 Ca 0.00 -1.05 0.31 0.00 -0.94 0.00 0.00 52.86 51.18 2oqa s ASN 226 Cb 0.00 0.67 1.67 0.00 -2.00 0.00 0.00 41.25 41.59 2oqa s ASN 226 CO 0.00 -1.30 2.11 1.33 -2.94 0.00 0.00 177.10 176.30 2oqa n VAL 227 N -0.46 0.00 0.36 3.54 0.24 -0.10 -3.14 118.33 118.77 2oqa n VAL 227 Ca -0.03 -0.03 0.14 0.00 -2.04 0.00 0.00 64.34 62.38 2oqa n VAL 227 Cb 0.61 -0.37 0.42 0.00 -1.47 0.00 0.00 33.84 33.03 2oqa n VAL 227 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2oqa h GLY 228 N 4.98 0.00 -3.26 7.63 0.00 -1.97 -3.39 103.07 107.07 2oqa h GLY 228 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2oqa h GLY 228 CO 0.00 0.00 0.68 -1.26 0.00 0.00 0.00 176.54 175.96 2oqa n SER 229 N -2.76 3.14 0.20 0.19 2.88 -1.19 -4.79 113.62 111.30 2oqa n SER 229 Ca 0.03 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.78 2oqa n SER 229 Cb 0.39 -1.60 0.73 0.00 -0.75 0.00 0.00 64.21 62.99 2oqa n SER 229 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2oqa h LYS 230 N 2.02 0.00 -0.49 -1.46 1.79 -1.93 -0.61 116.57 115.89 2oqa h LYS 230 Ca -0.51 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 2oqa h LYS 230 Cb 1.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.91 2oqa h LYS 230 CO 0.60 0.00 0.27 0.28 -1.08 0.00 0.00 179.45 179.51 2oqa h VAL 231 N 0.00 1.15 0.15 0.50 2.07 -1.90 -0.00 116.25 118.22 2oqa h VAL 231 Ca 0.07 -0.39 -0.30 0.00 0.82 0.00 0.00 66.70 66.90 2oqa h VAL 231 Cb 0.32 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2oqa h VAL 231 CO -0.00 0.17 -1.49 0.58 0.02 0.00 0.00 177.57 176.84 2oqa h VAL 232 N 0.68 1.05 0.00 2.57 2.07 -1.44 -1.50 116.25 119.68 2oqa h VAL 232 Ca 0.18 -2.47 -0.22 0.00 0.82 0.00 0.00 66.70 65.01 2oqa h VAL 232 Cb 0.02 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 2oqa h VAL 232 CO -0.03 0.77 -1.14 0.71 0.02 0.00 0.00 177.57 177.90 2oqa h THR 233 N -0.13 1.33 -0.40 2.57 1.35 -1.25 -3.42 112.91 112.96 2oqa h THR 233 Ca -0.30 -3.02 -0.25 0.00 -0.55 0.00 0.00 66.41 62.29 2oqa h THR 233 Cb 1.90 2.64 -0.31 0.00 -1.73 0.00 0.00 68.15 70.65 2oqa h THR 233 CO 0.12 0.76 -0.84 2.29 -0.25 0.00 0.00 175.52 177.60 2oqa n LYS 234 N -3.23 1.45 0.00 4.72 2.85 -0.02 -4.98 118.16 118.94 2oqa n LYS 234 Ca -0.05 -2.70 0.00 0.00 -1.05 0.00 0.00 58.31 54.52 2oqa n LYS 234 Cb 0.94 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 34.47 2oqa n LYS 234 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2oqa n ASN 235 N -0.70 0.00 -4.74 -5.58 2.85 -1.17 -4.79 115.26 101.12 2oqa n ASN 235 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.06 2oqa n ASN 235 Cb 0.83 0.26 -0.02 0.00 1.24 0.00 0.00 39.78 42.09 2oqa n ASN 235 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2oqa s ILE 236 N -0.87 2.25 -0.01 -1.44 2.07 -0.56 -0.69 121.20 121.94 2oqa s ILE 236 Ca 0.00 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 2oqa s ILE 236 Cb 0.00 -3.13 -0.00 0.00 0.13 0.00 0.00 42.46 39.45 2oqa s ILE 236 CO 0.00 0.03 0.01 0.00 -1.91 0.00 0.00 174.94 173.08 2oqa n GLN 237 N 2.45 4.97 -3.79 3.50 1.13 0.92 -4.91 117.38 121.65 2oqa n GLN 237 Ca 0.09 -0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.02 2oqa n GLN 237 Cb 0.38 -0.65 -0.13 0.00 0.11 0.00 0.00 30.24 29.95 2oqa n GLN 237 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2oqa s LEU 238 N -2.30 1.08 -0.13 1.08 1.43 -1.25 -3.68 118.68 114.91 2oqa s LEU 238 Ca 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2oqa s LEU 238 Cb 0.00 0.61 -0.01 0.00 0.03 0.00 0.00 46.19 46.82 2oqa s LEU 238 CO 0.02 -0.09 -0.14 -0.76 0.23 0.00 0.00 176.35 175.60 2oqa s LEU 239 N 0.43 2.64 0.30 1.79 1.43 0.30 -4.96 118.68 120.61 2oqa s LEU 239 Ca -0.03 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 2oqa s LEU 239 Cb -0.04 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.49 2oqa s LEU 239 CO -0.02 0.15 1.41 -0.22 0.23 0.00 0.00 176.35 177.91 2oqa s LEU 240 N 0.41 4.39 0.00 1.79 2.96 -1.26 -1.61 118.68 125.36 2oqa s LEU 240 Ca -0.11 2.76 0.05 0.00 -0.22 0.00 0.00 54.13 56.61 2oqa s LEU 240 Cb -0.16 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.93 2oqa s LEU 240 CO 0.05 -0.69 0.65 -3.20 -1.32 0.00 0.00 176.35 171.84