#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1arm n ARG 2 N 0.00 0.52 -3.61 0.00 1.74 -1.26 -4.95 116.66 109.09 1arm n ARG 2 Ca 0.00 -0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1arm n ARG 2 Cb 0.00 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 1arm n ARG 2 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1arm s SER 3 N -4.61 -0.37 0.64 0.55 0.15 -1.26 -5.00 113.70 103.79 1arm s SER 3 Ca -0.02 0.11 0.38 0.00 0.70 0.00 0.00 55.95 57.12 1arm s SER 3 Cb 0.13 0.46 2.12 0.00 -1.71 0.00 0.00 66.02 67.02 1arm s SER 3 CO 0.84 -0.69 2.29 0.71 1.20 0.00 0.00 173.24 177.59 1arm h THR 4 N 2.90 0.22 0.00 6.45 1.35 -1.92 0.21 112.91 122.12 1arm h THR 4 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1arm h THR 4 Cb 1.21 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1arm h THR 4 CO 0.42 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 176.47 1arm h ASN 5 N 0.00 0.00 -0.05 5.36 -0.26 -2.01 -2.70 115.58 115.92 1arm h ASN 5 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1arm h ASN 5 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1arm h ASN 5 CO -0.00 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 176.72 1arm n THR 6 N -2.78 0.09 -1.90 2.81 -2.24 0.72 -4.96 114.28 106.02 1arm n THR 6 Ca 0.01 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 1arm n THR 6 Cb 0.27 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 1arm n THR 6 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1arm s PHE 7 N -1.13 2.73 -0.66 4.78 5.36 -1.01 -3.97 117.98 124.09 1arm s PHE 7 Ca 0.17 1.22 -0.24 0.00 -0.96 0.00 0.00 56.93 57.11 1arm s PHE 7 Cb 0.12 -3.92 0.05 0.00 -0.34 0.00 0.00 43.02 38.92 1arm s PHE 7 CO 0.17 -2.69 1.07 1.21 -1.46 0.00 0.00 175.22 173.52 1arm s ASN 8 N -0.20 6.21 0.03 6.13 3.84 -1.26 -4.85 114.94 124.83 1arm s ASN 8 Ca 0.52 -0.68 0.24 0.00 0.21 0.00 0.00 52.86 53.15 1arm s ASN 8 Cb -0.45 -2.47 1.01 0.00 -0.55 0.00 0.00 41.25 38.80 1arm s ASN 8 CO 0.59 -1.53 1.77 -1.22 -2.79 0.00 0.00 177.10 173.92 1arm n TYR 9 N 8.22 0.10 -1.07 0.43 4.01 -1.26 -3.64 117.16 123.94 1arm n TYR 9 Ca -0.00 0.03 -0.22 0.00 -0.16 0.00 0.00 57.90 57.55 1arm n TYR 9 Cb 0.47 -0.55 0.17 0.00 -0.31 0.00 0.00 39.34 39.11 1arm n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1arm n ALA 10 N -1.53 5.39 -2.80 -0.72 0.00 -1.26 -4.67 120.51 114.93 1arm n ALA 10 Ca 0.06 -2.70 -0.09 0.00 0.00 0.00 0.00 53.44 50.71 1arm n ALA 10 Cb 0.29 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 1arm n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1arm s THR 11 N -3.07 0.08 0.24 0.00 -1.32 -1.24 -4.58 115.64 105.75 1arm s THR 11 Ca 0.53 -1.14 -0.10 0.00 -1.21 0.00 0.00 61.69 59.77 1arm s THR 11 Cb 0.45 -1.58 -0.07 0.00 -1.51 0.00 0.00 72.50 69.78 1arm s THR 11 CO 0.10 -0.37 0.57 -0.31 -2.21 0.00 0.00 174.62 172.41 1arm s TYR 12 N -3.90 3.42 0.35 9.09 2.02 -1.26 -5.00 117.35 122.07 1arm s TYR 12 Ca 0.11 0.93 0.06 0.00 -0.37 0.00 0.00 57.07 57.79 1arm s TYR 12 Cb 0.03 -2.30 -0.07 0.00 -0.40 0.00 0.00 41.96 39.22 1arm s TYR 12 CO -0.05 0.25 0.01 -1.01 -1.57 0.00 0.00 175.55 173.18 1arm s HIS 13 N -1.83 2.18 0.72 2.71 3.76 -1.26 -5.15 115.29 116.43 1arm s HIS 13 Ca 0.48 -0.79 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 1arm s HIS 13 Cb -0.11 -1.42 0.11 0.00 1.11 0.00 0.00 32.58 32.27 1arm s HIS 13 CO 0.21 0.24 1.00 0.95 -0.85 0.00 0.00 174.74 176.29 1arm s THR 14 N -3.01 2.22 0.18 1.30 -4.23 -1.26 -4.91 115.64 105.94 1arm s THR 14 Ca 0.34 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.24 1arm s THR 14 Cb 0.08 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1arm s THR 14 CO 0.16 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.32 1arm h LEU 15 N -0.59 0.59 -0.60 4.79 5.85 -1.97 -2.30 115.31 121.08 1arm h LEU 15 Ca -0.39 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 1arm h LEU 15 Cb 1.28 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1arm h LEU 15 CO 0.45 0.42 0.19 0.44 -0.34 0.00 0.00 178.44 179.60 1arm h ASP 16 N 0.71 0.87 -0.57 1.25 3.32 -1.99 -0.21 116.42 119.80 1arm h ASP 16 Ca 0.21 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1arm h ASP 16 Cb -0.04 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1arm h ASP 16 CO -0.07 0.84 0.29 -0.33 -1.72 0.00 0.00 179.24 178.26 1arm h GLU 17 N 0.84 0.84 -0.29 3.56 5.08 -1.88 0.12 114.58 122.85 1arm h GLU 17 Ca 0.19 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1arm h GLU 17 Cb 0.28 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1arm h GLU 17 CO -0.01 0.64 -0.47 0.82 -1.00 0.00 0.00 179.01 178.99 1arm h ILE 18 N 0.84 1.29 -0.53 3.13 2.04 -0.89 -0.98 117.51 122.40 1arm h ILE 18 Ca 0.21 -1.67 -0.10 0.00 1.00 0.00 0.00 64.86 64.31 1arm h ILE 18 Cb 0.08 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1arm h ILE 18 CO -0.03 0.54 -0.05 1.88 0.00 0.00 0.00 178.15 180.49 1arm h TYR 19 N 0.62 1.04 -0.58 1.37 -1.99 -0.42 -2.12 116.97 114.89 1arm h TYR 19 Ca 0.03 -0.18 -0.03 0.00 2.00 0.00 0.00 58.73 60.55 1arm h TYR 19 Cb 1.05 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.48 1arm h TYR 19 CO 0.06 0.95 0.25 -0.44 -0.00 0.00 0.00 178.16 178.98 1arm h ASP 20 N 0.86 0.79 -0.44 3.88 3.32 -0.60 -2.65 116.42 121.59 1arm h ASP 20 Ca 0.15 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1arm h ASP 20 Cb 0.58 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1arm h ASP 20 CO 0.03 0.73 0.06 0.15 -1.72 0.00 0.00 179.24 178.49 1arm h PHE 21 N 0.80 0.08 -0.60 4.55 3.04 -0.90 -1.51 116.94 122.41 1arm h PHE 21 Ca 0.20 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.23 1arm h PHE 21 Cb 0.17 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 1arm h PHE 21 CO 0.01 -0.03 0.30 0.52 -2.02 0.00 0.00 178.31 177.09 1arm h MET 22 N 0.18 0.55 -0.58 1.11 2.86 -1.03 -1.57 114.93 116.45 1arm h MET 22 Ca 0.22 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1arm h MET 22 Cb 0.29 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1arm h MET 22 CO -0.31 0.36 0.03 -0.44 1.06 0.00 0.00 176.91 177.62 1arm h ASP 23 N 0.57 0.95 -0.52 1.22 3.32 -1.24 -2.13 116.42 118.59 1arm h ASP 23 Ca 0.27 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1arm h ASP 23 Cb 0.20 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1arm h ASP 23 CO -0.19 0.99 0.32 -0.07 -1.72 0.00 0.00 179.24 178.57 1arm h LEU 24 N 0.91 0.62 -0.71 1.55 3.38 -0.67 -0.96 115.31 119.43 1arm h LEU 24 Ca 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1arm h LEU 24 Cb 0.49 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1arm h LEU 24 CO 0.02 0.48 0.37 0.25 0.09 0.00 0.00 178.44 179.65 1arm h LEU 25 N 0.70 0.90 -0.39 1.67 5.85 -0.98 0.05 115.31 123.11 1arm h LEU 25 Ca 0.19 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1arm h LEU 25 Cb -0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1arm h LEU 25 CO -0.04 0.75 -0.15 0.58 -0.34 0.00 0.00 178.44 179.24 1arm h VAL 26 N 0.98 1.28 -0.71 1.05 2.07 -1.24 -0.22 116.25 119.46 1arm h VAL 26 Ca 0.25 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1arm h VAL 26 Cb 0.06 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1arm h VAL 26 CO -0.04 0.42 0.39 0.00 0.02 0.00 0.00 177.57 178.37 1arm h ALA 27 N 0.82 0.98 0.00 1.67 0.00 -0.56 -2.10 119.26 120.07 1arm h ALA 27 Ca 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1arm h ALA 27 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1arm h ALA 27 CO 0.05 0.04 -0.38 0.93 0.00 0.00 0.00 179.25 179.89 1arm h GLU 28 N 0.69 0.00 -1.47 0.00 5.08 -0.72 -3.37 114.58 114.79 1arm h GLU 28 Ca 0.33 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.25 1arm h GLU 28 Cb 0.26 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.11 1arm h GLU 28 CO -0.22 0.38 -1.10 0.72 -1.00 0.00 0.00 179.01 177.79 1arm n HIS 29 N -3.25 1.33 0.27 4.33 8.25 -0.12 -4.90 115.22 121.14 1arm n HIS 29 Ca 0.02 -3.24 0.18 0.00 -0.26 0.00 0.00 57.72 54.42 1arm n HIS 29 Cb 0.65 -0.37 0.94 0.00 1.12 0.00 0.00 29.99 32.33 1arm n HIS 29 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1arm h PRO 30 N 2.95 0.00 -0.00 -0.41 0.13 -1.57 0.19 132.00 133.29 1arm h PRO 30 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1arm h PRO 30 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1arm h PRO 30 CO 0.56 0.00 -0.16 0.94 -0.23 0.00 0.00 178.00 179.11 1arm n GLN 31 N -3.38 0.72 -0.01 0.86 -0.06 -1.26 -4.18 117.38 110.07 1arm n GLN 31 Ca -0.01 -0.32 -0.01 0.00 -2.00 0.00 0.00 57.00 54.66 1arm n GLN 31 Cb 0.27 -1.49 -0.02 0.00 -4.06 0.00 0.00 30.24 24.93 1arm n GLN 31 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1arm n LEU 32 N -0.86 0.33 -4.09 1.69 7.94 0.51 -4.78 117.00 117.74 1arm n LEU 32 Ca 0.13 -0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.84 1arm n LEU 32 Cb 0.30 0.04 -0.14 0.00 0.53 0.00 0.00 43.42 44.16 1arm n LEU 32 CO 0.25 0.12 -0.45 0.54 -1.11 0.00 0.00 177.39 176.73 1arm s VAL 33 N -2.06 0.91 0.07 1.96 0.11 -0.23 -1.32 120.40 119.84 1arm s VAL 33 Ca -0.02 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 1arm s VAL 33 Cb 0.01 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1arm s VAL 33 CO 0.10 0.08 -0.10 -0.94 -3.33 0.00 0.00 175.10 170.91 1arm s SER 34 N -0.73 1.28 -0.28 3.54 1.04 -0.10 -4.61 113.70 113.84 1arm s SER 34 Ca 0.02 -0.66 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 1arm s SER 34 Cb -0.06 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 1arm s SER 34 CO 0.00 -0.19 0.12 -0.75 0.98 0.00 0.00 173.24 173.40 1arm s LYS 35 N -2.05 3.46 0.02 4.02 2.20 -1.26 -0.42 119.74 125.70 1arm s LYS 35 Ca -0.02 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1arm s LYS 35 Cb -0.07 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1arm s LYS 35 CO 0.01 -0.32 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.13 1arm s LEU 36 N 1.61 3.30 -0.24 5.43 1.43 -0.48 -4.99 118.68 124.75 1arm s LEU 36 Ca 0.05 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1arm s LEU 36 Cb -0.16 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1arm s LEU 36 CO 0.05 0.27 0.04 -1.58 0.23 0.00 0.00 176.35 175.35 1arm s GLN 37 N -1.59 3.60 0.00 1.70 0.74 -1.26 -1.70 119.66 121.14 1arm s GLN 37 Ca 0.19 -0.51 0.14 0.00 0.05 0.00 0.00 55.36 55.23 1arm s GLN 37 Cb -0.11 -3.23 0.22 0.00 1.10 0.00 0.00 33.01 30.98 1arm s GLN 37 CO 0.10 -0.16 1.09 0.44 -0.55 0.00 0.00 175.29 176.21 1arm n ILE 38 N 4.79 0.38 -2.74 -2.34 -5.35 0.01 -5.01 119.36 109.11 1arm n ILE 38 Ca -0.17 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 1arm n ILE 38 Cb 0.51 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 1arm n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1arm n GLY 39 N 0.79 -1.29 3.01 3.28 0.00 -1.23 -4.81 105.19 104.93 1arm n GLY 39 Ca 0.11 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1arm n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1arm s ARG 40 N -0.60 0.60 1.16 1.61 0.52 -1.26 -1.43 118.95 119.55 1arm s ARG 40 Ca 0.00 -0.33 -0.16 0.00 -0.52 0.00 0.00 55.73 54.72 1arm s ARG 40 Cb 0.00 -0.57 0.26 0.00 0.52 0.00 0.00 34.95 35.17 1arm s ARG 40 CO 0.00 0.15 1.07 -1.54 0.02 0.00 0.00 175.30 175.00 1arm s SER 41 N -0.34 1.26 0.18 0.23 1.04 0.15 -4.76 113.70 111.46 1arm s SER 41 Ca 0.02 0.96 -0.13 0.00 0.48 0.00 0.00 55.95 57.27 1arm s SER 41 Cb -0.04 -1.44 0.16 0.00 0.10 0.00 0.00 66.02 64.80 1arm s SER 41 CO -0.00 -3.95 1.74 0.22 0.98 0.00 0.00 173.24 172.23 1arm h TYR 42 N -2.46 0.29 -0.19 5.02 3.20 -1.96 0.71 116.97 121.58 1arm h TYR 42 Ca -0.51 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1arm h TYR 42 Cb 1.32 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1arm h TYR 42 CO -1.06 0.09 0.00 0.39 -1.64 0.00 0.00 178.16 175.94 1arm n GLU 43 N -5.02 1.64 -0.66 1.82 1.02 -1.26 -4.90 120.64 113.29 1arm n GLU 43 Ca 0.05 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 1arm n GLU 43 Cb 0.20 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1arm n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1arm n GLY 44 N 0.64 0.69 3.76 0.62 0.00 0.24 -5.06 105.19 106.08 1arm n GLY 44 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1arm n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1arm s ARG 45 N -0.34 4.69 0.52 1.61 0.52 -1.26 -4.61 118.95 120.08 1arm s ARG 45 Ca 0.00 1.59 -0.21 0.00 -0.52 0.00 0.00 55.73 56.59 1arm s ARG 45 Cb 0.00 -3.13 -0.06 0.00 0.52 0.00 0.00 34.95 32.28 1arm s ARG 45 CO 0.00 0.32 1.16 -1.25 0.02 0.00 0.00 175.30 175.55 1arm s PRO 46 N -1.50 3.45 -0.29 3.54 0.04 -1.26 0.35 135.00 139.33 1arm s PRO 46 Ca 0.45 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 63.14 1arm s PRO 46 Cb -0.27 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1arm s PRO 46 CO 0.34 -0.79 0.07 0.42 0.04 0.00 0.00 177.00 177.08 1arm s ILE 47 N -1.66 3.87 -0.00 0.56 1.01 -0.51 -4.79 121.20 119.69 1arm s ILE 47 Ca 0.70 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1arm s ILE 47 Cb -0.27 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1arm s ILE 47 CO 0.31 0.08 -0.12 -0.31 0.00 0.00 0.00 174.94 174.90 1arm s TYR 48 N 1.48 2.74 -0.06 3.97 2.02 -1.26 -0.81 117.35 125.43 1arm s TYR 48 Ca 0.02 -0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 1arm s TYR 48 Cb -0.17 -1.58 -0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1arm s TYR 48 CO 0.02 0.28 -0.19 0.08 -1.57 0.00 0.00 175.55 174.17 1arm s VAL 49 N -0.89 1.61 -0.06 0.71 1.01 -0.69 -4.38 120.40 117.71 1arm s VAL 49 Ca 0.15 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1arm s VAL 49 Cb -0.11 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1arm s VAL 49 CO 0.05 0.46 0.47 -0.76 0.00 0.00 0.00 175.10 175.32 1arm s LEU 50 N 0.16 4.37 -0.19 3.92 1.43 0.27 -1.38 118.68 127.26 1arm s LEU 50 Ca -0.08 0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1arm s LEU 50 Cb -0.14 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 1arm s LEU 50 CO 0.04 0.13 -0.03 -0.75 0.23 0.00 0.00 176.35 175.97 1arm s LYS 51 N -0.08 3.55 -0.21 1.70 2.20 0.44 -0.37 119.74 126.97 1arm s LYS 51 Ca 0.26 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.25 1arm s LYS 51 Cb -0.16 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1arm s LYS 51 CO 0.12 0.03 0.03 -0.06 -0.36 0.00 0.00 175.35 175.11 1arm s PHE 52 N 0.93 3.08 -0.10 4.03 0.40 0.45 -0.92 117.98 125.85 1arm s PHE 52 Ca 0.00 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.69 1arm s PHE 52 Cb -0.15 -2.11 0.08 0.00 0.51 0.00 0.00 43.02 41.35 1arm s PHE 52 CO 0.01 -0.19 0.75 0.45 0.70 0.00 0.00 175.22 176.95 1arm s SER 53 N 1.00 -0.61 0.00 1.36 0.15 -0.44 -1.09 113.70 114.07 1arm s SER 53 Ca 0.02 0.74 0.22 0.00 0.70 0.00 0.00 55.95 57.63 1arm s SER 53 Cb -0.14 0.60 0.38 0.00 -1.71 0.00 0.00 66.02 65.14 1arm s SER 53 CO 0.02 -0.52 1.34 0.35 1.20 0.00 0.00 173.24 175.64 1arm n THR 54 N 1.08 0.46 0.00 6.45 -2.24 -1.25 -4.42 114.28 114.37 1arm n THR 54 Ca -0.17 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1arm n THR 54 Cb 0.57 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1arm n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1arm n GLY 55 N 1.37 0.76 1.70 3.38 0.00 -1.26 -5.08 105.19 106.07 1arm n GLY 55 Ca 0.18 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.40 1arm n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1arm n GLY 56 N 0.00 -2.14 2.90 -0.02 0.00 -1.26 -4.82 105.19 99.84 1arm n GLY 56 Ca 0.00 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 1arm n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1arm s SER 57 N -3.12 1.45 -1.41 1.61 1.04 -1.26 -4.86 113.70 107.15 1arm s SER 57 Ca 0.00 -0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 1arm s SER 57 Cb 0.00 -0.59 0.03 0.00 0.10 0.00 0.00 66.02 65.57 1arm s SER 57 CO 0.00 -0.08 0.75 0.59 0.98 0.00 0.00 173.24 175.49 1arm n ASN 58 N 4.38 -2.31 -4.77 7.02 4.13 -1.26 -4.95 115.26 117.50 1arm n ASN 58 Ca -0.19 -0.84 -0.33 0.00 1.68 0.00 0.00 54.58 54.90 1arm n ASN 58 Cb 0.51 -3.81 0.04 0.00 -1.54 0.00 0.00 39.78 34.99 1arm n ASN 58 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1arm s ARG 59 N -6.31 2.84 0.44 3.52 0.52 -1.26 -4.94 118.95 113.76 1arm s ARG 59 Ca 0.25 1.40 -0.25 0.00 -0.52 0.00 0.00 55.73 56.61 1arm s ARG 59 Cb -0.12 -1.96 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 1arm s ARG 59 CO 0.83 -1.22 1.21 -2.30 0.02 0.00 0.00 175.30 173.85 1arm n PRO 60 N -2.35 1.74 -4.23 3.54 -0.02 -1.26 -4.61 135.00 127.81 1arm n PRO 60 Ca 0.10 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1arm n PRO 60 Cb 0.52 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 1arm n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1arm s ALA 61 N -1.24 1.28 -0.19 3.55 0.00 -0.43 -1.62 121.76 123.11 1arm s ALA 61 Ca 0.63 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 1arm s ALA 61 Cb -0.50 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1arm s ALA 61 CO 0.56 -0.38 -0.11 0.42 0.00 0.00 0.00 175.76 176.26 1arm s ILE 62 N -3.77 2.91 -0.14 0.00 1.01 -0.77 0.01 121.20 120.45 1arm s ILE 62 Ca 0.26 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 1arm s ILE 62 Cb 0.07 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 1arm s ILE 62 CO 0.05 0.48 0.23 0.86 0.00 0.00 0.00 174.94 176.55 1arm s TRP 63 N 1.18 3.53 -0.11 3.97 -0.11 -0.24 -0.29 118.94 126.87 1arm s TRP 63 Ca 0.02 0.57 -0.01 0.00 1.22 0.00 0.00 56.10 57.90 1arm s TRP 63 Cb -0.14 -2.18 0.03 0.00 -1.50 0.00 0.00 33.47 29.68 1arm s TRP 63 CO -0.04 0.45 -0.06 0.42 -4.62 0.00 0.00 176.95 173.11 1arm s ILE 64 N -0.21 0.86 0.11 5.86 1.01 -0.05 -0.91 121.20 127.88 1arm s ILE 64 Ca 0.15 -0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.70 1arm s ILE 64 Cb -0.13 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1arm s ILE 64 CO 0.04 0.33 -0.23 1.51 0.00 0.00 0.00 174.94 176.58 1arm s ASP 65 N 1.77 3.53 0.04 3.58 1.47 -0.54 -0.64 116.67 125.88 1arm s ASP 65 Ca 0.05 -0.65 0.00 0.00 1.18 0.00 0.00 52.55 53.13 1arm s ASP 65 Cb -0.13 -0.36 -0.03 0.00 -0.34 0.00 0.00 42.92 42.06 1arm s ASP 65 CO -0.07 0.19 -0.04 -0.76 0.68 0.00 0.00 175.17 175.17 1arm s LEU 66 N -1.98 2.37 -0.74 2.11 1.02 -0.48 -0.72 118.68 120.26 1arm s LEU 66 Ca 0.15 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.55 1arm s LEU 66 Cb -0.10 0.08 0.00 0.00 0.02 0.00 0.00 46.19 46.19 1arm s LEU 66 CO 0.07 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 176.63 1arm n GLY 67 N 0.83 0.91 0.34 -3.19 0.00 -1.23 -1.76 105.19 101.08 1arm n GLY 67 Ca -0.19 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.34 1arm n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1arm h ILE 68 N 0.00 0.96 -3.43 -0.61 2.10 -1.90 -3.26 117.51 111.37 1arm h ILE 68 Ca -0.14 -0.17 -0.72 0.00 1.08 0.00 0.00 64.86 64.91 1arm h ILE 68 Cb 0.51 0.44 -0.25 0.00 -1.09 0.00 0.00 36.82 36.42 1arm h ILE 68 CO 0.21 0.09 -0.43 -1.00 -1.08 0.00 0.00 178.15 175.93 1arm s HIS 69 N -5.45 3.29 0.28 2.19 3.76 -1.26 -4.64 115.29 113.46 1arm s HIS 69 Ca -0.08 -1.21 0.01 0.00 -0.15 0.00 0.00 55.06 53.63 1arm s HIS 69 Cb 0.19 -2.91 0.56 0.00 1.11 0.00 0.00 32.58 31.53 1arm s HIS 69 CO 0.75 -0.79 1.83 0.66 -0.85 0.00 0.00 174.74 176.34 1arm h SER 70 N 8.53 0.91 0.16 1.40 4.64 -1.61 -1.94 113.55 125.63 1arm h SER 70 Ca -0.25 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1arm h SER 70 Cb 1.10 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1arm h SER 70 CO 0.78 0.47 0.00 -2.11 -0.87 0.00 0.00 176.83 175.10 1arm n ARG 71 N -4.63 0.34 -1.96 4.77 0.00 -0.42 -4.14 116.66 110.61 1arm n ARG 71 Ca 0.19 0.08 -0.41 0.00 -0.00 0.00 0.00 57.85 57.71 1arm n ARG 71 Cb 0.37 -1.50 -0.01 0.00 -0.00 0.00 0.00 32.46 31.32 1arm n ARG 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1arm n GLU 72 N -1.16 4.08 -0.03 2.89 1.02 -0.73 -4.74 120.64 121.97 1arm n GLU 72 Ca 0.09 -3.23 0.23 0.00 -0.02 0.00 0.00 57.16 54.24 1arm n GLU 72 Cb 0.09 -2.78 0.72 0.00 -0.02 0.00 0.00 31.44 29.45 1arm n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1arm h TRP 73 N 5.07 0.00 -0.16 -0.32 4.06 -1.80 -0.05 115.95 122.75 1arm h TRP 73 Ca 0.64 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.63 1arm h TRP 73 Cb 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1arm h TRP 73 CO 1.54 0.00 0.12 0.97 -3.56 0.00 0.00 178.44 177.51 1arm h ILE 74 N 0.00 0.86 0.11 1.49 6.09 -1.85 -2.60 117.51 121.61 1arm h ILE 74 Ca 0.29 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.78 1arm h ILE 74 Cb 1.25 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1arm h ILE 74 CO -0.00 0.00 -0.05 0.71 -3.07 0.00 0.00 178.15 175.74 1arm h THR 75 N 0.00 1.11 -0.98 2.19 1.35 -1.34 -0.99 112.91 114.24 1arm h THR 75 Ca 0.08 -1.07 0.03 0.00 -0.55 0.00 0.00 66.41 64.89 1arm h THR 75 Cb 0.31 1.76 -0.05 0.00 -1.73 0.00 0.00 68.15 68.44 1arm h THR 75 CO -0.00 0.25 0.65 1.56 -0.25 0.00 0.00 175.52 177.72 1arm h GLN 76 N -0.66 1.23 -0.87 4.72 7.50 -1.65 0.07 115.11 125.46 1arm h GLN 76 Ca -0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 1arm h GLN 76 Cb 0.52 -0.28 -0.04 0.00 0.05 0.00 0.00 27.48 27.73 1arm h GLN 76 CO 0.02 0.81 0.44 0.00 -1.50 0.00 0.00 178.83 178.61 1arm h ALA 77 N 1.42 1.12 -0.29 3.87 0.00 -1.47 -0.85 119.26 123.05 1arm h ALA 77 Ca 0.38 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1arm h ALA 77 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1arm h ALA 77 CO -0.11 0.66 -0.23 1.15 0.00 0.00 0.00 179.25 180.72 1arm h THR 78 N 1.23 1.26 -0.29 0.00 2.02 -0.48 -2.44 112.91 114.21 1arm h THR 78 Ca 0.30 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.19 1arm h THR 78 Cb 0.08 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1arm h THR 78 CO -0.04 0.41 0.06 1.23 0.37 0.00 0.00 175.52 177.55 1arm h GLY 79 N 1.00 0.50 1.00 2.16 0.00 -0.01 0.92 103.07 108.64 1arm h GLY 79 Ca 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1arm h GLY 79 CO 0.05 0.30 0.26 -2.08 0.00 0.00 0.00 176.54 175.07 1arm h VAL 80 N 0.30 1.23 -0.51 4.60 2.07 -1.11 -1.78 116.25 121.05 1arm h VAL 80 Ca 0.09 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1arm h VAL 80 Cb 0.30 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1arm h VAL 80 CO 0.00 0.28 0.29 -0.25 0.02 0.00 0.00 177.57 177.92 1arm h TRP 81 N 0.89 0.69 -0.48 1.57 7.01 -0.98 -2.57 115.95 122.08 1arm h TRP 81 Ca 0.21 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.24 1arm h TRP 81 Cb 0.19 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 1arm h TRP 81 CO 0.01 0.50 0.26 0.74 -2.79 0.00 0.00 178.44 177.15 1arm h PHE 82 N 0.68 0.47 -0.60 2.65 -1.00 -0.59 0.50 116.94 119.06 1arm h PHE 82 Ca 0.18 0.02 0.08 0.00 2.81 0.00 0.00 57.97 61.06 1arm h PHE 82 Cb 0.03 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.38 1arm h PHE 82 CO -0.02 0.25 0.24 0.00 -1.61 0.00 0.00 178.31 177.17 1arm h ALA 83 N 1.25 0.77 -0.06 2.45 0.00 -0.96 -0.48 119.26 122.23 1arm h ALA 83 Ca 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1arm h ALA 83 Cb 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1arm h ALA 83 CO -0.13 -0.16 -0.00 -0.22 0.00 0.00 0.00 179.25 178.74 1arm h LYS 84 N 0.44 0.11 -0.87 0.00 1.63 -1.11 -3.15 116.57 113.62 1arm h LYS 84 Ca 0.29 -0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.17 1arm h LYS 84 Cb 0.33 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.87 1arm h LYS 84 CO -0.27 0.39 0.50 -0.22 -3.45 0.00 0.00 179.45 176.40 1arm h LYS 85 N -0.18 0.78 -0.64 1.90 1.63 -0.29 -1.07 116.57 118.69 1arm h LYS 85 Ca 0.02 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1arm h LYS 85 Cb 0.34 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 1arm h LYS 85 CO 0.00 0.52 0.39 0.74 -3.45 0.00 0.00 179.45 177.65 1arm h PHE 86 N 0.80 0.72 0.00 1.91 0.04 -1.07 0.25 116.94 119.59 1arm h PHE 86 Ca 0.44 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 61.16 1arm h PHE 86 Cb 0.46 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1arm h PHE 86 CO -0.05 0.39 -0.35 1.79 -0.60 0.00 0.00 178.31 179.49 1arm h THR 87 N 0.74 1.06 0.11 -1.55 1.35 -1.19 -2.71 112.91 110.73 1arm h THR 87 Ca 0.27 -1.27 -0.28 0.00 -0.55 0.00 0.00 66.41 64.58 1arm h THR 87 Cb 0.07 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1arm h THR 87 CO -0.13 0.34 -1.33 -0.33 -0.25 0.00 0.00 175.52 173.82 1arm h GLU 88 N 0.00 0.24 0.00 4.72 4.39 -0.44 -3.36 114.58 120.13 1arm h GLU 88 Ca -0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1arm h GLU 88 Cb 0.69 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1arm h GLU 88 CO 0.04 1.15 -0.43 -0.44 -1.16 0.00 0.00 179.01 178.17 1arm h ASP 89 N 0.06 0.00 -2.47 1.42 5.19 -0.49 -3.41 116.42 116.72 1arm h ASP 89 Ca -0.16 -0.01 -0.54 0.00 -0.62 0.00 0.00 57.03 55.70 1arm h ASP 89 Cb 1.97 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.49 1arm h ASP 89 CO 0.18 0.00 1.17 -0.47 -3.12 0.00 0.00 179.24 177.01 1arm s TYR 90 N -3.27 1.57 0.00 4.55 5.04 -1.03 -1.30 117.35 122.92 1arm s TYR 90 Ca 0.04 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1arm s TYR 90 Cb 0.07 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1arm s TYR 90 CO 0.72 -4.87 0.00 0.41 -1.34 0.00 0.00 175.55 170.47 1arm n GLY 91 N 4.37 2.49 0.06 8.97 0.00 -1.26 -4.82 105.19 115.00 1arm n GLY 91 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1arm n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1arm n GLN 92 N -2.00 0.37 -3.34 1.61 1.13 -0.42 -4.92 117.38 109.81 1arm n GLN 92 Ca 0.00 0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 1arm n GLN 92 Cb 0.00 -1.24 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 1arm n GLN 92 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1arm s ASP 93 N -5.14 6.19 0.29 1.08 2.15 -0.62 -4.96 116.67 115.67 1arm s ASP 93 Ca -0.16 -0.56 0.04 0.00 0.43 0.00 0.00 52.55 52.30 1arm s ASP 93 Cb 0.04 -2.22 0.66 0.00 -0.30 0.00 0.00 42.92 41.11 1arm s ASP 93 CO 0.28 -0.52 1.78 -0.65 -0.17 0.00 0.00 175.17 175.89 1arm h PRO 94 N 8.66 0.72 0.07 4.34 0.10 -1.91 0.17 132.00 144.15 1arm h PRO 94 Ca -0.27 -0.04 -0.00 0.00 0.10 0.00 0.00 66.00 65.78 1arm h PRO 94 Cb 1.12 -0.16 0.00 0.00 0.10 0.00 0.00 31.00 32.06 1arm h PRO 94 CO 0.77 0.48 -0.04 1.03 0.10 0.00 0.00 178.00 180.34 1arm h SER 95 N 0.74 -0.08 -0.87 -2.05 0.87 -1.96 -1.36 113.55 108.84 1arm h SER 95 Ca 0.54 -0.47 0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1arm h SER 95 Cb 0.80 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 1arm h SER 95 CO -0.37 0.46 0.56 0.15 -0.53 0.00 0.00 176.83 177.11 1arm h PHE 96 N -0.67 0.96 -0.50 2.24 3.57 -1.80 -1.43 116.94 119.30 1arm h PHE 96 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1arm h PHE 96 Cb 0.55 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1arm h PHE 96 CO 0.10 0.48 0.32 1.15 -2.23 0.00 0.00 178.31 178.13 1arm h THR 97 N 0.92 1.09 -0.47 4.41 2.02 -0.57 -0.85 112.91 119.46 1arm h THR 97 Ca 0.39 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1arm h THR 97 Cb 0.30 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1arm h THR 97 CO -0.15 0.12 0.19 0.00 0.37 0.00 0.00 175.52 176.04 1arm h ALA 98 N 1.20 1.44 0.45 6.16 0.00 -0.24 -2.04 119.26 126.23 1arm h ALA 98 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1arm h ALA 98 Cb -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1arm h ALA 98 CO -0.06 0.43 -0.21 0.82 0.00 0.00 0.00 179.25 180.22 1arm h ILE 99 N 0.67 0.56 0.00 0.00 2.04 -0.34 -2.92 117.51 117.52 1arm h ILE 99 Ca 0.16 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1arm h ILE 99 Cb 0.14 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1arm h ILE 99 CO -0.02 0.02 0.00 -0.07 0.00 0.00 0.00 178.15 178.08 1arm h LEU 100 N -0.66 0.00 -0.53 1.44 3.38 -0.99 0.45 115.31 118.40 1arm h LEU 100 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1arm h LEU 100 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1arm h LEU 100 CO 0.10 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.07 1arm h ASP 101 N 0.00 0.00 0.00 -0.43 3.32 -1.18 -3.33 116.42 114.80 1arm h ASP 101 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1arm h ASP 101 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1arm h ASP 101 CO 0.00 0.00 -0.54 -1.20 -1.72 0.00 0.00 179.24 175.78 1arm n SER 102 N -2.62 2.69 -4.07 6.45 7.64 -0.90 -4.98 113.62 117.83 1arm n SER 102 Ca 0.03 -0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.67 1arm n SER 102 Cb 0.37 0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 64.27 1arm n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1arm s MET 103 N -1.35 0.56 0.22 1.43 -1.94 0.10 -4.51 119.30 113.81 1arm s MET 103 Ca 0.00 -0.95 0.05 0.00 -1.71 0.00 0.00 55.69 53.08 1arm s MET 103 Cb 0.00 -0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.75 1arm s MET 103 CO 0.00 -0.03 0.33 -0.51 -0.01 0.00 0.00 175.02 174.81 1arm s ASP 104 N -2.17 6.29 -0.07 3.03 1.01 -0.64 -4.32 116.67 119.80 1arm s ASP 104 Ca -0.03 0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.34 1arm s ASP 104 Cb -0.03 -1.85 0.00 0.00 1.01 0.00 0.00 42.92 42.06 1arm s ASP 104 CO -0.03 -0.04 -0.18 -0.63 0.21 0.00 0.00 175.17 174.50 1arm s ILE 105 N -1.93 1.55 -0.20 0.77 1.01 -0.25 -1.85 121.20 120.30 1arm s ILE 105 Ca 0.34 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1arm s ILE 105 Cb -0.09 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1arm s ILE 105 CO 0.29 0.45 -0.02 -0.36 0.00 0.00 0.00 174.94 175.29 1arm s PHE 106 N 0.36 3.00 -0.16 3.97 0.40 0.60 -0.41 117.98 125.73 1arm s PHE 106 Ca -0.13 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 1arm s PHE 106 Cb -0.15 -2.07 0.02 0.00 0.51 0.00 0.00 43.02 41.33 1arm s PHE 106 CO 0.05 -0.32 -0.19 -1.17 0.70 0.00 0.00 175.22 174.29 1arm s LEU 107 N 1.06 2.02 -0.49 -0.37 2.96 0.51 -0.87 118.68 123.49 1arm s LEU 107 Ca 0.01 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 1arm s LEU 107 Cb -0.14 -1.40 0.13 0.00 0.50 0.00 0.00 46.19 45.27 1arm s LEU 107 CO 0.01 0.00 0.35 -0.70 -1.32 0.00 0.00 176.35 174.69 1arm s GLU 108 N 1.24 2.43 0.17 1.98 2.12 0.18 -0.56 118.70 126.26 1arm s GLU 108 Ca 0.03 -1.91 -0.07 0.00 0.36 0.00 0.00 54.97 53.37 1arm s GLU 108 Cb -0.13 -3.85 0.05 0.00 0.26 0.00 0.00 34.13 30.46 1arm s GLU 108 CO -0.10 -1.17 1.50 0.82 -0.54 0.00 0.00 175.26 175.77 1arm h ILE 109 N 6.01 1.29 -3.22 -3.70 2.04 -1.83 -1.27 117.51 116.83 1arm h ILE 109 Ca -0.15 -1.65 -0.62 0.00 1.00 0.00 0.00 64.86 63.44 1arm h ILE 109 Cb 1.05 1.55 -0.40 0.00 -0.74 0.00 0.00 36.82 38.28 1arm h ILE 109 CO 0.80 0.53 -0.70 -0.69 0.00 0.00 0.00 178.15 178.09 1arm s VAL 110 N -4.22 1.89 -0.23 1.67 1.01 -1.26 -4.35 120.40 114.91 1arm s VAL 110 Ca -0.09 -2.71 0.24 0.00 0.00 0.00 0.00 61.98 59.42 1arm s VAL 110 Cb 0.11 -2.33 0.31 0.00 0.00 0.00 0.00 36.38 34.47 1arm s VAL 110 CO 0.86 -0.81 1.69 0.74 0.00 0.00 0.00 175.10 177.58 1arm h THR 111 N 5.60 0.16 -2.61 3.92 2.02 -1.52 -3.37 112.91 117.11 1arm h THR 111 Ca -0.05 -1.06 -0.60 0.00 0.77 0.00 0.00 66.41 65.47 1arm h THR 111 Cb 0.93 1.92 -0.40 0.00 -1.74 0.00 0.00 68.15 68.87 1arm h THR 111 CO 0.56 0.08 -0.83 -3.20 0.37 0.00 0.00 175.52 172.51 1arm n ASN 112 N -3.14 0.87 -0.00 4.18 4.05 -1.23 -4.87 115.26 115.12 1arm n ASN 112 Ca 0.03 -2.70 -0.04 0.00 0.45 0.00 0.00 54.58 52.31 1arm n ASN 112 Cb 0.50 -0.63 0.19 0.00 1.23 0.00 0.00 39.78 41.06 1arm n ASN 112 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1arm h PRO 113 N 5.47 0.53 -0.39 1.20 0.13 -1.90 -1.56 132.00 135.48 1arm h PRO 113 Ca 0.22 -0.20 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 1arm h PRO 113 Cb 0.85 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1arm h PRO 113 CO 0.51 0.73 -0.15 -0.44 -0.23 0.00 0.00 178.00 178.41 1arm h ASP 114 N 0.47 0.81 -0.68 1.44 3.32 -1.95 -0.75 116.42 119.07 1arm h ASP 114 Ca 0.07 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1arm h ASP 114 Cb 0.66 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1arm h ASP 114 CO 0.05 1.01 0.25 1.23 -1.72 0.00 0.00 179.24 180.06 1arm h GLY 115 N 0.59 1.10 0.90 2.75 0.00 -1.73 -1.52 103.07 105.16 1arm h GLY 115 Ca 0.09 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1arm h GLY 115 CO 0.05 0.58 0.08 -2.75 0.00 0.00 0.00 176.54 174.50 1arm h PHE 116 N 0.97 0.15 -0.95 5.60 3.57 -0.98 0.09 116.94 125.38 1arm h PHE 116 Ca 0.22 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.77 1arm h PHE 116 Cb 0.24 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1arm h PHE 116 CO 0.02 0.08 0.62 0.00 -2.23 0.00 0.00 178.31 176.80 1arm h ALA 117 N 1.10 1.26 -0.86 2.41 0.00 -0.96 -1.40 119.26 120.81 1arm h ALA 117 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1arm h ALA 117 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1arm h ALA 117 CO -0.06 0.50 0.57 0.35 0.00 0.00 0.00 179.25 180.60 1arm h PHE 118 N 1.20 1.07 0.00 0.00 3.57 -0.36 0.11 116.94 122.53 1arm h PHE 118 Ca 0.38 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1arm h PHE 118 Cb 0.01 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.39 1arm h PHE 118 CO -0.01 0.66 -0.05 1.79 -2.23 0.00 0.00 178.31 178.47 1arm h THR 119 N 1.15 0.33 0.00 4.41 1.35 0.12 0.18 112.91 120.45 1arm h THR 119 Ca 0.32 -0.30 -0.19 0.00 -0.55 0.00 0.00 66.41 65.69 1arm h THR 119 Cb -0.10 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 1arm h THR 119 CO -0.08 0.05 -1.66 1.41 -0.25 0.00 0.00 175.52 175.00 1arm n HIS 120 N -3.45 0.72 -0.10 4.73 8.25 -0.12 -3.82 115.22 121.42 1arm n HIS 120 Ca -0.02 0.24 -0.20 0.00 -0.26 0.00 0.00 57.72 57.48 1arm n HIS 120 Cb 0.17 -1.02 -0.10 0.00 1.12 0.00 0.00 29.99 30.17 1arm n HIS 120 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1arm n SER 121 N -2.81 1.87 0.00 0.41 2.88 0.19 -4.91 113.62 111.25 1arm n SER 121 Ca -0.13 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1arm n SER 121 Cb 0.88 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1arm n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1arm n GLN 122 N -4.43 2.77 -3.37 -1.46 1.13 0.56 -5.03 117.38 107.54 1arm n GLN 122 Ca -0.31 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.63 1arm n GLN 122 Cb 0.65 -0.88 -0.09 0.00 0.11 0.00 0.00 30.24 30.03 1arm n GLN 122 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1arm s ASN 123 N -2.65 0.56 0.54 1.08 3.84 -0.71 -5.00 114.94 112.60 1arm s ASN 123 Ca 0.00 -0.01 0.23 0.00 0.21 0.00 0.00 52.86 53.29 1arm s ASN 123 Cb 0.00 0.95 1.51 0.00 -0.55 0.00 0.00 41.25 43.16 1arm s ASN 123 CO 0.00 -0.32 2.17 -0.09 -2.79 0.00 0.00 177.10 176.07 1arm h ARG 124 N 8.21 0.00 -0.16 0.43 9.65 -1.81 -2.26 114.38 128.44 1arm h ARG 124 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1arm h ARG 124 Cb 1.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1arm h ARG 124 CO 0.28 0.03 0.00 1.28 2.80 0.00 0.00 179.97 184.36 1arm n LEU 125 N -4.12 2.07 -4.68 3.80 4.32 -1.26 -4.53 117.00 112.60 1arm n LEU 125 Ca -0.03 -0.82 -0.45 0.00 -0.02 0.00 0.00 56.01 54.69 1arm n LEU 125 Cb 0.12 -0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 1arm n LEU 125 CO 0.31 0.41 1.18 1.87 -1.22 0.00 0.00 177.39 179.94 1arm n TRP 126 N 0.59 2.37 -0.08 -1.77 -0.00 -0.85 -4.68 117.44 113.02 1arm n TRP 126 Ca 0.17 0.27 -0.11 0.00 -0.00 0.00 0.00 57.50 57.83 1arm n TRP 126 Cb 0.41 -2.55 -0.08 0.00 -0.00 0.00 0.00 31.31 29.09 1arm n TRP 126 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 1arm n ARG 127 N 3.08 0.65 -1.08 5.87 0.63 -1.26 -1.30 116.66 123.24 1arm n ARG 127 Ca 0.15 0.08 -0.16 0.00 -0.92 0.00 0.00 57.85 57.01 1arm n ARG 127 Cb 0.31 -1.35 0.11 0.00 0.45 0.00 0.00 32.46 31.98 1arm n ARG 127 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1arm n LYS 128 N -2.93 -0.63 0.00 -0.14 5.02 -1.26 -3.25 118.16 114.98 1arm n LYS 128 Ca -0.29 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.86 1arm n LYS 128 Cb 0.84 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1arm n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1arm n THR 129 N -2.93 0.00 -1.53 -0.18 -2.24 -0.12 -4.38 114.28 102.90 1arm n THR 129 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1arm n THR 129 Cb 0.31 -1.64 0.16 0.00 -2.10 0.00 0.00 70.33 67.06 1arm n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1arm n ARG 130 N -0.83 1.29 -2.17 -0.78 5.12 -1.26 -4.20 116.66 113.82 1arm n ARG 130 Ca 0.00 -2.87 -0.39 0.00 -1.93 0.00 0.00 57.85 52.65 1arm n ARG 130 Cb 0.00 -1.40 -0.02 0.00 -1.16 0.00 0.00 32.46 29.89 1arm n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1arm s SER 131 N -2.93 6.54 0.00 0.55 1.04 -1.26 -4.60 113.70 113.05 1arm s SER 131 Ca 0.34 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.30 1arm s SER 131 Cb 0.33 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1arm s SER 131 CO -0.04 -0.68 0.00 1.33 0.98 0.00 0.00 173.24 174.83 1arm n VAL 132 N 0.32 0.00 0.00 5.02 0.24 -1.26 0.52 118.33 123.17 1arm n VAL 132 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1arm n VAL 132 Cb 0.44 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1arm n VAL 132 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1arm n THR 133 N 0.00 0.00 0.01 3.34 -2.24 -1.26 -4.88 114.28 109.25 1arm n THR 133 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1arm n THR 133 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1arm n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1arm n SER 134 N 0.00 0.33 -0.59 3.42 7.64 -1.26 -4.85 113.62 118.31 1arm n SER 134 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1arm n SER 134 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1arm n SER 134 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1arm n SER 135 N -2.80 1.00 -3.52 6.43 7.64 -1.26 -4.79 113.62 116.32 1arm n SER 135 Ca -0.00 -1.48 -0.16 0.00 1.01 0.00 0.00 58.87 58.24 1arm n SER 135 Cb 0.02 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.79 1arm n SER 135 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1arm s SER 136 N -0.03 -0.61 0.00 6.43 0.15 -1.26 -5.01 113.70 113.37 1arm s SER 136 Ca 0.00 0.62 0.25 0.00 0.70 0.00 0.00 55.95 57.52 1arm s SER 136 Cb 0.00 0.51 0.48 0.00 -1.71 0.00 0.00 66.02 65.30 1arm s SER 136 CO 0.00 -0.60 1.39 0.18 1.20 0.00 0.00 173.24 175.41 1arm n LEU 137 N 0.78 0.74 -4.75 3.45 7.99 -1.26 -4.65 117.00 119.30 1arm n LEU 137 Ca -0.18 -0.14 -0.41 0.00 -0.01 0.00 0.00 56.01 55.27 1arm n LEU 137 Cb 0.58 -0.18 -0.04 0.00 -0.11 0.00 0.00 43.42 43.67 1arm n LEU 137 CO 0.22 0.16 0.83 0.00 -1.51 0.00 0.00 177.39 177.09 1arm s VAL 139 N -0.82 3.75 0.00 0.00 1.01 -1.26 -4.75 120.40 118.33 1arm s VAL 139 Ca 0.47 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1arm s VAL 139 Cb -0.33 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1arm s VAL 139 CO 0.41 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.67 1arm n GLY 140 N 2.06 1.63 3.23 4.51 0.00 0.19 -4.87 105.19 111.93 1arm n GLY 140 Ca -0.17 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 1arm n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1arm s VAL 141 N -2.46 1.49 -0.62 1.61 1.01 -1.26 -4.85 120.40 115.33 1arm s VAL 141 Ca 0.00 -1.29 -0.28 0.00 0.00 0.00 0.00 61.98 60.41 1arm s VAL 141 Cb 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1arm s VAL 141 CO 0.00 0.01 1.30 -0.62 0.00 0.00 0.00 175.10 175.79 1arm s ASP 142 N -1.50 6.24 0.34 3.32 -1.08 0.11 -0.95 116.67 123.15 1arm s ASP 142 Ca 0.05 0.01 0.23 0.00 -0.52 0.00 0.00 52.55 52.31 1arm s ASP 142 Cb -0.09 -2.55 1.24 0.00 -1.46 0.00 0.00 42.92 40.05 1arm s ASP 142 CO 0.03 -1.68 1.71 0.00 0.52 0.00 0.00 175.17 175.75 1arm h ALA 143 N 10.27 1.00 -0.53 3.66 0.00 -1.86 0.59 119.26 132.40 1arm h ALA 143 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1arm h ALA 143 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1arm h ALA 143 CO 1.21 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 178.75 1arm n ASN 144 N -2.31 4.82 0.00 0.00 5.15 -1.26 -3.26 115.26 118.39 1arm n ASN 144 Ca -0.01 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 1arm n ASN 144 Cb 0.05 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 1arm n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1arm n ARG 145 N 0.70 -0.48 -0.04 1.20 5.12 0.18 -3.39 116.66 119.95 1arm n ARG 145 Ca 0.24 -0.34 0.12 0.00 -1.93 0.00 0.00 57.85 55.94 1arm n ARG 145 Cb 0.98 -0.80 0.31 0.00 -1.16 0.00 0.00 32.46 31.79 1arm n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1arm n ASN 146 N -0.02 2.31 -4.92 0.55 4.05 -1.10 -4.41 115.26 111.72 1arm n ASN 146 Ca 0.00 -1.77 -0.27 0.00 0.45 0.00 0.00 54.58 52.99 1arm n ASN 146 Cb 0.11 -0.05 0.03 0.00 1.23 0.00 0.00 39.78 41.10 1arm n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1arm s TRP 147 N -1.89 3.24 -1.29 1.20 0.52 -0.43 0.46 118.94 120.76 1arm s TRP 147 Ca 0.34 0.64 -0.11 0.00 0.02 0.00 0.00 56.10 56.99 1arm s TRP 147 Cb 0.20 -2.75 0.15 0.00 -1.15 0.00 0.00 33.47 29.92 1arm s TRP 147 CO 0.31 -0.84 1.84 -3.47 0.02 0.00 0.00 176.95 174.81 1arm n ASP 148 N -2.60 4.98 -3.33 2.95 2.03 -1.26 -4.23 116.55 115.09 1arm n ASP 148 Ca 0.05 -3.06 -0.13 0.00 0.52 0.00 0.00 54.79 52.17 1arm n ASP 148 Cb 0.58 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.39 1arm n ASP 148 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1arm s ALA 149 N 0.97 -0.88 -1.44 -1.67 0.00 -1.26 -4.77 121.76 112.71 1arm s ALA 149 Ca 0.41 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1arm s ALA 149 Cb 0.08 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1arm s ALA 149 CO -0.00 -1.98 0.16 0.41 0.00 0.00 0.00 175.76 174.36 1arm n GLY 150 N 4.74 -0.34 3.64 0.00 0.00 -1.26 -0.59 105.19 111.38 1arm n GLY 150 Ca 0.06 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1arm n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1arm n PHE 151 N -4.11 1.83 -0.23 1.61 7.35 -1.26 -1.18 117.46 121.46 1arm n PHE 151 Ca -0.17 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1arm n PHE 151 Cb 0.64 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 38.11 1arm n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1arm n GLY 152 N 1.47 2.35 3.89 7.13 0.00 -1.26 -4.97 105.19 113.80 1arm n GLY 152 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1arm n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1arm s LYS 153 N -0.07 0.72 0.29 1.61 1.02 -0.33 -4.94 119.74 118.04 1arm s LYS 153 Ca 0.00 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 1arm s LYS 153 Cb 0.00 -1.84 -0.14 0.00 -0.52 0.00 0.00 37.83 35.33 1arm s LYS 153 CO 0.00 -2.38 1.16 0.00 -0.92 0.00 0.00 175.35 173.21 1arm n ALA 154 N -3.78 0.34 0.00 5.17 0.00 -1.26 -3.32 120.51 117.66 1arm n ALA 154 Ca 0.14 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1arm n ALA 154 Cb 0.60 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1arm n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1arm n GLY 155 N 1.30 1.38 3.34 0.00 0.00 -1.26 -3.75 105.19 106.20 1arm n GLY 155 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1arm n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1arm s ALA 156 N -2.00 -1.07 0.10 4.61 0.00 -1.21 -3.21 121.76 118.98 1arm s ALA 156 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1arm s ALA 156 Cb 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1arm s ALA 156 CO 0.00 -0.52 0.12 0.45 0.00 0.00 0.00 175.76 175.81 1arm s SER 157 N -2.22 5.69 0.00 0.00 0.15 -0.66 -4.94 113.70 111.72 1arm s SER 157 Ca -0.03 0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.86 1arm s SER 157 Cb -0.00 -1.57 0.21 0.00 -1.71 0.00 0.00 66.02 62.95 1arm s SER 157 CO -0.05 0.14 1.24 -1.54 1.20 0.00 0.00 173.24 174.23 1arm n SER 158 N 0.17 2.97 -4.67 5.45 3.41 -1.26 -1.65 113.62 118.04 1arm n SER 158 Ca -0.08 -1.96 -0.40 0.00 -0.26 0.00 0.00 58.87 56.18 1arm n SER 158 Cb 0.52 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 1arm n SER 158 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1arm s SER 159 N -1.84 6.71 0.54 4.04 0.15 -1.26 -4.94 113.70 117.10 1arm s SER 159 Ca 0.28 0.86 0.21 0.00 0.70 0.00 0.00 55.95 58.01 1arm s SER 159 Cb 0.19 -2.34 1.39 0.00 -1.71 0.00 0.00 66.02 63.55 1arm s SER 159 CO 0.29 -0.21 2.10 -0.65 1.20 0.00 0.00 173.24 175.97 1arm h PRO 160 N 7.29 0.00 -0.00 5.44 0.11 -1.94 -0.63 132.00 142.28 1arm h PRO 160 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1arm h PRO 160 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1arm h PRO 160 CO 0.77 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.44 1arm s SER 162 N -2.58 5.76 0.37 0.00 0.15 -0.24 -4.89 113.70 112.26 1arm s SER 162 Ca 0.26 2.11 0.27 0.00 0.70 0.00 0.00 55.95 59.29 1arm s SER 162 Cb 0.20 -2.57 1.13 0.00 -1.71 0.00 0.00 66.02 63.06 1arm s SER 162 CO 0.49 -1.19 1.82 -0.33 1.20 0.00 0.00 173.24 175.23 1arm h GLU 163 N 1.11 0.00 -0.27 5.44 4.39 -1.91 -2.76 114.58 120.58 1arm h GLU 163 Ca -0.49 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.07 1arm h GLU 163 Cb 1.25 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.82 1arm h GLU 163 CO 0.57 0.00 -0.17 0.25 -1.16 0.00 0.00 179.01 178.50 1arm n THR 164 N -2.56 2.46 -1.79 1.13 -2.24 -1.26 -4.55 114.28 105.48 1arm n THR 164 Ca 0.02 -2.82 -0.42 0.00 -2.27 0.00 0.00 64.05 58.55 1arm n THR 164 Cb 0.26 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1arm n THR 164 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1arm s TYR 165 N -3.23 2.92 -0.93 4.78 5.04 -1.04 -1.66 117.35 123.23 1arm s TYR 165 Ca 0.43 0.49 0.27 0.00 -2.44 0.00 0.00 57.07 55.81 1arm s TYR 165 Cb 0.39 -4.07 0.81 0.00 0.35 0.00 0.00 41.96 39.44 1arm s TYR 165 CO -0.01 -3.97 1.65 -2.39 -1.34 0.00 0.00 175.55 169.48 1arm n HIS 166 N 3.68 0.17 0.00 4.97 1.44 -0.66 0.06 115.22 124.87 1arm n HIS 166 Ca 0.14 0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1arm n HIS 166 Cb 0.36 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.00 1arm n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1arm n GLY 167 N 1.46 -0.72 0.22 -1.39 0.00 -1.26 -4.28 105.19 99.23 1arm n GLY 167 Ca 0.06 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1arm n GLY 167 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1arm h LYS 168 N 0.00 0.73 -3.43 1.61 2.10 -1.97 -3.47 116.57 112.14 1arm h LYS 168 Ca 0.00 -0.16 -0.04 0.00 -2.00 0.00 0.00 60.65 58.45 1arm h LYS 168 Cb 0.00 -0.11 -0.11 0.00 -0.90 0.00 0.00 32.23 31.11 1arm h LYS 168 CO 0.00 0.69 -0.06 1.52 -2.00 0.00 0.00 179.45 179.60 1arm s TYR 169 N -5.40 -0.06 0.28 0.07 -0.85 -1.26 -5.08 117.35 105.05 1arm s TYR 169 Ca -0.13 -0.28 -0.30 0.00 -0.52 0.00 0.00 57.07 55.85 1arm s TYR 169 Cb 0.11 0.27 -0.13 0.00 0.38 0.00 0.00 41.96 42.59 1arm s TYR 169 CO 0.78 -0.81 1.28 0.00 -1.52 0.00 0.00 175.55 175.28 1arm n ALA 170 N -0.28 0.86 -1.64 9.51 0.00 -1.26 -1.69 120.51 126.01 1arm n ALA 170 Ca -0.12 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 1arm n ALA 170 Cb 0.63 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 1arm n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1arm n ASN 171 N 1.48 -4.84 0.21 0.00 5.03 0.17 -4.89 115.26 112.43 1arm n ASN 171 Ca 0.09 0.30 0.08 0.00 0.87 0.00 0.00 54.58 55.92 1arm n ASN 171 Cb 0.33 -3.77 0.45 0.00 -1.02 0.00 0.00 39.78 35.77 1arm n ASN 171 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1arm h SER 172 N 0.00 0.00 -3.32 6.41 4.64 -1.56 -3.40 113.55 116.32 1arm h SER 172 Ca -0.33 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.42 1arm h SER 172 Cb 1.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 1arm h SER 172 CO 0.46 0.27 -0.02 -1.61 -0.87 0.00 0.00 176.83 175.06 1arm s GLU 173 N -3.74 4.35 0.38 4.77 0.41 -1.26 -4.93 118.70 118.68 1arm s GLU 173 Ca -0.00 0.70 0.05 0.00 -0.41 0.00 0.00 54.97 55.31 1arm s GLU 173 Cb 0.11 -3.39 0.75 0.00 -1.78 0.00 0.00 34.13 29.83 1arm s GLU 173 CO 0.65 0.25 2.01 -0.24 -0.49 0.00 0.00 175.26 177.45 1arm h VAL 174 N 4.40 1.14 0.00 2.63 3.04 -1.92 0.14 116.25 125.68 1arm h VAL 174 Ca -0.43 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1arm h VAL 174 Cb 1.20 0.51 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1arm h VAL 174 CO 0.72 0.15 -0.10 -0.33 -1.01 0.00 0.00 177.57 177.00 1arm h GLU 175 N 0.63 0.00 0.03 4.17 3.07 -1.90 -0.91 114.58 119.66 1arm h GLU 175 Ca 0.16 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.79 1arm h GLU 175 Cb -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1arm h GLU 175 CO -0.03 0.10 -1.27 0.28 -1.40 0.00 0.00 179.01 176.69 1arm h VAL 176 N 0.00 0.96 -0.91 3.13 2.07 -1.47 -3.34 116.25 116.69 1arm h VAL 176 Ca -0.00 -2.23 0.12 0.00 0.82 0.00 0.00 66.70 65.41 1arm h VAL 176 Cb 0.20 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 1arm h VAL 176 CO 0.01 0.44 0.59 0.50 0.02 0.00 0.00 177.57 179.13 1arm h LYS 177 N -0.80 0.81 -0.81 1.57 1.63 -0.68 -0.12 116.57 118.17 1arm h LYS 177 Ca -0.33 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.43 1arm h LYS 177 Cb 1.42 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.82 1arm h LYS 177 CO -0.13 0.53 0.53 0.77 -3.45 0.00 0.00 179.45 177.71 1arm h SER 178 N 0.83 0.92 0.04 4.20 0.02 -1.31 0.11 113.55 118.36 1arm h SER 178 Ca 0.45 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.22 1arm h SER 178 Cb 0.55 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1arm h SER 178 CO -0.21 0.66 -0.63 0.40 -1.14 0.00 0.00 176.83 175.91 1arm h ILE 179 N 1.08 1.46 -0.22 3.27 2.04 -1.19 -2.78 117.51 121.17 1arm h ILE 179 Ca 0.30 -2.20 0.06 0.00 1.00 0.00 0.00 64.86 64.01 1arm h ILE 179 Cb -0.11 2.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.69 1arm h ILE 179 CO -0.07 0.63 -0.30 0.58 0.00 0.00 0.00 178.15 179.00 1arm h VAL 180 N -0.22 0.31 -0.65 1.67 2.07 -0.80 -0.36 116.25 118.27 1arm h VAL 180 Ca -0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1arm h VAL 180 Cb 1.38 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1arm h VAL 180 CO 0.12 0.00 0.22 0.44 0.02 0.00 0.00 177.57 178.37 1arm h ASP 181 N -0.32 0.91 -0.47 0.57 3.32 -0.87 -0.60 116.42 118.96 1arm h ASP 181 Ca 0.12 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1arm h ASP 181 Cb 0.52 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1arm h ASP 181 CO -0.40 0.84 0.21 0.15 -1.72 0.00 0.00 179.24 178.32 1arm h PHE 182 N 0.95 0.69 -0.31 4.55 3.57 -1.13 -0.19 116.94 125.08 1arm h PHE 182 Ca 0.22 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1arm h PHE 182 Cb 0.25 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1arm h PHE 182 CO 0.02 0.57 -0.19 0.28 -2.23 0.00 0.00 178.31 176.76 1arm h VAL 183 N 0.61 1.30 -0.53 1.41 2.07 -0.85 -1.65 116.25 118.61 1arm h VAL 183 Ca 0.16 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1arm h VAL 183 Cb 0.15 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1arm h VAL 183 CO -0.02 0.42 0.22 0.11 0.02 0.00 0.00 177.57 178.32 1arm h LYS 184 N 0.42 0.78 -0.35 1.57 1.57 -1.04 -1.50 116.57 118.03 1arm h LYS 184 Ca 0.06 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1arm h LYS 184 Cb 0.73 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1arm h LYS 184 CO 0.05 0.68 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.11 1arm h ASP 185 N 0.71 0.54 -0.22 0.86 3.32 -0.96 -3.09 116.42 117.59 1arm h ASP 185 Ca 0.18 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 1arm h ASP 185 Cb 0.18 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1arm h ASP 185 CO -0.02 0.66 -0.53 -0.74 -1.72 0.00 0.00 179.24 176.89 1arm h HIS 186 N 0.53 0.95 0.00 4.55 2.76 -1.03 -3.47 115.15 119.45 1arm h HIS 186 Ca 0.10 -0.36 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 1arm h HIS 186 Cb 0.44 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1arm h HIS 186 CO 0.02 1.16 0.00 0.41 -1.30 0.00 0.00 177.93 178.22 1arm n GLY 187 N 0.47 0.00 1.71 5.26 0.00 -0.59 -4.80 105.19 107.25 1arm n GLY 187 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1arm n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1arm n ASN 188 N -0.39 3.39 -4.73 1.61 5.15 -1.26 -5.04 115.26 113.99 1arm n ASN 188 Ca 0.00 -3.46 -0.41 0.00 -0.60 0.00 0.00 54.58 50.11 1arm n ASN 188 Cb 0.29 -0.41 -0.05 0.00 -0.53 0.00 0.00 39.78 39.09 1arm n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1arm s PHE 189 N -3.30 3.81 -0.02 1.20 0.08 -1.26 -1.31 117.98 117.17 1arm s PHE 189 Ca 0.43 1.74 0.09 0.00 0.12 0.00 0.00 56.93 59.32 1arm s PHE 189 Cb 0.39 -3.00 -0.14 0.00 -0.57 0.00 0.00 43.02 39.69 1arm s PHE 189 CO -0.01 0.24 0.19 1.63 -0.10 0.00 0.00 175.22 177.17 1arm n LYS 190 N 2.71 0.47 -3.97 0.44 4.76 0.10 -4.73 118.16 117.94 1arm n LYS 190 Ca 0.01 -0.08 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 1arm n LYS 190 Cb 0.49 -1.22 -0.12 0.00 -1.84 0.00 0.00 35.03 32.34 1arm n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1arm s ALA 191 N -2.62 0.15 -0.19 7.82 0.00 -1.15 -2.96 121.76 122.81 1arm s ALA 191 Ca -0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1arm s ALA 191 Cb 0.06 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1arm s ALA 191 CO 0.39 -0.09 0.09 0.12 0.00 0.00 0.00 175.76 176.27 1arm s PHE 192 N -1.03 0.27 -0.16 0.00 2.19 -0.35 -1.07 117.98 117.83 1arm s PHE 192 Ca -0.11 -0.43 -0.03 0.00 0.33 0.00 0.00 56.93 56.70 1arm s PHE 192 Cb -0.07 -0.75 -0.02 0.00 -1.31 0.00 0.00 43.02 40.87 1arm s PHE 192 CO -0.01 -0.56 -0.06 -0.51 1.83 0.00 0.00 175.22 175.91 1arm s LEU 193 N 2.11 3.05 -0.12 6.12 1.02 -0.08 -1.76 118.68 129.02 1arm s LEU 193 Ca 0.03 -0.22 0.03 0.00 0.02 0.00 0.00 54.13 53.99 1arm s LEU 193 Cb -0.16 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.33 1arm s LEU 193 CO -0.13 0.14 -0.23 -0.55 0.02 0.00 0.00 176.35 175.60 1arm s SER 194 N 0.52 3.11 -0.14 2.29 0.15 -0.51 -1.46 113.70 117.66 1arm s SER 194 Ca -0.05 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 55.99 1arm s SER 194 Cb -0.15 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.70 1arm s SER 194 CO 0.03 0.12 -0.02 -0.63 1.20 0.00 0.00 173.24 173.94 1arm s ILE 195 N 0.58 4.09 0.34 6.45 -1.09 0.10 -1.18 121.20 130.50 1arm s ILE 195 Ca -0.13 -0.30 0.06 0.00 -2.23 0.00 0.00 60.65 58.06 1arm s ILE 195 Cb -0.17 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.91 1arm s ILE 195 CO 0.03 0.51 0.23 1.41 -1.23 0.00 0.00 174.94 175.90 1arm n HIS 196 N 3.23 -0.49 -3.84 3.97 8.25 0.63 -3.56 115.22 123.41 1arm n HIS 196 Ca -0.17 -2.66 -0.10 0.00 -0.26 0.00 0.00 57.72 54.53 1arm n HIS 196 Cb 0.53 0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.78 1arm n HIS 196 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1arm s SER 197 N -3.31 -0.11 0.38 0.41 1.04 -1.26 -0.23 113.70 110.62 1arm s SER 197 Ca 0.33 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 56.18 1arm s SER 197 Cb 0.02 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 1arm s SER 197 CO 0.23 -0.96 0.06 -0.72 0.98 0.00 0.00 173.24 172.83 1arm s TYR 198 N -3.91 2.55 0.00 5.02 1.13 -1.26 -4.90 117.35 115.98 1arm s TYR 198 Ca 0.13 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1arm s TYR 198 Cb 0.01 -1.70 0.00 0.00 -1.10 0.00 0.00 41.96 39.17 1arm s TYR 198 CO -0.02 0.38 0.00 0.43 -2.51 0.00 0.00 175.55 173.83 1arm n SER 199 N -1.04 0.00 -3.23 -0.18 7.64 -0.65 -4.86 113.62 111.30 1arm n SER 199 Ca -0.03 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.72 1arm n SER 199 Cb 0.64 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.90 1arm n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1arm n GLN 200 N 0.00 -2.09 -4.19 1.43 6.02 -0.50 -4.83 117.38 113.22 1arm n GLN 200 Ca 0.00 0.96 -0.17 0.00 -0.01 0.00 0.00 57.00 57.78 1arm n GLN 200 Cb 0.00 -5.81 -0.11 0.00 1.02 0.00 0.00 30.24 25.34 1arm n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1arm s LEU 201 N -5.19 2.34 -0.22 1.08 1.43 -0.81 -1.90 118.68 115.42 1arm s LEU 201 Ca 0.39 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1arm s LEU 201 Cb -0.05 -0.46 0.06 0.00 0.03 0.00 0.00 46.19 45.77 1arm s LEU 201 CO 0.74 -0.15 -0.02 -0.22 0.23 0.00 0.00 176.35 176.93 1arm s LEU 202 N -2.11 2.01 0.05 1.79 2.96 -0.39 -0.77 118.68 122.21 1arm s LEU 202 Ca 0.03 -1.01 0.06 0.00 -0.22 0.00 0.00 54.13 52.98 1arm s LEU 202 Cb -0.07 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1arm s LEU 202 CO 0.02 -0.26 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.92 1arm s LEU 203 N 1.58 2.96 0.35 -0.68 1.43 -0.47 -2.35 118.68 121.49 1arm s LEU 203 Ca -0.04 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1arm s LEU 203 Cb -0.18 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 1arm s LEU 203 CO -0.07 0.24 0.04 -0.72 0.23 0.00 0.00 176.35 176.08 1arm s TYR 204 N -1.04 2.13 0.70 0.29 -0.85 -0.79 -1.26 117.35 116.52 1arm s TYR 204 Ca 0.18 -0.87 -0.11 0.00 -0.52 0.00 0.00 57.07 55.75 1arm s TYR 204 Cb -0.11 -1.43 0.01 0.00 0.38 0.00 0.00 41.96 40.81 1arm s TYR 204 CO 0.09 0.14 1.06 -2.14 -1.52 0.00 0.00 175.55 173.18 1arm s PRO 205 N -3.84 2.88 0.37 -3.49 0.02 -1.26 -0.79 135.00 128.89 1arm s PRO 205 Ca 0.36 0.99 0.08 0.00 0.02 0.00 0.00 61.00 62.45 1arm s PRO 205 Cb 0.09 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 1arm s PRO 205 CO 0.16 -1.15 0.13 0.71 -0.33 0.00 0.00 177.00 176.52 1arm s TYR 206 N -3.01 2.63 -0.10 6.54 2.02 -1.26 -4.56 117.35 119.60 1arm s TYR 206 Ca 0.59 -0.48 0.12 0.00 -0.37 0.00 0.00 57.07 56.93 1arm s TYR 206 Cb -0.14 -1.73 -0.18 0.00 -0.40 0.00 0.00 41.96 39.51 1arm s TYR 206 CO 0.54 0.31 0.11 0.41 -1.57 0.00 0.00 175.55 175.36 1arm n GLY 207 N -1.14 -0.65 0.08 0.71 0.00 -1.26 -1.82 105.19 101.11 1arm n GLY 207 Ca -0.02 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1arm n GLY 207 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1arm h TYR 208 N 0.00 0.00 -3.76 1.61 -0.00 -1.61 -1.32 116.97 111.89 1arm h TYR 208 Ca -0.27 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.29 1arm h TYR 208 Cb 1.51 0.00 -0.23 0.00 -0.00 0.00 0.00 36.73 38.02 1arm h TYR 208 CO 0.00 0.00 -0.64 -0.08 -0.00 0.00 0.00 178.16 177.44 1arm s THR 209 N -3.16 0.07 -0.27 -0.90 -1.32 -1.26 -4.90 115.64 103.89 1arm s THR 209 Ca 0.07 -0.60 0.27 0.00 -1.21 0.00 0.00 61.69 60.22 1arm s THR 209 Cb 0.13 -0.26 0.31 0.00 -1.51 0.00 0.00 72.50 71.17 1arm s THR 209 CO 0.69 -0.33 1.81 0.71 -2.21 0.00 0.00 174.62 175.30 1arm h THR 210 N 4.67 0.00 -2.17 5.08 1.35 -1.92 -3.43 112.91 116.49 1arm h THR 210 Ca -0.30 -0.36 -0.61 0.00 -0.55 0.00 0.00 66.41 64.59 1arm h THR 210 Cb 1.20 1.21 0.06 0.00 -1.73 0.00 0.00 68.15 68.90 1arm h THR 210 CO 0.43 0.00 0.67 1.67 -0.25 0.00 0.00 175.52 178.04 1arm n GLN 211 N -2.57 1.86 -2.53 4.72 7.27 -1.26 -4.96 117.38 119.90 1arm n GLN 211 Ca 0.02 0.67 -0.40 0.00 0.07 0.00 0.00 57.00 57.35 1arm n GLN 211 Cb 0.27 -2.38 -0.05 0.00 2.41 0.00 0.00 30.24 30.50 1arm n GLN 211 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1arm s SER 212 N 0.69 7.32 0.65 1.69 0.01 -1.26 -4.62 113.70 118.18 1arm s SER 212 Ca 0.79 2.21 -0.15 0.00 1.31 0.00 0.00 55.95 60.11 1arm s SER 212 Cb -0.75 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 62.85 1arm s SER 212 CO 0.42 -0.10 1.09 0.27 0.41 0.00 0.00 173.24 175.33 1arm s ILE 213 N -1.18 3.49 0.16 1.44 -4.36 -1.26 -4.91 121.20 114.57 1arm s ILE 213 Ca 0.44 0.66 0.32 0.00 -0.26 0.00 0.00 60.65 61.81 1arm s ILE 213 Cb -0.31 -3.20 0.35 0.00 1.25 0.00 0.00 42.46 40.56 1arm s ILE 213 CO 0.39 -0.46 1.97 -0.65 0.24 0.00 0.00 174.94 176.44 1arm h PRO 214 N 0.00 0.00 -0.70 0.37 0.11 -1.99 -2.69 132.00 127.11 1arm h PRO 214 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 1arm h PRO 214 Cb 1.23 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 1arm h PRO 214 CO 0.55 0.06 0.21 -0.25 -0.21 0.00 0.00 178.00 178.36 1arm n ASP 215 N -3.19 5.03 -0.31 -2.05 8.00 -1.26 -4.66 116.55 118.10 1arm n ASP 215 Ca 0.00 -3.17 0.04 0.00 0.71 0.00 0.00 54.79 52.37 1arm n ASP 215 Cb 0.32 -0.73 0.19 0.00 -0.02 0.00 0.00 41.12 40.87 1arm n ASP 215 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1arm h LYS 216 N 2.94 0.82 -0.18 -1.24 3.11 -1.86 -2.12 116.57 118.05 1arm h LYS 216 Ca 0.21 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 58.01 1arm h LYS 216 Cb 2.27 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 33.30 1arm h LYS 216 CO 0.69 0.54 0.11 1.15 -2.81 0.00 0.00 179.45 179.13 1arm h THR 217 N 0.85 1.03 -0.21 1.00 2.02 -1.88 -2.01 112.91 113.70 1arm h THR 217 Ca 0.43 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.53 1arm h THR 217 Cb 0.40 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1arm h THR 217 CO -0.25 0.04 0.12 -0.08 0.37 0.00 0.00 175.52 175.71 1arm h GLU 218 N 0.22 0.30 -0.31 6.66 4.81 -1.85 -1.50 114.58 122.92 1arm h GLU 218 Ca 0.07 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1arm h GLU 218 Cb -0.01 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1arm h GLU 218 CO -0.03 0.28 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.35 1arm h LEU 219 N 0.24 0.52 -0.61 1.64 4.07 -1.36 0.37 115.31 120.17 1arm h LEU 219 Ca 0.08 -0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.79 1arm h LEU 219 Cb 0.07 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1arm h LEU 219 CO -0.01 0.67 -0.08 -1.13 -1.08 0.00 0.00 178.44 176.81 1arm h ASN 220 N 0.49 1.02 -0.02 -0.43 -0.73 -1.20 0.43 115.58 115.14 1arm h ASN 220 Ca 0.09 -0.32 -0.09 0.00 1.87 0.00 0.00 56.30 57.85 1arm h ASN 220 Cb 0.50 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 1arm h ASN 220 CO 0.03 1.11 -0.25 -0.61 -0.37 0.00 0.00 177.43 177.34 1arm h GLN 221 N 0.92 0.43 -0.20 6.67 5.75 -0.34 -0.81 115.11 127.53 1arm h GLN 221 Ca 0.15 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1arm h GLN 221 Cb 0.64 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1arm h GLN 221 CO 0.04 0.65 0.04 0.28 -2.65 0.00 0.00 178.83 177.19 1arm h VAL 222 N 0.38 1.22 -0.77 2.39 2.07 -0.27 -1.23 116.25 120.04 1arm h VAL 222 Ca 0.06 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1arm h VAL 222 Cb 0.64 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1arm h VAL 222 CO 0.05 0.22 0.37 0.00 0.02 0.00 0.00 177.57 178.23 1arm h ALA 223 N 0.84 1.21 -0.70 1.67 0.00 0.14 0.35 119.26 122.77 1arm h ALA 223 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1arm h ALA 223 Cb 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1arm h ALA 223 CO 0.00 0.61 0.41 -0.22 0.00 0.00 0.00 179.25 180.05 1arm h LYS 224 N 1.09 0.97 -0.59 0.00 3.64 -0.85 0.05 116.57 120.87 1arm h LYS 224 Ca 0.27 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1arm h LYS 224 Cb 0.10 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1arm h LYS 224 CO -0.03 0.70 0.04 0.77 -2.27 0.00 0.00 179.45 178.66 1arm h SER 225 N 0.96 0.96 -0.29 4.20 0.02 -0.50 -1.03 113.55 117.88 1arm h SER 225 Ca 0.25 -0.24 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1arm h SER 225 Cb -0.01 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1arm h SER 225 CO -0.04 0.99 -0.32 0.00 -1.14 0.00 0.00 176.83 176.31 1arm h ALA 226 N 1.11 0.74 -0.44 3.77 0.00 -0.45 -1.41 119.26 122.58 1arm h ALA 226 Ca 0.18 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1arm h ALA 226 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1arm h ALA 226 CO 0.02 0.66 0.04 0.28 0.00 0.00 0.00 179.25 180.24 1arm h VAL 227 N 0.68 1.22 -0.56 0.00 2.07 -0.73 0.61 116.25 119.54 1arm h VAL 227 Ca 0.07 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1arm h VAL 227 Cb 0.87 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1arm h VAL 227 CO 0.08 0.30 0.09 0.00 0.02 0.00 0.00 177.57 178.06 1arm h ALA 228 N 1.39 0.74 -0.25 1.67 0.00 -0.75 -1.20 119.26 120.86 1arm h ALA 228 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1arm h ALA 228 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1arm h ALA 228 CO 0.01 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.83 1arm h ALA 229 N 1.00 0.33 -0.54 0.00 0.00 -0.85 -2.81 119.26 116.39 1arm h ALA 229 Ca 0.17 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1arm h ALA 229 Cb 0.42 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1arm h ALA 229 CO 0.01 -0.05 0.31 1.25 0.00 0.00 0.00 179.25 180.78 1arm h LEU 230 N 0.24 0.50 -1.99 0.00 6.46 -0.71 -2.21 115.31 117.61 1arm h LEU 230 Ca 0.08 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1arm h LEU 230 Cb 0.24 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1arm h LEU 230 CO -0.00 0.35 -0.09 0.50 -0.62 0.00 0.00 178.44 178.58 1arm h LYS 231 N 0.62 0.00 -0.67 1.25 3.64 -1.12 -3.29 116.57 117.00 1arm h LYS 231 Ca 0.22 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.79 1arm h LYS 231 Cb 0.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1arm h LYS 231 CO -0.11 0.09 0.48 0.66 -2.27 0.00 0.00 179.45 178.30 1arm h SER 232 N 0.00 0.01 0.00 4.20 4.64 -1.13 0.26 113.55 121.53 1arm h SER 232 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1arm h SER 232 Cb 0.19 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1arm h SER 232 CO 0.01 0.00 -0.70 -0.07 -0.87 0.00 0.00 176.83 175.21 1arm h LEU 233 N 0.01 0.00 -0.83 5.97 3.38 -1.74 -3.42 115.31 118.67 1arm h LEU 233 Ca 0.32 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1arm h LEU 233 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1arm h LEU 233 CO -0.01 1.23 0.00 -1.22 0.09 0.00 0.00 178.44 178.54 1arm n TYR 234 N -4.52 0.00 -0.76 1.13 4.01 -1.21 -5.01 117.16 110.79 1arm n TYR 234 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1arm n TYR 234 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1arm n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1arm n GLY 235 N 0.08 0.58 3.68 2.72 0.00 0.92 -4.99 105.19 108.17 1arm n GLY 235 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1arm n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1arm s THR 236 N -2.00 3.47 -0.23 2.61 2.01 -1.25 -4.97 115.64 115.28 1arm s THR 236 Ca 0.00 0.79 -0.14 0.00 0.31 0.00 0.00 61.69 62.64 1arm s THR 236 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1arm s THR 236 CO 0.00 -0.03 0.33 -0.44 -0.69 0.00 0.00 174.62 173.79 1arm s SER 237 N 2.53 6.31 0.10 3.53 0.01 -1.26 -3.97 113.70 120.94 1arm s SER 237 Ca 0.70 0.35 0.08 0.00 1.31 0.00 0.00 55.95 58.39 1arm s SER 237 Cb -0.34 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1arm s SER 237 CO 0.29 -0.07 -0.14 -0.31 0.41 0.00 0.00 173.24 173.42 1arm s TYR 238 N 1.45 2.64 0.32 2.43 1.51 -1.26 -4.87 117.35 119.57 1arm s TYR 238 Ca 0.15 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1arm s TYR 238 Cb -0.15 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1arm s TYR 238 CO 0.08 0.40 0.38 0.15 -1.11 0.00 0.00 175.55 175.44 1arm s LYS 239 N -2.11 3.01 0.09 -0.62 3.01 -0.80 -4.95 119.74 117.37 1arm s LYS 239 Ca 0.19 -1.08 -0.07 0.00 -1.01 0.00 0.00 55.97 54.01 1arm s LYS 239 Cb -0.11 -2.70 -0.01 0.00 -1.01 0.00 0.00 37.83 34.00 1arm s LYS 239 CO 0.11 0.14 0.15 1.52 0.51 0.00 0.00 175.35 177.78 1arm s TYR 240 N -2.19 0.29 -5.00 3.18 1.13 -1.26 -1.27 117.35 112.24 1arm s TYR 240 Ca 0.42 -0.74 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 1arm s TYR 240 Cb -0.08 -0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.63 1arm s TYR 240 CO 0.29 -0.53 0.00 0.41 -2.51 0.00 0.00 175.55 173.21 1arm n GLY 241 N -0.05 -1.85 3.80 5.49 0.00 -0.99 -4.98 105.19 106.61 1arm n GLY 241 Ca -0.13 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1arm n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1arm s SER 242 N -2.46 6.40 0.16 1.61 1.04 -1.26 -1.89 113.70 117.30 1arm s SER 242 Ca 0.00 1.93 -0.23 0.00 0.48 0.00 0.00 55.95 58.13 1arm s SER 242 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1arm s SER 242 CO 0.00 -0.74 1.61 0.40 0.98 0.00 0.00 173.24 175.49 1arm h ILE 243 N 1.62 0.30 -0.64 -1.02 2.04 -1.02 -0.10 117.51 118.68 1arm h ILE 243 Ca -0.49 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1arm h ILE 243 Cb 1.22 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1arm h ILE 243 CO 0.59 0.00 0.20 -0.29 0.00 0.00 0.00 178.15 178.66 1arm h ILE 244 N -0.25 1.24 0.00 -0.67 2.10 -1.49 0.15 117.51 118.59 1arm h ILE 244 Ca 0.16 -0.82 -0.10 0.00 1.08 0.00 0.00 64.86 65.19 1arm h ILE 244 Cb 0.51 0.53 -0.01 0.00 -1.09 0.00 0.00 36.82 36.75 1arm h ILE 244 CO -0.47 0.32 -0.45 0.71 -1.08 0.00 0.00 178.15 177.17 1arm h THR 245 N 0.94 0.83 0.08 2.19 1.35 -1.76 -3.28 112.91 113.26 1arm h THR 245 Ca 0.21 -2.00 -0.36 0.00 -0.55 0.00 0.00 66.41 63.71 1arm h THR 245 Cb 0.26 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 68.94 1arm h THR 245 CO -0.01 0.44 -2.03 0.41 -0.25 0.00 0.00 175.52 174.08 1arm n THR 246 N -3.29 1.70 0.00 6.82 -1.04 -0.08 -4.90 114.28 113.49 1arm n THR 246 Ca 0.01 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1arm n THR 246 Cb 0.67 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 1arm n THR 246 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1arm n ILE 247 N -3.35 0.00 -3.78 12.58 5.41 0.02 -5.08 119.36 125.16 1arm n ILE 247 Ca -0.31 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.41 1arm n ILE 247 Cb 1.04 -0.52 -0.00 0.00 -0.71 0.00 0.00 39.64 39.46 1arm n ILE 247 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1arm s TYR 248 N 0.00 -0.04 0.27 1.39 -0.85 -1.15 -4.99 117.35 111.97 1arm s TYR 248 Ca 0.00 -0.26 -0.29 0.00 -0.52 0.00 0.00 57.07 56.00 1arm s TYR 248 Cb 0.00 0.64 -0.10 0.00 0.38 0.00 0.00 41.96 42.89 1arm s TYR 248 CO 0.00 -0.76 1.31 -1.14 -1.52 0.00 0.00 175.55 173.44 1arm s GLN 249 N -2.75 4.38 -0.17 -3.49 0.74 -1.26 -3.97 119.66 113.14 1arm s GLN 249 Ca 0.16 2.14 -0.08 0.00 0.05 0.00 0.00 55.36 57.63 1arm s GLN 249 Cb -0.01 -3.13 0.06 0.00 1.10 0.00 0.00 33.01 31.04 1arm s GLN 249 CO 0.02 -0.21 0.39 0.00 -0.55 0.00 0.00 175.29 174.94 1arm s ALA 250 N -0.56 -0.99 0.28 1.58 0.00 -0.50 -4.48 121.76 117.09 1arm s ALA 250 Ca 0.53 1.44 0.09 0.00 0.00 0.00 0.00 51.96 54.02 1arm s ALA 250 Cb -0.38 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1arm s ALA 250 CO 0.46 -0.37 0.06 -1.54 0.00 0.00 0.00 175.76 174.36 1arm s SER 251 N 1.67 4.72 -0.77 0.00 1.04 -1.20 -1.52 113.70 117.64 1arm s SER 251 Ca -0.08 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1arm s SER 251 Cb -0.09 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1arm s SER 251 CO -0.12 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1arm n GLY 252 N -0.99 0.31 3.89 7.32 0.00 0.24 -4.41 105.19 111.56 1arm n GLY 252 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1arm n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1arm s GLY 253 N -2.71 1.95 0.18 -0.02 0.00 -1.22 -1.31 107.32 104.20 1arm s GLY 253 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.19 1arm s GLY 253 CO 0.00 -0.28 1.76 1.48 0.00 0.00 0.00 173.10 176.06 1arm h SER 254 N 1.71 0.85 0.91 1.64 4.64 -1.91 -2.48 113.55 118.92 1arm h SER 254 Ca -0.47 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.66 1arm h SER 254 Cb 1.19 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1arm h SER 254 CO 0.66 0.76 -0.22 0.16 -0.87 0.00 0.00 176.83 177.32 1arm h ILE 255 N 0.89 0.55 -0.35 0.95 3.07 -1.94 -1.05 117.51 119.62 1arm h ILE 255 Ca 0.22 -1.09 -0.11 0.00 1.55 0.00 0.00 64.86 65.42 1arm h ILE 255 Cb 0.14 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.44 1arm h ILE 255 CO -0.02 0.21 -0.23 0.44 -1.05 0.00 0.00 178.15 177.50 1arm h ASP 256 N 0.00 0.81 0.18 2.16 5.19 -1.90 -0.72 116.42 122.13 1arm h ASP 256 Ca -0.00 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 1arm h ASP 256 Cb 0.73 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1arm h ASP 256 CO 0.03 1.06 -0.09 -0.25 -3.12 0.00 0.00 179.24 176.88 1arm h TRP 257 N 0.55 -0.22 -0.63 4.55 7.01 -1.05 -1.69 115.95 124.47 1arm h TRP 257 Ca 0.07 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 1arm h TRP 257 Cb 0.79 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 1arm h TRP 257 CO 0.06 -0.04 0.22 0.66 -2.79 0.00 0.00 178.44 176.55 1arm h SER 258 N -0.35 0.86 -0.61 2.65 4.64 -1.16 -1.23 113.55 118.35 1arm h SER 258 Ca -0.02 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 1arm h SER 258 Cb 0.28 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1arm h SER 258 CO 0.04 0.79 0.18 0.22 -0.87 0.00 0.00 176.83 177.20 1arm h TYR 259 N 0.91 0.99 0.00 4.77 3.20 -1.04 -1.58 116.97 124.22 1arm h TYR 259 Ca 0.21 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1arm h TYR 259 Cb 0.23 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1arm h TYR 259 CO 0.02 0.82 0.00 0.09 -1.64 0.00 0.00 178.16 177.45 1arm n ASN 260 N -4.38 0.09 -0.35 -2.11 3.02 -0.60 -0.96 115.26 109.95 1arm n ASN 260 Ca 0.03 0.52 0.14 0.00 -0.03 0.00 0.00 54.58 55.24 1arm n ASN 260 Cb 0.22 -0.54 0.49 0.00 -0.61 0.00 0.00 39.78 39.33 1arm n ASN 260 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1arm n GLN 261 N -1.60 1.28 -0.19 3.52 1.13 -0.57 -4.93 117.38 116.01 1arm n GLN 261 Ca 0.03 -0.71 0.00 0.00 -1.94 0.00 0.00 57.00 54.38 1arm n GLN 261 Cb 0.18 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1arm n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1arm n GLY 262 N 1.24 0.83 3.46 1.08 0.00 -0.14 -5.02 105.19 106.64 1arm n GLY 262 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1arm n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1arm s ILE 263 N -2.10 4.57 0.12 -0.61 1.01 -0.84 -4.89 121.20 118.47 1arm s ILE 263 Ca 0.00 -1.32 -0.21 0.00 0.00 0.00 0.00 60.65 59.13 1arm s ILE 263 Cb 0.00 -4.80 -0.04 0.00 0.01 0.00 0.00 42.46 37.63 1arm s ILE 263 CO 0.00 -1.55 1.70 0.50 0.00 0.00 0.00 174.94 175.58 1arm h LYS 264 N 9.05 -0.05 -4.70 2.79 3.64 -1.85 -3.30 116.57 122.16 1arm h LYS 264 Ca 0.10 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.77 1arm h LYS 264 Cb 1.03 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.75 1arm h LYS 264 CO 1.16 -0.03 2.21 0.66 -2.27 0.00 0.00 179.45 181.18 1arm n TYR 265 N -5.21 4.14 -3.77 1.91 4.01 -1.16 -4.92 117.16 112.16 1arm n TYR 265 Ca -0.03 -2.99 -0.37 0.00 -0.16 0.00 0.00 57.90 54.36 1arm n TYR 265 Cb 0.14 -2.39 -0.13 0.00 -0.31 0.00 0.00 39.34 36.65 1arm n TYR 265 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1arm s SER 266 N 3.02 5.03 0.03 7.72 0.01 -1.24 -1.21 113.70 127.06 1arm s SER 266 Ca 0.47 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.30 1arm s SER 266 Cb 0.06 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 1arm s SER 266 CO 0.01 -0.09 -0.00 -0.36 0.41 0.00 0.00 173.24 173.20 1arm s PHE 267 N 1.56 0.32 -0.07 2.43 0.40 -0.72 -4.35 117.98 117.56 1arm s PHE 267 Ca 0.05 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.74 1arm s PHE 267 Cb -0.16 -0.24 -0.02 0.00 0.51 0.00 0.00 43.02 43.12 1arm s PHE 267 CO 0.02 -0.29 -0.19 0.99 0.70 0.00 0.00 175.22 176.45 1arm s THR 268 N -2.47 2.59 -0.05 0.64 2.01 -0.39 -1.42 115.64 116.55 1arm s THR 268 Ca -0.06 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1arm s THR 268 Cb -0.02 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1arm s THR 268 CO -0.04 0.57 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.03 1arm s PHE 269 N -0.26 2.95 -0.33 4.92 0.40 -0.33 -1.37 117.98 123.96 1arm s PHE 269 Ca 0.00 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1arm s PHE 269 Cb -0.13 -1.69 0.08 0.00 0.51 0.00 0.00 43.02 41.78 1arm s PHE 269 CO 0.03 0.36 0.06 -1.21 0.70 0.00 0.00 175.22 175.15 1arm s GLU 270 N -0.97 2.14 0.06 0.44 0.41 0.05 -0.27 118.70 120.56 1arm s GLU 270 Ca 0.14 -1.53 -0.01 0.00 -0.41 0.00 0.00 54.97 53.16 1arm s GLU 270 Cb -0.11 -3.27 0.02 0.00 -1.78 0.00 0.00 34.13 28.98 1arm s GLU 270 CO 0.03 -0.79 0.06 1.28 -0.49 0.00 0.00 175.26 175.35 1arm n LEU 271 N 4.54 0.00 -4.68 1.80 4.77 0.68 -1.41 117.00 122.70 1arm n LEU 271 Ca -0.07 -0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 55.53 1arm n LEU 271 Cb 0.42 -0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.62 1arm n LEU 271 CO 0.27 -0.91 0.67 -0.13 -1.33 0.00 0.00 177.39 175.96 1arm s ARG 272 N -3.15 1.11 0.00 3.23 0.52 -1.26 -1.88 118.95 117.53 1arm s ARG 272 Ca 0.04 1.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.63 1arm s ARG 272 Cb -0.00 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1arm s ARG 272 CO 0.03 -2.51 0.00 -0.40 0.02 0.00 0.00 175.30 172.44 1arm n ASP 273 N -4.13 0.00 -0.85 0.23 5.68 -1.26 -4.66 116.55 111.55 1arm n ASP 273 Ca 0.10 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.47 1arm n ASP 273 Cb 0.53 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.70 1arm n ASP 273 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1arm n THR 274 N 0.00 0.96 0.00 2.12 -2.24 -1.26 -1.63 114.28 112.22 1arm n THR 274 Ca 0.00 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1arm n THR 274 Cb 0.00 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1arm n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1arm n GLY 275 N 0.86 1.26 0.15 3.38 0.00 -1.26 -4.93 105.19 104.65 1arm n GLY 275 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1arm n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1arm h ARG 276 N 0.00 0.15 0.00 1.61 2.43 -2.02 -3.26 114.38 113.28 1arm h ARG 276 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1arm h ARG 276 Cb 0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1arm h ARG 276 CO 0.00 0.10 -1.41 0.66 -1.51 0.00 0.00 179.97 177.81 1arm n TYR 277 N -5.12 0.00 0.00 2.20 4.01 -1.26 -5.07 117.16 111.92 1arm n TYR 277 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1arm n TYR 277 Cb 0.17 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1arm n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1arm n GLY 278 N 2.08 3.13 0.26 2.72 0.00 -1.23 -1.72 105.19 110.43 1arm n GLY 278 Ca -0.03 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1arm n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1arm h PHE 279 N 0.00 0.00 -0.94 1.61 0.04 -1.93 -3.18 116.94 112.54 1arm h PHE 279 Ca 0.00 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.28 1arm h PHE 279 Cb 0.00 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 37.96 1arm h PHE 279 CO 0.00 0.14 0.55 1.28 -0.60 0.00 0.00 178.31 179.68 1arm n LEU 280 N -3.51 6.79 -4.73 1.54 4.32 -0.70 -4.53 117.00 116.19 1arm n LEU 280 Ca -0.01 -3.91 -0.42 0.00 -0.02 0.00 0.00 56.01 51.65 1arm n LEU 280 Cb 0.29 -1.11 -0.03 0.00 -1.62 0.00 0.00 43.42 40.95 1arm n LEU 280 CO 0.30 1.51 1.35 -0.11 -1.22 0.00 0.00 177.39 179.22 1arm n LEU 281 N 0.24 4.11 -4.72 2.23 7.94 -1.20 -4.89 117.00 120.71 1arm n LEU 281 Ca 0.45 1.08 -0.36 0.00 -1.11 0.00 0.00 56.01 56.07 1arm n LEU 281 Cb 0.54 -1.58 0.08 0.00 0.53 0.00 0.00 43.42 42.99 1arm n LEU 281 CO 0.44 0.19 0.88 -2.84 -1.11 0.00 0.00 177.39 174.95 1arm s PRO 282 N 0.76 2.38 0.36 1.96 0.02 -1.26 -4.88 135.00 134.33 1arm s PRO 282 Ca 0.72 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.79 1arm s PRO 282 Cb -0.50 -1.83 0.71 0.00 0.02 0.00 0.00 34.50 32.90 1arm s PRO 282 CO 0.36 -1.72 2.00 0.00 -0.33 0.00 0.00 177.00 177.31 1arm h ALA 283 N 0.26 1.64 0.00 -1.55 0.00 -1.92 -0.01 119.26 117.68 1arm h ALA 283 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1arm h ALA 283 Cb 1.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1arm h ALA 283 CO 0.52 0.30 0.07 -1.13 0.00 0.00 0.00 179.25 179.00 1arm n SER 284 N -4.46 0.26 -1.06 0.00 3.41 -1.26 -1.03 113.62 109.49 1arm n SER 284 Ca 0.08 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1arm n SER 284 Cb 0.12 -0.60 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 1arm n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1arm n GLN 285 N -1.84 2.39 0.26 4.33 6.02 -0.02 -4.58 117.38 123.94 1arm n GLN 285 Ca -0.01 -2.12 -0.14 0.00 -0.01 0.00 0.00 57.00 54.72 1arm n GLN 285 Cb 0.09 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.79 1arm n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1arm h ILE 286 N 4.49 0.00 -0.28 5.09 2.04 -1.21 -1.35 117.51 126.30 1arm h ILE 286 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1arm h ILE 286 Cb 0.98 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1arm h ILE 286 CO 0.00 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.71 1arm h ILE 287 N -0.81 1.02 -0.85 -0.67 1.08 -1.81 0.44 117.51 115.92 1arm h ILE 287 Ca -0.06 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1arm h ILE 287 Cb 0.68 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1arm h ILE 287 CO 0.01 0.06 0.50 -0.65 -0.69 0.00 0.00 178.15 177.38 1arm h PRO 288 N 0.33 1.16 -0.18 2.37 0.11 -1.83 0.46 132.00 134.41 1arm h PRO 288 Ca 0.11 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1arm h PRO 288 Cb 0.00 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1arm h PRO 288 CO -0.06 0.82 0.10 1.15 -0.21 0.00 0.00 178.00 179.80 1arm h THR 289 N 1.17 1.02 -0.36 -1.15 2.02 -0.99 -1.20 112.91 113.41 1arm h THR 289 Ca 0.30 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 1arm h THR 289 Cb -0.04 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1arm h THR 289 CO -0.06 0.04 0.16 0.00 0.37 0.00 0.00 175.52 176.04 1arm h ALA 290 N 1.08 0.47 -0.47 6.16 0.00 -0.14 -0.78 119.26 125.59 1arm h ALA 290 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1arm h ALA 290 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1arm h ALA 290 CO -0.04 0.05 0.27 1.96 0.00 0.00 0.00 179.25 181.50 1arm h GLN 291 N 0.45 0.65 -0.56 0.00 4.20 0.20 -1.98 115.11 118.07 1arm h GLN 291 Ca 0.12 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1arm h GLN 291 Cb 0.14 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1arm h GLN 291 CO -0.01 0.49 -0.05 1.05 -0.67 0.00 0.00 178.83 179.63 1arm h GLU 292 N 0.63 1.01 -0.67 1.46 4.11 -1.15 -3.06 114.58 116.90 1arm h GLU 292 Ca 0.17 -0.34 0.01 0.00 0.07 0.00 0.00 59.36 59.27 1arm h GLU 292 Cb 0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1arm h GLU 292 CO -0.03 1.02 0.44 1.15 0.07 0.00 0.00 179.01 181.66 1arm h THR 293 N 0.91 1.16 -0.53 -1.06 2.02 -0.81 -1.65 112.91 112.96 1arm h THR 293 Ca 0.15 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1arm h THR 293 Cb 0.60 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1arm h THR 293 CO 0.04 0.16 0.28 -0.25 0.37 0.00 0.00 175.52 176.12 1arm h TRP 294 N 0.89 0.52 -0.80 3.16 2.91 -1.29 0.30 115.95 121.64 1arm h TRP 294 Ca 0.25 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.29 1arm h TRP 294 Cb -0.09 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.37 1arm h TRP 294 CO -0.00 0.27 0.52 -0.07 -1.03 0.00 0.00 178.44 178.13 1arm h LEU 295 N 0.55 0.93 -0.52 0.65 4.07 -1.21 0.54 115.31 120.33 1arm h LEU 295 Ca 0.23 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 1arm h LEU 295 Cb 0.11 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1arm h LEU 295 CO -0.14 0.69 0.16 1.23 -1.08 0.00 0.00 178.44 179.29 1arm h GLY 296 N 1.09 0.86 1.01 0.83 0.00 -0.89 -2.30 103.07 103.68 1arm h GLY 296 Ca 0.29 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1arm h GLY 296 CO -0.06 0.48 0.09 -2.08 0.00 0.00 0.00 176.54 174.97 1arm h VAL 297 N 0.71 1.25 -0.48 4.60 2.07 0.44 -2.74 116.25 122.10 1arm h VAL 297 Ca 0.17 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1arm h VAL 297 Cb 0.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1arm h VAL 297 CO -0.01 0.35 0.28 0.25 0.02 0.00 0.00 177.57 178.47 1arm h LEU 298 N 0.80 0.57 -0.78 2.57 5.85 0.20 -0.61 115.31 123.91 1arm h LEU 298 Ca 0.17 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1arm h LEU 298 Cb 0.41 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1arm h LEU 298 CO 0.01 0.45 0.15 0.74 -0.34 0.00 0.00 178.44 179.45 1arm h THR 299 N 0.66 1.26 -0.42 1.05 2.02 -1.17 0.51 112.91 116.83 1arm h THR 299 Ca 0.17 -0.96 -0.14 0.00 0.77 0.00 0.00 66.41 66.25 1arm h THR 299 Cb -0.01 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1arm h THR 299 CO -0.03 0.37 -0.28 0.40 0.37 0.00 0.00 175.52 176.34 1arm h ILE 300 N 1.02 1.27 -0.39 3.11 2.04 -0.96 -2.20 117.51 121.40 1arm h ILE 300 Ca 0.21 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1arm h ILE 300 Cb 0.37 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1arm h ILE 300 CO 0.00 0.49 0.18 0.24 0.00 0.00 0.00 178.15 179.06 1arm h MET 301 N 0.77 0.57 -0.59 2.37 2.86 -0.74 -0.76 114.93 119.40 1arm h MET 301 Ca 0.09 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1arm h MET 301 Cb 0.85 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.34 1arm h MET 301 CO 0.07 0.51 0.23 0.93 1.06 0.00 0.00 176.91 179.72 1arm h GLU 302 N 0.49 0.41 -0.69 1.72 5.08 -0.79 -0.15 114.58 120.66 1arm h GLU 302 Ca 0.13 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1arm h GLU 302 Cb 0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1arm h GLU 302 CO -0.02 0.27 0.45 1.25 -1.00 0.00 0.00 179.01 179.97 1arm h HIS 303 N 0.42 0.86 0.03 4.33 2.76 -0.96 -2.45 115.15 120.14 1arm h HIS 303 Ca 0.29 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1arm h HIS 303 Cb 0.34 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1arm h HIS 303 CO -0.16 0.54 -0.01 1.15 -1.30 0.00 0.00 177.93 178.15 1arm h THR 304 N 0.92 1.16 -0.92 6.26 2.02 0.42 -2.58 112.91 120.20 1arm h THR 304 Ca 0.25 -0.59 0.15 0.00 0.77 0.00 0.00 66.41 66.99 1arm h THR 304 Cb -0.10 1.55 -0.09 0.00 -1.74 0.00 0.00 68.15 67.77 1arm h THR 304 CO -0.06 0.15 0.52 1.62 0.37 0.00 0.00 175.52 178.13 1arm h VAL 305 N -0.29 0.78 -0.29 3.16 3.04 -0.74 -1.77 116.25 120.14 1arm h VAL 305 Ca -0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1arm h VAL 305 Cb 0.28 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.52 1arm h VAL 305 CO 0.01 0.14 0.00 0.59 -1.01 0.00 0.00 177.57 177.29 1arm n ASN 306 N -4.78 2.48 0.00 3.17 3.02 -1.03 -5.13 115.26 112.99 1arm n ASN 306 Ca 0.19 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 1arm n ASN 306 Cb 0.44 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1arm n ASN 306 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23