#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4h s SER 11 N 0.00 5.89 0.46 1.96 1.04 -1.26 -4.91 113.70 116.87 2x4h s SER 11 Ca 0.00 1.53 0.12 0.00 0.48 0.00 0.00 55.95 58.08 2x4h s SER 11 Cb 0.00 -2.49 1.04 0.00 0.10 0.00 0.00 66.02 64.67 2x4h s SER 11 CO 0.00 -1.10 2.08 0.03 0.98 0.00 0.00 173.24 175.23 2x4h h ARG 12 N -0.35 0.32 -0.21 4.02 2.47 -1.97 0.76 114.38 119.43 2x4h h ARG 12 Ca -0.44 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.20 2x4h h ARG 12 Cb 1.20 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 2x4h h ARG 12 CO 0.60 0.21 -0.09 -0.09 0.56 0.00 0.00 179.97 181.16 2x4h h ARG 13 N 0.33 0.42 -0.59 0.04 2.43 -2.00 -1.90 114.38 113.11 2x4h h ARG 13 Ca 0.12 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2x4h h ARG 13 Cb 0.06 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2x4h h ARG 13 CO -0.02 0.70 0.39 0.93 -1.51 0.00 0.00 179.97 180.46 2x4h h GLU 14 N 0.13 0.63 -0.44 0.20 5.08 -1.81 -2.16 114.58 116.22 2x4h h GLU 14 Ca 0.05 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2x4h h GLU 14 Cb 0.57 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2x4h h GLU 14 CO 0.03 0.42 0.19 0.35 -1.00 0.00 0.00 179.01 179.00 2x4h h PHE 15 N 0.65 0.34 -0.74 4.33 3.57 -0.39 -1.19 116.94 123.52 2x4h h PHE 15 Ca 0.25 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2x4h h PHE 15 Cb 0.15 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2x4h h PHE 15 CO -0.00 0.15 0.42 0.77 -2.23 0.00 0.00 178.31 177.42 2x4h h SER 16 N 0.38 0.61 0.11 0.41 0.02 -0.73 -0.23 113.55 114.12 2x4h h SER 16 Ca 0.20 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2x4h h SER 16 Cb 0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2x4h h SER 16 CO -0.17 0.38 -0.05 1.88 -1.14 0.00 0.00 176.83 177.73 2x4h h TYR 17 N 0.74 -0.13 -0.60 3.45 -1.99 -1.07 -1.15 116.97 116.22 2x4h h TYR 17 Ca 0.34 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.03 2x4h h TYR 17 Cb 0.24 0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 2x4h h TYR 17 CO -0.07 0.02 0.21 -0.07 -0.00 0.00 0.00 178.16 178.24 2x4h h LEU 18 N -0.26 0.82 -0.76 3.88 3.38 -1.00 0.16 115.31 121.52 2x4h h LEU 18 Ca -0.01 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2x4h h LEU 18 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2x4h h LEU 18 CO 0.02 0.76 -0.14 -0.07 0.09 0.00 0.00 178.44 179.10 2x4h h LEU 19 N 0.87 0.78 0.10 1.67 3.38 -0.97 0.12 115.31 121.26 2x4h h LEU 19 Ca 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2x4h h LEU 19 Cb 0.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2x4h h LEU 19 CO -0.01 0.94 -0.05 0.74 0.09 0.00 0.00 178.44 180.15 2x4h h THR 20 N 0.70 1.09 -0.59 0.22 2.02 -0.71 -1.21 112.91 114.43 2x4h h THR 20 Ca 0.11 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.62 2x4h h THR 20 Cb 0.64 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 2x4h h THR 20 CO 0.04 0.18 0.28 0.40 0.37 0.00 0.00 175.52 176.79 2x4h h ILE 21 N -0.48 0.89 -0.76 3.11 2.04 -0.61 -1.98 117.51 119.72 2x4h h ILE 21 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2x4h h ILE 21 Cb 0.40 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2x4h h ILE 21 CO 0.02 0.09 0.42 0.50 0.00 0.00 0.00 178.15 179.18 2x4h h LYS 22 N 0.51 1.05 -0.85 2.37 3.64 -0.63 -1.97 116.57 120.70 2x4h h LYS 22 Ca 0.27 -0.11 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2x4h h LYS 22 Cb 0.24 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 2x4h h LYS 22 CO -0.22 0.77 0.47 -0.09 -2.27 0.00 0.00 179.45 178.11 2x4h h ARG 23 N 1.06 0.73 -0.21 1.90 2.43 -0.43 0.20 114.38 120.07 2x4h h ARG 23 Ca 0.27 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2x4h h ARG 23 Cb 0.02 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2x4h h ARG 23 CO -0.04 0.49 -0.13 1.88 -1.51 0.00 0.00 179.97 180.65 2x4h h TYR 24 N 0.76 0.53 -0.83 2.20 -1.99 -1.31 -2.31 116.97 114.01 2x4h h TYR 24 Ca 0.43 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 61.03 2x4h h TYR 24 Cb 0.47 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 39.03 2x4h h TYR 24 CO -0.06 0.77 0.55 -0.91 -0.00 0.00 0.00 178.16 178.50 2x4h h ASN 25 N 0.14 0.93 0.57 3.88 -0.26 -0.70 0.24 115.58 120.39 2x4h h ASN 25 Ca 0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2x4h h ASN 25 Cb 0.64 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2x4h h ASN 25 CO 0.04 0.67 0.00 0.44 -1.06 0.00 0.00 177.43 177.51 2x4h h ASP 26 N 1.10 0.00 -0.24 5.81 3.45 -0.54 -1.49 116.42 124.50 2x4h h ASP 26 Ca 0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.78 2x4h h ASP 26 Cb -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2x4h h ASP 26 CO -0.08 0.00 0.00 -1.20 -1.57 0.00 0.00 179.24 176.39 2x4h n SER 27 N -2.84 2.51 0.00 6.45 7.64 -0.03 -4.97 113.62 122.38 2x4h n SER 27 Ca -0.00 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.03 2x4h n SER 27 Cb 0.20 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2x4h n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x4h n GLY 28 N 1.31 0.78 3.11 0.23 0.00 -0.56 -5.06 105.19 104.99 2x4h n GLY 28 Ca 0.17 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2x4h n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4h s GLU 29 N -0.64 0.96 0.55 1.61 2.02 -0.57 -4.99 118.70 117.64 2x4h s GLU 29 Ca 0.00 -0.58 -0.20 0.00 0.02 0.00 0.00 54.97 54.20 2x4h s GLU 29 Cb 0.00 -0.94 -0.05 0.00 0.10 0.00 0.00 34.13 33.24 2x4h s GLU 29 CO 0.00 0.25 1.23 0.20 0.02 0.00 0.00 175.26 176.96 2x4h s GLY 30 N -0.68 2.79 -0.07 -1.39 0.00 -1.26 -1.94 107.32 104.77 2x4h s GLY 30 Ca 0.03 1.07 -0.28 0.00 0.00 0.00 0.00 44.72 45.54 2x4h s GLY 30 CO 0.00 1.50 0.91 0.00 0.00 0.00 0.00 173.10 175.51 2x4h s ALA 31 N -1.51 3.31 0.03 3.20 0.00 0.42 -4.56 121.76 122.65 2x4h s ALA 31 Ca 0.73 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 2x4h s ALA 31 Cb -0.32 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 2x4h s ALA 31 CO 0.37 -0.37 0.52 0.15 0.00 0.00 0.00 175.76 176.43 2x4h s LYS 32 N 1.41 4.15 0.18 0.00 -0.14 -1.26 -0.50 119.74 123.57 2x4h s LYS 32 Ca 0.46 0.63 -0.20 0.00 -1.36 0.00 0.00 55.97 55.50 2x4h s LYS 32 Cb -0.19 -3.26 0.11 0.00 -1.68 0.00 0.00 37.83 32.81 2x4h s LYS 32 CO 0.21 0.59 1.61 0.82 -0.76 0.00 0.00 175.35 177.82 2x4h h ILE 33 N 3.73 0.29 0.00 2.17 1.08 -1.97 -0.56 117.51 122.26 2x4h h ILE 33 Ca -0.49 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 2x4h h ILE 33 Cb 1.21 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 35.25 2x4h h ILE 33 CO 0.64 0.00 -0.03 0.78 -0.69 0.00 0.00 178.15 178.86 2x4h h ASN 34 N -0.16 0.00 0.22 1.72 2.35 -1.94 -0.58 115.58 117.20 2x4h h ASN 34 Ca 0.21 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.63 2x4h h ASN 34 Cb 0.50 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.90 2x4h h ASN 34 CO -0.56 0.03 -1.55 0.03 -1.65 0.00 0.00 177.43 173.72 2x4h h ARG 35 N 0.00 0.46 -0.53 0.81 3.08 -1.55 -2.08 114.38 114.58 2x4h h ARG 35 Ca -0.00 -0.79 0.05 0.00 0.07 0.00 0.00 59.98 59.30 2x4h h ARG 35 Cb 0.06 0.30 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2x4h h ARG 35 CO 0.00 1.38 0.27 0.82 -1.07 0.00 0.00 179.97 181.38 2x4h h ILE 36 N 0.08 0.96 0.24 2.04 2.04 -1.01 0.23 117.51 122.09 2x4h h ILE 36 Ca -0.29 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.40 2x4h h ILE 36 Cb 2.10 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 2x4h h ILE 36 CO 0.22 0.10 -0.33 0.00 0.00 0.00 0.00 178.15 178.14 2x4h h ALA 37 N 1.28 -0.64 -0.21 1.87 0.00 -1.14 -0.19 119.26 120.24 2x4h h ALA 37 Ca 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2x4h h ALA 37 Cb 0.14 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2x4h h ALA 37 CO -0.16 -0.91 0.09 -0.22 0.00 0.00 0.00 179.25 178.06 2x4h h LYS 38 N -0.63 0.20 0.00 0.00 3.64 -1.11 0.20 116.57 118.87 2x4h h LYS 38 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2x4h h LYS 38 Cb 0.61 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2x4h h LYS 38 CO -0.12 0.13 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.52 2x4h h ASP 39 N 0.20 0.00 0.16 4.20 3.32 -0.38 -2.97 116.42 120.96 2x4h h ASP 39 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2x4h h ASP 39 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2x4h h ASP 39 CO -0.07 0.23 -1.45 0.18 -1.72 0.00 0.00 179.24 176.42 2x4h n LEU 40 N -4.21 0.46 -2.34 1.55 4.77 -0.10 -5.02 117.00 112.11 2x4h n LEU 40 Ca -0.02 -0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 55.77 2x4h n LEU 40 Cb 0.29 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2x4h n LEU 40 CO 0.37 0.06 0.02 0.29 -1.33 0.00 0.00 177.39 176.80 2x4h n LYS 41 N -2.01 -1.38 -3.83 3.23 5.02 0.64 -5.07 118.16 114.75 2x4h n LYS 41 Ca -0.00 0.43 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 2x4h n LYS 41 Cb 0.47 -3.71 -0.09 0.00 -0.02 0.00 0.00 35.03 31.68 2x4h n LYS 41 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2x4h s ILE 42 N -3.19 0.07 0.49 -0.18 1.01 -0.77 -5.06 121.20 113.57 2x4h s ILE 42 Ca 0.20 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 2x4h s ILE 42 Cb -0.03 -0.49 -0.07 0.00 0.01 0.00 0.00 42.46 41.88 2x4h s ILE 42 CO 0.36 -0.33 1.42 0.00 0.00 0.00 0.00 174.94 176.40 2x4h s ALA 43 N -1.33 3.11 0.29 9.38 0.00 -1.26 -4.47 121.76 127.49 2x4h s ALA 43 Ca -0.14 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.30 2x4h s ALA 43 Cb -0.07 -3.60 0.60 0.00 0.00 0.00 0.00 23.12 20.06 2x4h s ALA 43 CO 0.02 -1.30 1.84 -1.35 0.00 0.00 0.00 175.76 174.98 2x4h h PRO 44 N 2.02 0.92 -0.39 0.00 0.11 -1.92 -1.99 132.00 130.74 2x4h h PRO 44 Ca -0.51 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.44 2x4h h PRO 44 Cb 1.28 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2x4h h PRO 44 CO 0.60 0.61 -0.18 0.66 -0.21 0.00 0.00 178.00 179.47 2x4h h SER 45 N 0.94 0.74 -0.42 -2.05 4.64 -1.98 0.49 113.55 115.92 2x4h h SER 45 Ca 0.50 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 2x4h h SER 45 Cb 0.55 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2x4h h SER 45 CO -0.27 0.92 -0.06 0.28 -0.87 0.00 0.00 176.83 176.83 2x4h h SER 46 N 0.65 0.84 -0.02 4.97 0.02 -1.89 -1.31 113.55 116.81 2x4h h SER 46 Ca 0.10 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2x4h h SER 46 Cb 0.66 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2x4h h SER 46 CO 0.05 0.94 0.00 0.58 -1.14 0.00 0.00 176.83 177.26 2x4h h VAL 47 N 0.78 1.23 -0.26 2.27 2.07 -1.04 -1.76 116.25 119.54 2x4h h VAL 47 Ca 0.14 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 67.03 2x4h h VAL 47 Cb 0.56 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2x4h h VAL 47 CO 0.03 0.18 -0.17 0.15 0.02 0.00 0.00 177.57 177.78 2x4h h PHE 48 N -0.25 -0.43 -0.14 1.57 3.57 -0.86 0.15 116.94 120.54 2x4h h PHE 48 Ca 0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2x4h h PHE 48 Cb 0.29 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2x4h h PHE 48 CO 0.02 -0.25 -0.06 1.49 -2.23 0.00 0.00 178.31 177.29 2x4h h GLU 49 N -0.15 -0.04 -0.47 1.11 4.81 -1.13 -2.23 114.58 116.47 2x4h h GLU 49 Ca 0.14 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2x4h h GLU 49 Cb 0.37 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2x4h h GLU 49 CO -0.36 -0.03 0.14 1.49 -0.73 0.00 0.00 179.01 179.52 2x4h h GLU 50 N -0.04 0.70 -0.45 1.92 4.57 -1.01 -2.51 114.58 117.76 2x4h h GLU 50 Ca 0.08 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2x4h h GLU 50 Cb 0.16 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2x4h h GLU 50 CO -0.17 0.62 0.22 0.28 -1.18 0.00 0.00 179.01 178.78 2x4h h VAL 51 N 0.69 1.18 -0.46 0.32 2.07 -0.49 -1.06 116.25 118.50 2x4h h VAL 51 Ca 0.16 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2x4h h VAL 51 Cb 0.22 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2x4h h VAL 51 CO -0.01 0.19 0.31 0.28 0.02 0.00 0.00 177.57 178.36 2x4h h SER 52 N 0.58 0.37 -0.30 0.57 0.02 -1.13 0.70 113.55 114.35 2x4h h SER 52 Ca 0.15 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2x4h h SER 52 Cb 0.11 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2x4h h SER 52 CO -0.02 0.25 -0.16 -0.74 -1.14 0.00 0.00 176.83 175.01 2x4h h HIS 53 N 0.42 0.75 -0.37 3.45 6.17 -0.97 -1.20 115.15 123.41 2x4h h HIS 53 Ca 0.19 -0.19 -0.10 0.00 0.71 0.00 0.00 60.37 60.98 2x4h h HIS 53 Cb 0.24 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 29.98 2x4h h HIS 53 CO -0.00 0.88 -0.17 -0.07 0.71 0.00 0.00 177.93 179.28 2x4h h LEU 54 N 0.40 0.70 -0.54 0.26 3.38 -0.56 -1.98 115.31 116.97 2x4h h LEU 54 Ca 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2x4h h LEU 54 Cb 0.69 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2x4h h LEU 54 CO 0.05 0.87 0.20 -0.08 0.09 0.00 0.00 178.44 179.57 2x4h h GLU 55 N 0.62 0.81 -0.27 1.13 4.81 -0.79 -1.50 114.58 119.40 2x4h h GLU 55 Ca 0.10 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2x4h h GLU 55 Cb 0.64 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2x4h h GLU 55 CO 0.05 0.72 0.12 0.93 -0.73 0.00 0.00 179.01 180.10 2x4h h GLU 56 N 0.73 0.37 -0.05 1.92 5.08 -0.81 -1.02 114.58 120.80 2x4h h GLU 56 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2x4h h GLU 56 Cb 0.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2x4h h GLU 56 CO -0.01 0.30 0.00 1.63 -1.00 0.00 0.00 179.01 179.93 2x4h n LYS 57 N -4.44 1.38 -1.40 2.33 5.02 -0.78 -4.92 118.16 115.35 2x4h n LYS 57 Ca 0.01 -0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 55.65 2x4h n LYS 57 Cb 0.12 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2x4h n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x4h n GLY 58 N 1.03 0.85 0.06 0.72 0.00 -0.39 -4.91 105.19 102.55 2x4h n GLY 58 Ca 0.18 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.61 2x4h n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x4h n LEU 59 N -0.99 0.32 -4.32 0.99 4.77 -0.60 -4.38 117.00 112.79 2x4h n LEU 59 Ca -0.09 0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 2x4h n LEU 59 Cb 0.33 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2x4h n LEU 59 CO 0.12 0.07 -0.23 0.68 -1.33 0.00 0.00 177.39 176.70 2x4h s VAL 60 N -3.21 0.46 -0.12 4.08 -7.23 -1.20 -1.22 120.40 111.96 2x4h s VAL 60 Ca -0.06 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 2x4h s VAL 60 Cb 0.11 -2.58 0.04 0.00 0.56 0.00 0.00 36.38 34.50 2x4h s VAL 60 CO 0.85 0.00 0.31 -0.75 -0.31 0.00 0.00 175.10 175.21 2x4h s LYS 61 N -3.96 0.34 0.06 4.82 2.20 0.26 -4.37 119.74 119.08 2x4h s LYS 61 Ca 0.37 0.50 -0.25 0.00 -0.36 0.00 0.00 55.97 56.24 2x4h s LYS 61 Cb 0.07 0.09 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 2x4h s LYS 61 CO 0.15 -0.08 0.75 0.15 -0.36 0.00 0.00 175.35 175.96 2x4h s LYS 62 N 0.56 4.49 0.41 4.03 1.02 -1.26 -1.20 119.74 127.79 2x4h s LYS 62 Ca -0.03 1.05 0.04 0.00 0.02 0.00 0.00 55.97 57.05 2x4h s LYS 62 Cb -0.05 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2x4h s LYS 62 CO -0.03 0.33 0.13 0.15 -0.92 0.00 0.00 175.35 175.01 2x4h s LYS 63 N -0.22 1.95 0.43 1.68 1.02 -0.23 -4.98 119.74 119.39 2x4h s LYS 63 Ca 0.38 -2.19 0.14 0.00 0.02 0.00 0.00 55.97 54.32 2x4h s LYS 63 Cb -0.21 -0.60 1.04 0.00 -0.52 0.00 0.00 37.83 37.55 2x4h s LYS 63 CO 0.23 -0.50 1.97 0.93 -0.92 0.00 0.00 175.35 177.06 2x4h h GLU 64 N 1.77 0.39 -0.56 1.68 4.39 -2.03 -1.74 114.58 118.48 2x4h h GLU 64 Ca -0.35 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2x4h h GLU 64 Cb 1.27 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2x4h h GLU 64 CO 0.56 0.26 0.00 -0.40 -1.16 0.00 0.00 179.01 178.27 2x4h n ASP 65 N -4.47 3.47 0.00 1.42 5.75 -1.26 -5.07 116.55 116.39 2x4h n ASP 65 Ca 0.11 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 2x4h n ASP 65 Cb 0.41 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2x4h n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x4h n GLY 66 N 1.53 0.62 3.77 6.12 0.00 -0.66 -4.02 105.19 112.56 2x4h n GLY 66 Ca 0.21 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 2x4h n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x4h s VAL 67 N -0.88 4.98 -0.05 1.61 1.01 0.34 -1.07 120.40 126.35 2x4h s VAL 67 Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.13 2x4h s VAL 67 Cb 0.00 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 2x4h s VAL 67 CO 0.00 0.43 -0.17 0.26 0.00 0.00 0.00 175.10 175.62 2x4h s TRP 68 N -0.21 1.72 0.33 5.22 0.52 -0.34 -0.44 118.94 125.73 2x4h s TRP 68 Ca 0.28 -0.52 -0.28 0.00 0.02 0.00 0.00 56.10 55.61 2x4h s TRP 68 Cb -0.17 -1.17 -0.09 0.00 -1.15 0.00 0.00 33.47 30.89 2x4h s TRP 68 CO 0.15 -0.19 1.12 -1.50 0.02 0.00 0.00 176.95 176.55 2x4h s ILE 69 N 0.12 3.41 0.65 2.03 2.07 -1.26 -0.57 121.20 127.65 2x4h s ILE 69 Ca -0.06 1.31 -0.02 0.00 -1.41 0.00 0.00 60.65 60.48 2x4h s ILE 69 Cb -0.12 -3.80 0.07 0.00 0.13 0.00 0.00 42.46 38.74 2x4h s ILE 69 CO 0.03 0.23 0.91 0.42 -1.91 0.00 0.00 174.94 174.62 2x4h s THR 70 N -1.29 2.40 0.25 4.00 -4.23 -0.36 -4.85 115.64 111.55 2x4h s THR 70 Ca 0.49 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 60.44 2x4h s THR 70 Cb -0.31 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 70.87 2x4h s THR 70 CO 0.39 0.00 1.79 0.78 -0.54 0.00 0.00 174.62 177.04 2x4h h ASN 71 N -0.32 0.60 -0.32 3.99 4.21 -1.89 -0.06 115.58 121.79 2x4h h ASN 71 Ca -0.41 0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.10 2x4h h ASN 71 Cb 1.29 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.43 2x4h h ASN 71 CO 0.50 0.32 0.00 0.78 -1.29 0.00 0.00 177.43 177.74 2x4h h ASN 72 N 0.71 0.63 -0.46 5.81 2.35 -1.89 0.11 115.58 122.84 2x4h h ASN 72 Ca 0.41 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2x4h h ASN 72 Cb 0.45 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2x4h h ASN 72 CO -0.28 0.70 0.25 1.23 -1.65 0.00 0.00 177.43 177.68 2x4h h GLY 73 N 0.92 0.68 0.97 2.83 0.00 -1.37 -1.22 103.07 105.89 2x4h h GLY 73 Ca 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2x4h h GLY 73 CO 0.01 0.30 0.05 -0.84 0.00 0.00 0.00 176.54 176.07 2x4h h THR 74 N 0.60 1.25 -0.58 4.70 2.02 -0.64 -1.78 112.91 118.49 2x4h h THR 74 Ca 0.16 -0.95 0.09 0.00 0.77 0.00 0.00 66.41 66.48 2x4h h THR 74 Cb 0.05 0.98 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 2x4h h THR 74 CO -0.03 0.33 0.21 0.03 0.37 0.00 0.00 175.52 176.43 2x4h h ARG 75 N 0.63 0.38 -0.34 6.66 3.08 -0.89 -1.05 114.38 122.85 2x4h h ARG 75 Ca 0.14 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 2x4h h ARG 75 Cb 0.42 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2x4h h ARG 75 CO 0.01 0.25 -0.12 0.77 -1.07 0.00 0.00 179.97 179.82 2x4h h SER 76 N 0.39 0.57 0.57 7.04 0.02 -0.86 0.37 113.55 121.64 2x4h h SER 76 Ca 0.29 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2x4h h SER 76 Cb 0.35 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2x4h h SER 76 CO -0.29 0.72 -0.27 0.40 -1.14 0.00 0.00 176.83 176.24 2x4h h ILE 77 N 0.53 0.44 -0.60 3.27 2.04 -0.89 -2.24 117.51 120.07 2x4h h ILE 77 Ca 0.10 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2x4h h ILE 77 Cb 0.52 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2x4h h ILE 77 CO 0.03 0.00 0.37 0.78 0.00 0.00 0.00 178.15 179.33 2x4h h ASN 78 N -0.78 0.70 -0.71 1.72 2.35 -0.86 -0.98 115.58 117.02 2x4h h ASN 78 Ca -0.08 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2x4h h ASN 78 Cb 0.59 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 2x4h h ASN 78 CO 0.13 0.53 0.20 0.22 -1.65 0.00 0.00 177.43 176.86 2x4h h TYR 79 N 0.81 1.17 -0.00 1.19 3.20 -0.85 -1.76 116.97 120.73 2x4h h TYR 79 Ca 0.22 -0.13 -0.21 0.00 3.14 0.00 0.00 58.73 61.75 2x4h h TYR 79 Cb -0.05 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 2x4h h TYR 79 CO 0.00 0.94 -0.90 1.25 -1.64 0.00 0.00 178.16 177.81 2x4h h LEU 80 N 1.06 0.42 -0.64 2.82 5.85 -0.66 -1.27 115.31 122.89 2x4h h LEU 80 Ca 0.23 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.66 2x4h h LEU 80 Cb 0.34 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2x4h h LEU 80 CO -0.00 1.12 0.37 0.40 -0.34 0.00 0.00 178.44 179.99 2x4h h ILE 81 N 0.19 1.02 -0.72 4.05 2.04 -1.18 -0.46 117.51 122.45 2x4h h ILE 81 Ca -0.06 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2x4h h ILE 81 Cb 1.52 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2x4h h ILE 81 CO 0.15 0.13 0.24 0.50 0.00 0.00 0.00 178.15 179.17 2x4h h LYS 82 N 0.71 1.11 -0.42 2.37 3.64 -1.10 -1.81 116.57 121.06 2x4h h LYS 82 Ca 0.27 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2x4h h LYS 82 Cb 0.10 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2x4h h LYS 82 CO -0.14 0.94 0.07 0.00 -2.27 0.00 0.00 179.45 178.05 2x4h h ALA 83 N 1.12 0.56 -0.15 5.00 0.00 -0.85 -1.01 119.26 123.92 2x4h h ALA 83 Ca 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x4h h ALA 83 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x4h h ALA 83 CO -0.01 0.27 0.09 1.25 0.00 0.00 0.00 179.25 180.85 2x4h h HIS 84 N 0.55 0.20 0.02 0.00 -0.00 -0.86 -2.35 115.15 112.71 2x4h h HIS 84 Ca 0.13 -0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.29 2x4h h HIS 84 Cb 0.37 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 2x4h h HIS 84 CO 0.03 0.17 -0.94 0.00 -0.00 0.00 0.00 177.93 177.19 2x4h h ARG 85 N 0.17 0.15 -0.19 5.26 3.08 -1.32 -2.17 114.38 119.36 2x4h h ARG 85 Ca 0.05 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2x4h h ARG 85 Cb 0.03 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2x4h h ARG 85 CO -0.01 0.98 0.01 0.28 -1.07 0.00 0.00 179.97 180.16 2x4h h VAL 86 N 0.07 1.24 -0.50 2.04 2.07 -1.16 -1.75 116.25 118.25 2x4h h VAL 86 Ca -0.05 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2x4h h VAL 86 Cb 1.60 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2x4h h VAL 86 CO 0.14 0.25 0.33 0.40 0.02 0.00 0.00 177.57 178.71 2x4h h ILE 87 N 0.10 1.13 -0.31 4.57 2.04 -1.41 -2.23 117.51 121.39 2x4h h ILE 87 Ca 0.06 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.74 2x4h h ILE 87 Cb 0.36 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 2x4h h ILE 87 CO 0.01 0.13 -0.20 -0.33 0.00 0.00 0.00 178.15 177.75 2x4h h GLU 88 N 0.68 -0.16 -0.32 2.37 5.08 -1.25 0.28 114.58 121.26 2x4h h GLU 88 Ca 0.18 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2x4h h GLU 88 Cb -0.08 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2x4h h GLU 88 CO -0.04 -0.11 -0.09 0.82 -1.00 0.00 0.00 179.01 178.59 2x4h h ILE 89 N -0.17 0.66 -0.45 3.13 2.04 -1.07 0.14 117.51 121.79 2x4h h ILE 89 Ca 0.16 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 2x4h h ILE 89 Cb 0.42 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 2x4h h ILE 89 CO -0.41 0.00 0.05 0.25 0.00 0.00 0.00 178.15 178.04 2x4h h LEU 90 N -0.01 -0.08 -0.66 1.44 5.85 -0.55 -0.20 115.31 121.10 2x4h h LEU 90 Ca 0.16 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2x4h h LEU 90 Cb 0.25 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2x4h h LEU 90 CO -0.34 -0.01 0.17 -0.07 -0.34 0.00 0.00 178.44 177.85 2x4h h LEU 91 N 0.17 0.99 -0.73 2.25 3.38 0.18 -2.14 115.31 119.42 2x4h h LEU 91 Ca 0.23 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2x4h h LEU 91 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2x4h h LEU 91 CO -0.33 0.97 0.21 0.58 0.09 0.00 0.00 178.44 179.96 2x4h h VAL 92 N 0.98 1.26 -0.71 1.22 2.07 -0.47 -1.65 116.25 118.94 2x4h h VAL 92 Ca 0.21 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2x4h h VAL 92 Cb 0.36 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2x4h h VAL 92 CO 0.00 0.36 0.44 0.78 0.02 0.00 0.00 177.57 179.17 2x4h h ASN 93 N 1.09 0.71 0.57 0.57 2.35 -0.60 -1.95 115.58 118.31 2x4h h ASN 93 Ca 0.23 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2x4h h ASN 93 Cb 0.33 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2x4h h ASN 93 CO -0.00 0.48 0.00 2.30 -1.65 0.00 0.00 177.43 178.56 2x4h n ILE 94 N -4.68 0.16 0.00 2.81 -5.35 -0.84 -4.88 119.36 106.58 2x4h n ILE 94 Ca 0.08 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 2x4h n ILE 94 Cb 0.11 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 2x4h n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x4h n GLY 95 N 1.00 1.59 3.86 3.28 0.00 -0.73 -5.10 105.19 109.08 2x4h n GLY 95 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2x4h n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x4h s ILE 96 N -2.00 5.34 0.49 -0.61 1.01 -0.66 -5.02 121.20 119.75 2x4h s ILE 96 Ca 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 60.65 60.86 2x4h s ILE 96 Cb 0.00 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 2x4h s ILE 96 CO 0.00 0.60 1.06 -0.67 0.00 0.00 0.00 174.94 175.93 2x4h n ASP 97 N 1.94 1.39 0.14 3.58 2.03 -1.26 -4.27 116.55 120.11 2x4h n ASP 97 Ca -0.18 0.96 0.08 0.00 0.52 0.00 0.00 54.79 56.17 2x4h n ASP 97 Cb 0.54 -1.40 0.57 0.00 -0.72 0.00 0.00 41.12 40.10 2x4h n ASP 97 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2x4h h LYS 98 N 1.26 0.19 0.21 -0.67 6.56 -1.97 -0.29 116.57 121.85 2x4h h LYS 98 Ca -0.47 -0.01 -0.32 0.00 -1.06 0.00 0.00 60.65 58.78 2x4h h LYS 98 Cb 1.34 -0.04 0.02 0.00 -0.57 0.00 0.00 32.23 32.98 2x4h h LYS 98 CO 0.55 0.13 -1.48 -0.56 -2.06 0.00 0.00 179.45 176.03 2x4h h GLN 99 N 0.20 0.44 -0.06 3.15 3.07 -2.01 -3.15 115.11 116.75 2x4h h GLN 99 Ca 0.08 -0.75 -0.12 0.00 0.09 0.00 0.00 58.65 57.95 2x4h h GLN 99 Cb 0.09 0.28 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 2x4h h GLN 99 CO -0.02 1.35 -0.52 1.15 0.09 0.00 0.00 178.83 180.89 2x4h h THR 100 N 0.12 1.36 -0.29 1.86 2.02 -1.85 -2.50 112.91 113.64 2x4h h THR 100 Ca -0.25 -1.78 0.02 0.00 0.77 0.00 0.00 66.41 65.18 2x4h h THR 100 Cb 2.11 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 70.39 2x4h h THR 100 CO 0.24 0.52 0.12 0.00 0.37 0.00 0.00 175.52 176.77 2x4h h ALA 101 N 1.35 0.34 -0.08 6.16 0.00 -1.14 -1.17 119.26 124.72 2x4h h ALA 101 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2x4h h ALA 101 Cb 0.95 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2x4h h ALA 101 CO 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 179.25 178.98 2x4h h GLU 103 N -0.09 0.33 -0.54 0.00 4.81 -1.35 -1.40 114.58 116.33 2x4h h GLU 103 Ca 0.06 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2x4h h GLU 103 Cb 0.18 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2x4h h GLU 103 CO -0.14 0.28 0.28 1.88 -0.73 0.00 0.00 179.01 180.57 2x4h h TYR 104 N 0.29 0.51 -0.65 0.92 0.05 -1.09 -2.90 116.97 114.10 2x4h h TYR 104 Ca 0.09 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 2x4h h TYR 104 Cb 0.03 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 2x4h h TYR 104 CO -0.04 0.24 0.38 1.03 -1.05 0.00 0.00 178.16 178.72 2x4h h SER 105 N 0.53 0.80 -0.63 3.88 0.87 -0.66 -1.58 113.55 116.76 2x4h h SER 105 Ca 0.24 -0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.86 2x4h h SER 105 Cb 0.15 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 2x4h h SER 105 CO -0.17 0.64 0.43 0.11 -0.53 0.00 0.00 176.83 177.32 2x4h h LYS 106 N 0.89 0.28 0.00 2.24 1.57 -1.07 0.12 116.57 120.59 2x4h h LYS 106 Ca 0.23 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 2x4h h LYS 106 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2x4h h LYS 106 CO -0.04 0.18 -0.25 1.96 -0.57 0.00 0.00 179.45 180.74 2x4h h GLN 107 N 0.28 0.00 0.00 3.15 4.20 -1.14 -3.38 115.11 118.23 2x4h h GLN 107 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2x4h h GLN 107 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2x4h h GLN 107 CO -0.07 0.25 0.00 1.97 -0.67 0.00 0.00 178.83 180.30 2x4h n PHE 108 N -3.67 0.00 -0.27 2.96 1.16 -1.01 -4.92 117.46 111.71 2x4h n PHE 108 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.51 2x4h n PHE 108 Cb 0.37 0.03 0.06 0.00 -1.61 0.00 0.00 39.48 38.32 2x4h n PHE 108 CO 0.00 0.00 0.00 0.38 -1.87 0.00 0.00 176.76 175.27 2x4h h ASP 109 N 0.00 0.99 0.76 5.98 3.04 -0.96 -1.45 116.42 124.79 2x4h h ASP 109 Ca 0.00 -0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.65 2x4h h ASP 109 Cb 0.78 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 2x4h h ASP 109 CO 0.00 0.86 0.00 0.10 -2.04 0.00 0.00 179.24 178.16 2x4h h TYR 110 N 1.06 0.00 -0.00 4.15 -0.00 -1.85 -2.95 116.97 117.37 2x4h h TYR 110 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.99 2x4h h TYR 110 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.87 2x4h h TYR 110 CO 0.01 0.00 -0.35 1.28 -0.00 0.00 0.00 178.16 179.10 2x4h n LEU 111 N -2.90 0.61 -4.69 0.10 4.77 -0.55 -4.92 117.00 109.41 2x4h n LEU 111 Ca 0.00 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 2x4h n LEU 111 Cb 0.24 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2x4h n LEU 111 CO 0.24 0.13 0.52 -0.63 -1.33 0.00 0.00 177.39 176.31 2x4h s ILE 112 N -2.81 4.96 0.40 -0.08 -1.09 -1.12 -5.00 121.20 116.47 2x4h s ILE 112 Ca 0.17 1.58 -0.24 0.00 -2.23 0.00 0.00 60.65 59.93 2x4h s ILE 112 Cb 0.18 -4.11 -0.12 0.00 -1.58 0.00 0.00 42.46 36.84 2x4h s ILE 112 CO 0.61 0.15 0.89 -2.65 -1.23 0.00 0.00 174.94 172.70 2x4h n PRO 113 N 4.42 1.12 -0.23 2.79 -0.02 -1.26 -4.79 135.00 137.03 2x4h n PRO 113 Ca 0.02 0.40 -0.06 0.00 -2.02 0.00 0.00 63.50 61.84 2x4h n PRO 113 Cb 0.50 -1.86 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 2x4h n PRO 113 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x4h h GLU 114 N 1.40 0.88 -0.91 -0.52 4.81 -1.99 -1.66 114.58 116.59 2x4h h GLU 114 Ca -0.42 -0.09 0.23 0.00 -0.13 0.00 0.00 59.36 58.95 2x4h h GLU 114 Cb 1.36 -0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 2x4h h GLU 114 CO 0.56 0.64 0.41 1.49 -0.73 0.00 0.00 179.01 181.38 2x4h h GLU 115 N 0.87 0.38 -0.34 1.92 4.81 -1.99 -0.19 114.58 120.04 2x4h h GLU 115 Ca 0.23 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2x4h h GLU 115 Cb -0.00 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2x4h h GLU 115 CO -0.04 0.25 -0.14 0.82 -0.73 0.00 0.00 179.01 179.17 2x4h h ILE 116 N 0.40 1.29 -0.37 2.32 2.04 -1.66 -0.07 117.51 121.46 2x4h h ILE 116 Ca 0.58 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2x4h h ILE 116 Cb 1.11 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2x4h h ILE 116 CO -0.54 0.40 0.18 0.40 0.00 0.00 0.00 178.15 178.59 2x4h h ILE 117 N 0.48 1.17 -0.18 -0.67 1.08 -0.99 0.13 117.51 118.53 2x4h h ILE 117 Ca 0.08 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 64.07 2x4h h ILE 117 Cb 0.67 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2x4h h ILE 117 CO 0.05 0.18 0.10 0.44 -0.69 0.00 0.00 178.15 178.22 2x4h h ASP 118 N 0.46 0.16 0.11 1.72 3.32 -0.93 0.50 116.42 121.75 2x4h h ASP 118 Ca 0.13 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 2x4h h ASP 118 Cb 0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2x4h h ASP 118 CO -0.02 0.12 -0.39 0.11 -1.72 0.00 0.00 179.24 177.34 2x4h h LYS 119 N 0.21 0.38 -0.55 3.56 1.79 -0.84 -1.98 116.57 119.13 2x4h h LYS 119 Ca 0.07 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.30 2x4h h LYS 119 Cb 0.00 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2x4h h LYS 119 CO -0.04 0.71 0.11 -0.07 -1.08 0.00 0.00 179.45 179.08 2x4h h LEU 120 N 0.32 0.86 0.04 2.94 3.38 -0.42 0.13 115.31 122.56 2x4h h LEU 120 Ca 0.03 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2x4h h LEU 120 Cb 0.82 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2x4h h LEU 120 CO 0.07 0.89 -0.32 0.22 0.09 0.00 0.00 178.44 179.39 2x4h h TYR 121 N 0.80 -0.87 -0.08 1.13 3.20 -0.62 0.17 116.97 120.71 2x4h h TYR 121 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2x4h h TYR 121 Cb 0.38 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2x4h h TYR 121 CO 0.03 -0.41 0.04 -0.91 -1.64 0.00 0.00 178.16 175.27 2x4h h ASN 122 N -0.49 0.07 -0.75 -2.11 2.35 -1.27 -1.09 115.58 112.28 2x4h h ASN 122 Ca 0.05 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.96 2x4h h ASN 122 Cb 0.56 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 2x4h h ASN 122 CO -0.23 0.05 0.51 0.22 -1.65 0.00 0.00 177.43 176.33 2x4h h TYR 123 N 0.09 0.41 -0.06 1.19 3.20 -0.38 -0.64 116.97 120.78 2x4h h TYR 123 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2x4h h TYR 123 Cb -0.00 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2x4h h TYR 123 CO -0.08 0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.87 2x4h n LEU 124 N -4.46 1.01 0.00 2.82 4.77 0.58 -4.90 117.00 116.82 2x4h n LEU 124 Ca 0.15 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2x4h n LEU 124 Cb 0.58 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2x4h n LEU 124 CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2x4h n GLY 125 N 1.06 1.09 3.54 -0.72 0.00 -0.25 -4.41 105.19 105.50 2x4h n GLY 125 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2x4h n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x4h n LYS 126 N -1.64 -2.99 -2.23 1.61 5.02 -0.45 -4.88 118.16 112.60 2x4h n LYS 126 Ca 0.00 0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 2x4h n LYS 126 Cb 0.00 -5.08 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 2x4h n LYS 126 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x4h s PRO 127 N -5.45 4.38 0.41 1.97 0.04 -1.26 -4.93 135.00 130.16 2x4h s PRO 127 Ca 0.30 2.02 0.26 0.00 0.04 0.00 0.00 61.00 63.62 2x4h s PRO 127 Cb -0.07 -3.22 0.67 0.00 0.04 0.00 0.00 34.50 31.92 2x4h s PRO 127 CO 0.80 -0.28 1.72 0.77 0.04 0.00 0.00 177.00 180.05 2x4h h SER 128 N 5.77 0.00 -5.06 6.66 0.02 -1.89 -3.42 113.55 115.62 2x4h h SER 128 Ca -0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.38 2x4h h SER 128 Cb 1.21 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 2x4h h SER 128 CO 0.79 0.00 -0.55 -0.31 -1.14 0.00 0.00 176.83 175.62 2x4h s TYR 129 N -3.29 0.19 0.79 3.45 2.02 -1.26 -1.45 117.35 117.81 2x4h s TYR 129 Ca 0.06 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 56.24 2x4h s TYR 129 Cb 0.07 -0.14 0.14 0.00 -0.40 0.00 0.00 41.96 41.63 2x4h s TYR 129 CO 0.61 -0.33 1.09 0.00 -1.57 0.00 0.00 175.55 175.35 2x4h h PRO 131 N -0.85 0.00 -0.48 0.00 0.11 -1.89 -1.39 132.00 127.50 2x4h h PRO 131 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2x4h h PRO 131 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2x4h h PRO 131 CO 0.41 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.92 2x4h n HIS 132 N -2.31 0.65 -0.87 0.65 8.25 -1.26 -4.93 115.22 115.39 2x4h n HIS 132 Ca 0.01 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2x4h n HIS 132 Cb 0.17 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2x4h n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x4h n GLY 133 N 1.24 0.93 3.79 -1.41 0.00 -0.52 -5.03 105.19 104.19 2x4h n GLY 133 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2x4h n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4h s LEU 134 N 0.00 4.49 0.58 0.99 1.43 -1.26 -4.73 118.68 120.17 2x4h s LEU 134 Ca 0.00 1.58 -0.19 0.00 -1.03 0.00 0.00 54.13 54.49 2x4h s LEU 134 Cb 0.00 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2x4h s LEU 134 CO 0.00 0.13 1.18 -1.61 0.23 0.00 0.00 176.35 176.28 2x4h s GLU 135 N -1.50 3.09 -0.25 1.70 2.02 -1.26 -0.25 118.70 122.24 2x4h s GLU 135 Ca 0.39 1.75 -0.06 0.00 0.02 0.00 0.00 54.97 57.07 2x4h s GLU 135 Cb -0.20 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 2x4h s GLU 135 CO 0.24 -1.09 0.03 0.42 0.02 0.00 0.00 175.26 174.88 2x4h s ILE 136 N -1.67 3.83 0.92 -1.63 1.01 -0.53 -4.76 121.20 118.39 2x4h s ILE 136 Ca 0.76 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 2x4h s ILE 136 Cb -0.28 -2.84 0.15 0.00 0.01 0.00 0.00 42.46 39.50 2x4h s ILE 136 CO 0.31 0.28 1.12 -2.84 0.00 0.00 0.00 174.94 173.81 2x4h s PRO 137 N 1.52 0.96 0.00 2.79 0.02 -1.26 -4.85 135.00 134.18 2x4h s PRO 137 Ca 0.05 1.35 0.03 0.00 0.02 0.00 0.00 61.00 62.45 2x4h s PRO 137 Cb -0.15 -1.74 0.17 0.00 0.02 0.00 0.00 34.50 32.80 2x4h s PRO 137 CO 0.01 -2.60 0.66 1.28 -0.33 0.00 0.00 177.00 176.01