#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1o s LYS 3 N 0.00 2.01 -0.03 0.00 1.02 -1.26 0.12 119.74 121.60 1i1o s LYS 3 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.53 1i1o s LYS 3 Cb 0.00 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.68 1i1o s LYS 3 CO 0.00 0.05 -0.18 0.00 -0.92 0.00 0.00 175.35 174.29 1i1o s ALA 4 N 0.64 1.57 -0.11 5.17 0.00 0.33 -0.39 121.76 128.97 1i1o s ALA 4 Ca -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1i1o s ALA 4 Cb -0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1i1o s ALA 4 CO 0.04 0.33 -0.12 -1.17 0.00 0.00 0.00 175.76 174.85 1i1o s LEU 5 N -0.19 2.83 -0.20 0.00 2.96 -0.78 -0.35 118.68 122.94 1i1o s LEU 5 Ca 0.01 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1i1o s LEU 5 Cb -0.10 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 45.00 1i1o s LEU 5 CO 0.01 0.21 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.50 1i1o s ILE 6 N 0.06 1.79 -0.19 6.68 1.01 -0.03 -1.10 121.20 129.42 1i1o s ILE 6 Ca -0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 1i1o s ILE 6 Cb -0.14 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1i1o s ILE 6 CO 0.04 0.22 -0.13 -0.69 0.00 0.00 0.00 174.94 174.38 1i1o s VAL 7 N 1.34 2.70 0.03 2.92 1.01 -0.82 0.80 120.40 128.38 1i1o s VAL 7 Ca -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1i1o s VAL 7 Cb -0.16 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1i1o s VAL 7 CO -0.09 0.49 -0.08 -0.72 0.00 0.00 0.00 175.10 174.70 1i1o s TYR 8 N 1.27 0.72 -0.26 5.22 -0.85 -0.43 -0.77 117.35 122.26 1i1o s TYR 8 Ca 0.03 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.20 1i1o s TYR 8 Cb -0.14 -0.43 0.06 0.00 0.38 0.00 0.00 41.96 41.82 1i1o s TYR 8 CO -0.07 -0.05 -0.10 0.20 -1.52 0.00 0.00 175.55 174.02 1i1o s GLY 9 N -1.25 1.66 -0.06 5.49 0.00 -0.84 -0.13 107.32 112.19 1i1o s GLY 9 Ca -0.06 -1.74 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 1i1o s GLY 9 CO 0.00 0.61 0.16 -0.45 0.00 0.00 0.00 173.10 173.42 1i1o s SER 10 N 1.14 -0.16 -0.27 1.64 0.15 -1.26 -2.89 113.70 112.05 1i1o s SER 10 Ca -0.08 0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.82 1i1o s SER 10 Cb -0.20 0.31 -0.14 0.00 -1.71 0.00 0.00 66.02 64.29 1i1o s SER 10 CO -0.05 -0.06 -0.30 0.41 1.20 0.00 0.00 173.24 174.44 1i1o n THR 11 N 3.12 1.48 0.91 6.45 -1.04 -1.26 -4.60 114.28 119.33 1i1o n THR 11 Ca -0.14 -0.45 0.11 0.00 -2.04 0.00 0.00 64.05 61.53 1i1o n THR 11 Cb 0.58 -1.68 0.06 0.00 -1.82 0.00 0.00 70.33 67.47 1i1o n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1i1o n THR 12 N -3.83 0.00 -0.34 12.58 -2.24 -1.26 -4.97 114.28 114.21 1i1o n THR 12 Ca -0.50 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1i1o n THR 12 Cb 0.92 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.53 1i1o n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i1o n GLY 13 N 1.26 0.79 0.37 3.38 0.00 -1.26 -5.01 105.19 104.71 1i1o n GLY 13 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1i1o n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1i1o h ASN 14 N 0.00 -0.75 -0.79 1.61 2.35 -1.93 -2.12 115.58 113.94 1i1o h ASN 14 Ca 0.00 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1i1o h ASN 14 Cb 0.00 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 1i1o h ASN 14 CO 0.00 -0.42 0.52 0.74 -1.65 0.00 0.00 177.43 176.62 1i1o h THR 15 N -1.09 1.14 -0.02 2.81 2.02 -1.94 -2.17 112.91 113.67 1i1o h THR 15 Ca -0.09 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1i1o h THR 15 Cb 0.72 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1i1o h THR 15 CO 0.15 0.18 0.01 -0.08 0.37 0.00 0.00 175.52 176.15 1i1o h GLU 16 N 1.00 0.02 -0.88 6.66 4.81 -1.87 0.96 114.58 125.28 1i1o h GLU 16 Ca 0.31 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.63 1i1o h GLU 16 Cb 0.00 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1i1o h GLU 16 CO -0.08 0.05 0.52 -0.92 -0.73 0.00 0.00 179.01 177.85 1i1o h TYR 17 N -0.01 0.95 -0.21 0.92 3.20 -0.88 -2.07 116.97 118.87 1i1o h TYR 17 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1i1o h TYR 17 Cb 0.03 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1i1o h TYR 17 CO -0.07 0.40 0.10 1.15 -1.64 0.00 0.00 178.16 178.11 1i1o h THR 18 N 0.87 1.13 -0.56 1.81 2.02 -1.04 -2.43 112.91 114.71 1i1o h THR 18 Ca 0.42 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1i1o h THR 18 Cb 0.37 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1i1o h THR 18 CO -0.24 0.13 0.33 0.00 0.37 0.00 0.00 175.52 176.10 1i1o h ALA 19 N 0.97 0.73 0.00 6.16 0.00 -0.29 -2.18 119.26 124.64 1i1o h ALA 19 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1i1o h ALA 19 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1i1o h ALA 19 CO -0.01 0.03 -0.19 0.93 0.00 0.00 0.00 179.25 180.01 1i1o h GLU 20 N 0.64 0.00 -0.18 0.00 5.08 -1.34 -2.16 114.58 116.63 1i1o h GLU 20 Ca 0.23 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1i1o h GLU 20 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1i1o h GLU 20 CO -0.12 0.19 -0.33 1.15 -1.00 0.00 0.00 179.01 178.90 1i1o h THR 21 N 0.00 1.34 -0.17 1.13 2.02 -1.05 -2.99 112.91 113.20 1i1o h THR 21 Ca -0.00 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1i1o h THR 21 Cb 0.83 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1i1o h THR 21 CO 0.03 0.48 0.11 0.40 0.37 0.00 0.00 175.52 176.90 1i1o h ILE 22 N 0.19 1.03 -0.52 3.11 2.04 -1.24 -2.76 117.51 119.37 1i1o h ILE 22 Ca 0.01 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1i1o h ILE 22 Cb 0.93 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1i1o h ILE 22 CO 0.07 0.04 0.33 0.00 0.00 0.00 0.00 178.15 178.60 1i1o h ALA 23 N 1.07 0.66 -0.96 1.87 0.00 -1.46 -1.43 119.26 119.01 1i1o h ALA 23 Ca 0.06 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1i1o h ALA 23 Cb -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.50 1i1o h ALA 23 CO -0.02 0.07 0.59 0.00 0.00 0.00 0.00 179.25 179.89 1i1o h ARG 24 N 0.67 0.92 -0.12 0.00 2.47 -1.40 0.13 114.38 117.05 1i1o h ARG 24 Ca 0.19 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1i1o h ARG 24 Cb -0.05 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 1i1o h ARG 24 CO -0.06 0.61 0.07 1.49 0.56 0.00 0.00 179.97 182.64 1i1o h GLU 25 N 0.95 0.16 -0.33 0.04 4.22 -1.01 -1.88 114.58 116.73 1i1o h GLU 25 Ca 0.47 -0.02 -0.15 0.00 0.08 0.00 0.00 59.36 59.74 1i1o h GLU 25 Cb 0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1i1o h GLU 25 CO -0.26 0.17 -0.40 -0.07 -2.18 0.00 0.00 179.01 176.27 1i1o h LEU 26 N 0.12 0.85 -1.25 1.64 3.38 -0.65 -2.40 115.31 116.99 1i1o h LEU 26 Ca 0.04 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 1i1o h LEU 26 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1i1o h LEU 26 CO -0.01 1.14 -0.35 0.00 0.09 0.00 0.00 178.44 179.31 1i1o h ALA 27 N 0.90 1.25 -0.15 1.53 0.00 -0.73 -0.76 119.26 121.30 1i1o h ALA 27 Ca 0.05 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1i1o h ALA 27 Cb 0.96 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1i1o h ALA 27 CO 0.09 0.44 -0.77 -0.44 0.00 0.00 0.00 179.25 178.57 1i1o h ASP 28 N 0.00 0.90 0.53 0.00 3.45 -1.16 -3.11 116.42 117.02 1i1o h ASP 28 Ca -0.00 -0.59 0.00 0.00 0.43 0.00 0.00 57.03 56.87 1i1o h ASP 28 Cb 0.69 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1i1o h ASP 28 CO 0.05 1.38 0.00 0.00 -1.57 0.00 0.00 179.24 179.10 1i1o n ALA 29 N -2.60 1.98 0.00 3.45 0.00 -0.92 -4.88 120.51 117.54 1i1o n ALA 29 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1i1o n ALA 29 Cb 0.74 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1i1o n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1o n GLY 30 N 0.49 0.83 3.84 0.00 0.00 -1.10 -5.09 105.19 104.16 1i1o n GLY 30 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1i1o n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1o s TYR 31 N -2.00 3.40 -0.25 1.61 2.02 -0.32 -4.95 117.35 116.86 1i1o s TYR 31 Ca 0.00 1.46 -0.16 0.00 -0.37 0.00 0.00 57.07 58.00 1i1o s TYR 31 Cb 0.00 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.71 1i1o s TYR 31 CO 0.00 -0.48 0.42 -2.00 -1.57 0.00 0.00 175.55 171.92 1i1o s GLU 32 N -4.14 4.06 0.04 -0.62 2.12 0.32 -4.18 118.70 116.31 1i1o s GLU 32 Ca 0.59 0.15 0.06 0.00 0.36 0.00 0.00 54.97 56.14 1i1o s GLU 32 Cb -0.11 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 1i1o s GLU 32 CO 0.33 -0.25 -0.13 0.08 -0.54 0.00 0.00 175.26 174.76 1i1o s VAL 33 N 1.97 3.17 -0.13 3.70 1.01 -1.26 -0.51 120.40 128.35 1i1o s VAL 33 Ca 0.18 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1i1o s VAL 33 Cb -0.16 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1i1o s VAL 33 CO 0.09 0.30 0.01 -0.62 0.00 0.00 0.00 175.10 174.88 1i1o s ASP 34 N -1.61 2.24 -0.17 3.32 -1.08 0.53 -4.97 116.67 114.92 1i1o s ASP 34 Ca 0.17 -0.43 -0.06 0.00 -0.52 0.00 0.00 52.55 51.70 1i1o s ASP 34 Cb -0.11 -0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 40.76 1i1o s ASP 34 CO 0.08 -0.24 0.03 -0.44 0.52 0.00 0.00 175.17 175.12 1i1o s SER 35 N 1.89 5.35 -0.02 -0.34 0.01 -1.26 -0.85 113.70 118.49 1i1o s SER 35 Ca 0.02 0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.31 1i1o s SER 35 Cb -0.14 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.19 1i1o s SER 35 CO -0.07 0.17 -0.04 -0.13 0.41 0.00 0.00 173.24 173.59 1i1o s ARG 36 N 0.37 0.45 0.08 12.44 0.52 0.24 -4.98 118.95 128.07 1i1o s ARG 36 Ca 0.01 -0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 1i1o s ARG 36 Cb -0.13 -0.48 -0.06 0.00 0.52 0.00 0.00 34.95 34.80 1i1o s ARG 36 CO 0.01 0.01 1.17 0.34 0.02 0.00 0.00 175.30 176.86 1i1o s ASP 37 N 0.34 7.12 0.40 0.23 3.68 -1.26 -1.31 116.67 125.87 1i1o s ASP 37 Ca -0.04 2.02 0.14 0.00 2.13 0.00 0.00 52.55 56.80 1i1o s ASP 37 Cb -0.07 -2.58 0.98 0.00 -1.45 0.00 0.00 42.92 39.80 1i1o s ASP 37 CO -0.00 -0.42 1.88 0.00 0.13 0.00 0.00 175.17 176.76 1i1o h ALA 38 N 6.47 2.04 -0.68 3.66 0.00 -0.83 0.80 119.26 130.72 1i1o h ALA 38 Ca -0.42 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.65 1i1o h ALA 38 Cb 1.21 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1i1o h ALA 38 CO 0.79 -0.28 0.46 0.00 0.00 0.00 0.00 179.25 180.22 1i1o h ALA 39 N 1.62 2.22 -0.00 0.00 0.00 -1.81 -2.66 119.26 118.63 1i1o h ALA 39 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1i1o h ALA 39 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1i1o h ALA 39 CO -0.17 -0.41 -0.31 -1.13 0.00 0.00 0.00 179.25 177.24 1i1o n SER 40 N -4.45 0.77 -4.69 0.00 3.41 0.27 -4.98 113.62 103.95 1i1o n SER 40 Ca 0.13 -0.62 -0.24 0.00 -0.26 0.00 0.00 58.87 57.87 1i1o n SER 40 Cb 0.54 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 1i1o n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1i1o s VAL 41 N -2.66 2.58 -0.02 -3.33 -7.23 -1.01 -5.03 120.40 103.69 1i1o s VAL 41 Ca 0.20 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1i1o s VAL 41 Cb 0.19 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1i1o s VAL 41 CO 0.57 -0.11 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.50 1i1o s GLU 42 N -3.82 1.27 0.52 4.82 2.02 -1.26 -5.00 118.70 117.26 1i1o s GLU 42 Ca 0.38 -0.48 0.25 0.00 0.02 0.00 0.00 54.97 55.14 1i1o s GLU 42 Cb 0.01 -1.17 1.37 0.00 0.10 0.00 0.00 34.13 34.44 1i1o s GLU 42 CO 0.21 0.23 1.96 0.00 0.02 0.00 0.00 175.26 177.69 1i1o h ALA 43 N 6.08 2.52 -1.82 5.21 0.00 -1.91 -3.40 119.26 125.94 1i1o h ALA 43 Ca -0.34 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.00 1i1o h ALA 43 Cb 1.17 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1i1o h ALA 43 CO 0.48 -0.70 1.40 0.20 0.00 0.00 0.00 179.25 180.64 1i1o s GLY 44 N -3.98 0.47 -1.43 0.00 0.00 -1.26 -3.00 107.32 98.11 1i1o s GLY 44 Ca -0.05 0.28 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 1i1o s GLY 44 CO 0.74 3.57 1.10 0.61 0.00 0.00 0.00 173.10 179.12 1i1o n GLY 45 N 5.64 -0.52 0.27 0.20 0.00 -0.22 -4.92 105.19 105.63 1i1o n GLY 45 Ca 0.27 0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 1i1o n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i1o h LEU 46 N -2.44 0.52 0.00 0.99 5.85 -1.41 -2.67 115.31 116.15 1i1o h LEU 46 Ca -0.57 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.04 1i1o h LEU 46 Cb 1.37 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1i1o h LEU 46 CO 0.61 0.60 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.95 1i1o h PHE 47 N 0.52 0.00 -1.98 1.25 0.04 -1.34 -3.47 116.94 111.97 1i1o h PHE 47 Ca 0.11 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.25 1i1o h PHE 47 Cb 0.37 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.56 1i1o h PHE 47 CO 0.01 0.00 0.86 0.39 -0.60 0.00 0.00 178.31 178.97 1i1o n GLU 48 N -2.33 1.85 -0.46 1.51 -0.58 -1.01 -2.18 120.64 117.44 1i1o n GLU 48 Ca 0.05 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1i1o n GLU 48 Cb 0.44 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 1i1o n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i1o n GLY 49 N 3.72 0.76 3.47 0.62 0.00 -1.26 -5.07 105.19 107.43 1i1o n GLY 49 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1i1o n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i1o s PHE 50 N -2.17 2.93 0.18 1.61 0.40 -0.93 -4.86 117.98 115.16 1i1o s PHE 50 Ca 0.00 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1i1o s PHE 50 Cb 0.00 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1i1o s PHE 50 CO 0.00 -0.02 1.42 -0.44 0.70 0.00 0.00 175.22 176.87 1i1o h ASP 51 N 6.42 0.19 -3.96 1.36 5.19 -1.04 -3.45 116.42 121.13 1i1o h ASP 51 Ca -0.33 -0.15 -0.17 0.00 -0.62 0.00 0.00 57.03 55.76 1i1o h ASP 51 Cb 1.19 -0.06 -0.25 0.00 0.18 0.00 0.00 39.33 40.39 1i1o h ASP 51 CO 0.58 0.93 -0.48 -0.22 -3.12 0.00 0.00 179.24 176.94 1i1o s LEU 52 N -7.43 1.26 -0.06 1.55 2.96 -0.93 -4.38 118.68 111.64 1i1o s LEU 52 Ca -0.02 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 1i1o s LEU 52 Cb 0.11 0.70 -0.00 0.00 0.50 0.00 0.00 46.19 47.49 1i1o s LEU 52 CO 0.81 -0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.85 1i1o s VAL 53 N -0.08 1.63 -0.19 1.68 1.01 -0.50 -1.87 120.40 122.08 1i1o s VAL 53 Ca -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1i1o s VAL 53 Cb -0.02 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1i1o s VAL 53 CO 0.01 0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 174.67 1i1o s LEU 54 N 0.17 2.40 -0.16 3.92 1.43 -0.26 -2.06 118.68 124.13 1i1o s LEU 54 Ca -0.09 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1i1o s LEU 54 Cb -0.14 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1i1o s LEU 54 CO 0.04 -0.00 -0.11 -0.76 0.23 0.00 0.00 176.35 175.75 1i1o s LEU 55 N 1.34 2.77 0.03 1.79 1.43 -0.64 -1.95 118.68 123.45 1i1o s LEU 55 Ca 0.05 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1i1o s LEU 55 Cb -0.14 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1i1o s LEU 55 CO -0.09 0.11 -0.15 -0.83 0.23 0.00 0.00 176.35 175.62 1i1o s GLY 56 N 0.70 0.80 -0.05 -3.19 0.00 0.05 -1.64 107.32 103.99 1i1o s GLY 56 Ca -0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 43.68 1i1o s GLY 56 CO 0.02 -0.76 0.42 0.00 0.00 0.00 0.00 173.10 172.78 1i1o s SER 58 N -1.00 5.81 -0.11 0.00 1.04 -1.14 -3.84 113.70 114.45 1i1o s SER 58 Ca -0.10 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1i1o s SER 58 Cb -0.04 -1.74 -0.02 0.00 0.10 0.00 0.00 66.02 64.33 1i1o s SER 58 CO 0.05 -0.83 -0.12 -0.89 0.98 0.00 0.00 173.24 172.42 1i1o s THR 59 N -2.77 3.17 0.00 2.02 2.01 -1.24 -2.66 115.64 116.16 1i1o s THR 59 Ca 0.50 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1i1o s THR 59 Cb -0.10 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1i1o s THR 59 CO 0.42 0.54 0.00 0.79 -0.69 0.00 0.00 174.62 175.68 1i1o n TRP 60 N 3.21 0.00 0.00 4.92 7.02 0.97 -4.97 117.44 128.59 1i1o n TRP 60 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1i1o n TRP 60 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1i1o n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1i1o n GLY 61 N 2.20 2.30 0.09 6.99 0.00 -1.26 -2.17 105.19 113.33 1i1o n GLY 61 Ca 0.00 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 1i1o n GLY 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i1o h ASP 62 N 0.00 0.09 0.00 1.61 3.32 -1.99 -3.42 116.42 116.02 1i1o h ASP 62 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1i1o h ASP 62 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1i1o h ASP 62 CO 0.00 1.26 -0.01 0.47 -1.72 0.00 0.00 179.24 179.24 1i1o n ASP 63 N -4.43 1.06 -3.69 6.45 9.92 -1.26 -5.07 116.55 119.52 1i1o n ASP 63 Ca -0.19 -1.56 -0.09 0.00 -0.53 0.00 0.00 54.79 52.41 1i1o n ASP 63 Cb 0.62 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 41.06 1i1o n ASP 63 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1i1o s SER 64 N -0.58 -0.36 -0.07 -2.24 1.04 -1.26 -5.13 113.70 105.10 1i1o s SER 64 Ca 0.01 -0.38 -0.28 0.00 0.48 0.00 0.00 55.95 55.78 1i1o s SER 64 Cb 0.01 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 1i1o s SER 64 CO 0.00 -1.14 0.90 -0.63 0.98 0.00 0.00 173.24 173.35 1i1o s ILE 65 N -3.85 4.89 0.10 -1.02 1.01 -1.26 -4.16 121.20 116.91 1i1o s ILE 65 Ca 0.07 1.84 0.06 0.00 0.00 0.00 0.00 60.65 62.62 1i1o s ILE 65 Cb -0.03 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1i1o s ILE 65 CO -0.02 0.13 -0.14 -1.61 0.00 0.00 0.00 174.94 173.29 1i1o s GLU 66 N 1.37 0.94 0.46 2.79 2.02 -0.92 -4.96 118.70 120.39 1i1o s GLU 66 Ca 0.46 -1.12 -0.05 0.00 0.02 0.00 0.00 54.97 54.28 1i1o s GLU 66 Cb -0.19 -0.88 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 1i1o s GLU 66 CO 0.21 0.18 0.76 -0.51 0.02 0.00 0.00 175.26 175.92 1i1o s LEU 67 N -2.15 3.67 0.34 1.80 1.02 -1.26 -0.02 118.68 122.08 1i1o s LEU 67 Ca 0.04 0.89 -0.29 0.00 0.02 0.00 0.00 54.13 54.80 1i1o s LEU 67 Cb -0.07 -3.84 -0.11 0.00 0.02 0.00 0.00 46.19 42.20 1i1o s LEU 67 CO 0.03 -0.54 1.42 -1.58 0.02 0.00 0.00 176.35 175.69 1i1o s GLN 68 N -4.66 4.23 0.24 1.70 -0.44 -1.09 -4.71 119.66 114.93 1i1o s GLN 68 Ca 0.47 2.40 -0.14 0.00 -2.50 0.00 0.00 55.36 55.59 1i1o s GLN 68 Cb -0.10 -3.03 0.30 0.00 -1.64 0.00 0.00 33.01 28.54 1i1o s GLN 68 CO 0.43 -0.39 1.58 -0.44 0.50 0.00 0.00 175.29 176.97 1i1o h ASP 69 N 3.56 -1.00 -0.17 6.67 3.32 -1.96 -1.19 116.42 125.66 1i1o h ASP 69 Ca -0.49 0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1i1o h ASP 69 Cb 1.23 0.59 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 1i1o h ASP 69 CO 0.68 -0.29 0.08 0.44 -1.72 0.00 0.00 179.24 178.43 1i1o h ASP 70 N -0.03 0.25 0.34 6.45 3.32 -1.94 -3.23 116.42 121.58 1i1o h ASP 70 Ca 0.37 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 57.09 1i1o h ASP 70 Cb 0.61 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.13 1i1o h ASP 70 CO -0.87 0.23 -1.38 0.15 -1.72 0.00 0.00 179.24 175.64 1i1o h PHE 71 N 0.28 0.86 -0.76 4.55 3.04 -1.55 -3.38 116.94 119.99 1i1o h PHE 71 Ca 0.07 -0.61 0.12 0.00 3.98 0.00 0.00 57.97 61.52 1i1o h PHE 71 Cb 0.06 -0.04 -0.12 0.00 2.56 0.00 0.00 35.95 38.41 1i1o h PHE 71 CO 0.00 1.47 -0.31 -0.89 -2.02 0.00 0.00 178.31 176.57 1i1o n ILE 72 N -3.68 -0.41 -0.26 1.41 5.41 -1.06 -0.66 119.36 120.11 1i1o n ILE 72 Ca -0.14 1.79 -0.02 0.00 1.00 0.00 0.00 62.75 65.38 1i1o n ILE 72 Cb 1.07 -2.35 0.10 0.00 -0.71 0.00 0.00 39.64 37.74 1i1o n ILE 72 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1i1o h PRO 73 N 0.00 0.83 -0.09 0.38 0.11 -1.78 0.17 132.00 131.62 1i1o h PRO 73 Ca 0.26 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1i1o h PRO 73 Cb 0.45 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1i1o h PRO 73 CO -0.75 0.55 0.02 1.25 -0.21 0.00 0.00 178.00 178.85 1i1o h LEU 74 N 0.86 0.14 -0.37 2.35 5.85 -1.13 -2.67 115.31 120.34 1i1o h LEU 74 Ca 0.31 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1i1o h LEU 74 Cb 0.09 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1i1o h LEU 74 CO -0.14 0.35 0.02 0.15 -0.34 0.00 0.00 178.44 178.49 1i1o h PHE 75 N -0.08 0.03 -0.91 1.25 3.04 -0.77 -1.32 116.94 118.19 1i1o h PHE 75 Ca 0.03 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.12 1i1o h PHE 75 Cb 0.27 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.75 1i1o h PHE 75 CO 0.01 -0.04 0.58 -0.44 -2.02 0.00 0.00 178.31 176.40 1i1o h ASP 76 N 0.13 0.77 -0.28 0.41 3.45 -0.58 -2.82 116.42 117.50 1i1o h ASP 76 Ca 0.18 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.54 1i1o h ASP 76 Cb 0.23 -0.12 -0.08 0.00 -0.56 0.00 0.00 39.33 38.80 1i1o h ASP 76 CO -0.28 0.42 -0.13 -1.20 -1.57 0.00 0.00 179.24 176.49 1i1o n SER 77 N -4.55 2.49 0.32 6.45 7.64 -0.97 -4.77 113.62 120.23 1i1o n SER 77 Ca 0.16 -3.70 0.19 0.00 1.01 0.00 0.00 58.87 56.54 1i1o n SER 77 Cb 0.37 -0.60 1.01 0.00 -1.01 0.00 0.00 64.21 63.98 1i1o n SER 77 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1i1o h LEU 78 N 1.03 0.00 -1.63 -3.43 5.85 -0.98 -0.38 115.31 115.77 1i1o h LEU 78 Ca 0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1i1o h LEU 78 Cb 1.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1i1o h LEU 78 CO 0.30 0.00 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.93 1i1o h GLU 79 N 0.00 0.00 -0.20 1.25 3.07 -1.86 -3.03 114.58 113.81 1i1o h GLU 79 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1i1o h GLU 79 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1i1o h GLU 79 CO -0.00 0.14 0.00 0.39 -1.40 0.00 0.00 179.01 178.14 1i1o n GLU 80 N -3.44 2.12 0.12 2.33 1.02 -0.15 -4.46 120.64 118.17 1i1o n GLU 80 Ca -0.01 -1.67 0.04 0.00 -0.02 0.00 0.00 57.16 55.51 1i1o n GLU 80 Cb 0.31 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 1i1o n GLU 80 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1i1o h THR 81 N 3.54 0.54 -0.42 2.62 1.35 -1.55 -0.58 112.91 118.41 1i1o h THR 81 Ca 0.00 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1i1o h THR 81 Cb 0.77 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1i1o h THR 81 CO 0.00 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1i1o n GLY 82 N 1.24 0.56 0.12 5.82 0.00 -1.26 -0.92 105.19 110.74 1i1o n GLY 82 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1i1o n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1o h ALA 83 N 0.00 0.64 -1.97 4.61 0.00 -1.87 -3.43 119.26 117.24 1i1o h ALA 83 Ca 0.00 -0.54 -0.62 0.00 0.00 0.00 0.00 54.91 53.75 1i1o h ALA 83 Cb 0.23 0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1i1o h ALA 83 CO 0.00 0.62 1.12 1.04 0.00 0.00 0.00 179.25 182.02 1i1o n GLN 84 N -2.94 2.08 -0.92 0.00 1.13 -1.25 -1.74 117.38 113.75 1i1o n GLN 84 Ca -0.04 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 1i1o n GLN 84 Cb 0.74 -2.63 0.00 0.00 0.11 0.00 0.00 30.24 28.46 1i1o n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i1o n GLY 85 N 4.52 0.45 3.83 1.08 0.00 0.16 -4.91 105.19 110.31 1i1o n GLY 85 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1i1o n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i1o s ARG 86 N -0.59 4.14 -0.26 1.61 6.06 -0.71 -4.72 118.95 124.48 1i1o s ARG 86 Ca 0.00 0.76 -0.17 0.00 -2.50 0.00 0.00 55.73 53.82 1i1o s ARG 86 Cb 0.00 -2.75 -0.03 0.00 0.06 0.00 0.00 34.95 32.23 1i1o s ARG 86 CO 0.00 0.33 0.49 0.15 -2.50 0.00 0.00 175.30 173.77 1i1o s LYS 87 N -2.28 4.06 0.24 5.12 1.02 -1.26 0.11 119.74 126.75 1i1o s LYS 87 Ca 0.46 0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.76 1i1o s LYS 87 Cb -0.14 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 1i1o s LYS 87 CO 0.20 -0.33 -0.02 0.14 -0.92 0.00 0.00 175.35 174.42 1i1o s VAL 88 N 2.24 1.19 -0.14 3.17 -7.23 -0.39 -1.41 120.40 117.83 1i1o s VAL 88 Ca 0.20 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1i1o s VAL 88 Cb -0.16 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.48 1i1o s VAL 88 CO 0.09 -0.33 0.56 0.00 -0.31 0.00 0.00 175.10 175.11 1i1o s ALA 89 N -3.31 -1.41 0.25 1.32 0.00 -0.87 -1.93 121.76 115.80 1i1o s ALA 89 Ca 0.28 1.34 0.12 0.00 0.00 0.00 0.00 51.96 53.69 1i1o s ALA 89 Cb 0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1i1o s ALA 89 CO 0.09 -0.30 -0.21 0.00 0.00 0.00 0.00 175.76 175.34 1i1o s PHE 91 N -2.26 -0.23 0.00 0.00 -0.12 -0.65 -1.48 117.98 113.24 1i1o s PHE 91 Ca 0.27 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.02 1i1o s PHE 91 Cb -0.06 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1i1o s PHE 91 CO 0.13 -1.06 0.00 0.41 -0.05 0.00 0.00 175.22 174.65 1i1o n GLY 92 N -0.41 0.84 3.72 1.99 0.00 -0.67 -1.54 105.19 109.11 1i1o n GLY 92 Ca -0.08 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1i1o n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1o n GLY 94 N 0.64 2.03 2.78 0.00 0.00 -0.64 -3.71 105.19 106.29 1i1o n GLY 94 Ca -0.11 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 1i1o n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i1o s ASP 95 N -0.13 1.21 0.00 1.61 -1.08 -1.26 -2.98 116.67 114.04 1i1o s ASP 95 Ca 0.00 -0.07 0.03 0.00 -0.52 0.00 0.00 52.55 52.00 1i1o s ASP 95 Cb 0.00 0.37 0.18 0.00 -1.46 0.00 0.00 42.92 42.02 1i1o s ASP 95 CO 0.00 -0.31 0.82 -1.54 0.52 0.00 0.00 175.17 174.67 1i1o n SER 96 N 5.32 0.00 0.12 -0.34 3.41 -1.26 -1.04 113.62 119.84 1i1o n SER 96 Ca -0.05 0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.77 1i1o n SER 96 Cb 0.50 -0.16 0.44 0.00 -0.26 0.00 0.00 64.21 64.72 1i1o n SER 96 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i1o h SER 97 N 0.00 0.00 -3.53 4.04 4.64 -2.00 -3.44 113.55 113.26 1i1o h SER 97 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1i1o h SER 97 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1i1o h SER 97 CO 0.00 0.00 -0.02 -1.00 -0.87 0.00 0.00 176.83 174.94 1i1o s HIS 98 N -3.20 3.42 0.10 4.77 3.76 -0.21 -5.01 115.29 118.93 1i1o s HIS 98 Ca 0.08 0.97 -0.22 0.00 -0.15 0.00 0.00 55.06 55.74 1i1o s HIS 98 Cb 0.11 -2.35 -0.12 0.00 1.11 0.00 0.00 32.58 31.33 1i1o s HIS 98 CO 0.52 0.14 1.74 1.49 -0.85 0.00 0.00 174.74 177.78 1i1o h GLU 99 N 2.11 0.12 -3.73 1.40 4.81 -1.87 -3.30 114.58 114.13 1i1o h GLU 99 Ca -0.47 -0.01 -0.79 0.00 -0.13 0.00 0.00 59.36 57.96 1i1o h GLU 99 Cb 1.18 -0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.26 1i1o h GLU 99 CO 0.67 0.10 0.18 0.71 -0.73 0.00 0.00 179.01 179.94 1i1o s TYR 100 N -6.10 3.91 -0.29 0.92 1.51 -1.26 -5.02 117.35 111.02 1i1o s TYR 100 Ca -0.13 -2.26 -0.28 0.00 -1.01 0.00 0.00 57.07 53.38 1i1o s TYR 100 Cb 0.07 -3.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.10 1i1o s TYR 100 CO 0.68 -0.97 1.92 0.12 -1.11 0.00 0.00 175.55 176.19 1i1o s PHE 101 N -0.33 1.62 -1.32 2.71 5.36 -1.25 -2.41 117.98 122.37 1i1o s PHE 101 Ca 0.22 0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 56.73 1i1o s PHE 101 Cb -0.10 -4.07 0.02 0.00 -0.34 0.00 0.00 43.02 38.52 1i1o s PHE 101 CO -0.09 -3.30 1.04 0.00 -1.46 0.00 0.00 175.22 171.42 1i1o h GLY 103 N -2.27 0.00 0.99 0.00 0.00 -1.87 -1.22 103.07 98.70 1i1o h GLY 103 Ca -0.58 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1i1o h GLY 103 CO 0.56 0.00 0.33 0.00 0.00 0.00 0.00 176.54 177.42 1i1o h ALA 104 N 1.47 0.78 -0.45 3.60 0.00 -1.87 -2.83 119.26 119.97 1i1o h ALA 104 Ca 0.35 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1i1o h ALA 104 Cb 1.57 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1i1o h ALA 104 CO -0.00 0.31 -0.00 0.28 0.00 0.00 0.00 179.25 179.83 1i1o h VAL 105 N 0.83 0.65 -0.67 0.00 2.07 -1.51 -0.93 116.25 116.70 1i1o h VAL 105 Ca 0.21 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1i1o h VAL 105 Cb 0.06 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1i1o h VAL 105 CO -0.03 0.02 0.44 0.44 0.02 0.00 0.00 177.57 178.46 1i1o h ASP 106 N 0.11 0.76 -0.28 0.57 3.32 -1.65 -1.21 116.42 118.04 1i1o h ASP 106 Ca 0.22 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1i1o h ASP 106 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1i1o h ASP 106 CO -0.37 0.55 0.13 0.00 -1.72 0.00 0.00 179.24 177.83 1i1o h ALA 107 N 1.25 0.37 0.21 3.45 0.00 -1.07 0.32 119.26 123.78 1i1o h ALA 107 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1i1o h ALA 107 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1i1o h ALA 107 CO -0.06 -0.07 -0.10 0.82 0.00 0.00 0.00 179.25 179.85 1i1o h ILE 108 N 0.32 0.86 -0.41 0.00 2.04 -1.15 -0.22 117.51 118.95 1i1o h ILE 108 Ca 0.10 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1i1o h ILE 108 Cb 0.13 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1i1o h ILE 108 CO -0.01 0.09 0.13 -0.33 0.00 0.00 0.00 178.15 178.03 1i1o h GLU 109 N -0.48 0.28 -0.47 2.37 5.08 -1.16 0.13 114.58 120.33 1i1o h GLU 109 Ca -0.03 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1i1o h GLU 109 Cb 0.36 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1i1o h GLU 109 CO 0.05 0.18 0.24 1.49 -1.00 0.00 0.00 179.01 179.97 1i1o h GLU 110 N 0.29 0.47 -0.08 2.33 4.22 -0.25 -2.37 114.58 119.18 1i1o h GLU 110 Ca 0.19 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.61 1i1o h GLU 110 Cb 0.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1i1o h GLU 110 CO -0.20 0.31 0.03 -0.22 -2.18 0.00 0.00 179.01 176.75 1i1o h LYS 111 N 0.48 0.08 -0.56 1.92 3.64 0.59 -3.02 116.57 119.70 1i1o h LYS 111 Ca 0.20 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1i1o h LYS 111 Cb 0.10 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1i1o h LYS 111 CO -0.14 0.05 0.28 -0.07 -2.27 0.00 0.00 179.45 177.31 1i1o h LEU 112 N 0.08 0.39 -1.19 5.20 3.38 -0.66 -2.55 115.31 119.96 1i1o h LEU 112 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1i1o h LEU 112 Cb 0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1i1o h LEU 112 CO -0.03 0.26 0.42 0.11 0.09 0.00 0.00 178.44 179.29 1i1o h LYS 113 N 0.53 0.97 -0.15 1.13 1.57 -1.31 -0.83 116.57 118.49 1i1o h LYS 113 Ca 0.25 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1i1o h LYS 113 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1i1o h LYS 113 CO -0.18 0.69 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.43 1i1o h ASN 114 N 0.98 0.20 0.89 0.86 2.35 -1.34 -2.37 115.58 117.13 1i1o h ASN 114 Ca 0.26 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1i1o h ASN 114 Cb -0.02 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1i1o h ASN 114 CO -0.05 0.28 -0.07 0.18 -1.65 0.00 0.00 177.43 176.12 1i1o n LEU 115 N -4.36 0.08 0.00 1.61 4.77 -0.64 -4.92 117.00 113.54 1i1o n LEU 115 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1i1o n LEU 115 Cb 0.20 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1i1o n LEU 115 CO 0.37 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1i1o n GLY 116 N 1.48 0.58 3.77 -0.72 0.00 -0.89 -3.81 105.19 105.60 1i1o n GLY 116 Ca 0.07 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1i1o n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1o s ALA 117 N -2.00 1.92 -0.30 4.61 0.00 -0.41 0.37 121.76 125.94 1i1o s ALA 117 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1i1o s ALA 117 Cb 0.00 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 20.05 1i1o s ALA 117 CO 0.00 -2.04 -0.01 -2.00 0.00 0.00 0.00 175.76 171.72 1i1o s GLU 118 N -5.09 2.30 -0.66 0.00 2.12 0.31 -4.67 118.70 113.00 1i1o s GLU 118 Ca 0.62 -1.36 -0.24 0.00 0.36 0.00 0.00 54.97 54.35 1i1o s GLU 118 Cb -0.16 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 31.14 1i1o s GLU 118 CO 0.55 -0.66 1.06 0.42 -0.54 0.00 0.00 175.26 176.09 1i1o s ILE 119 N 1.19 4.16 0.29 -3.70 1.01 -1.26 -1.27 121.20 121.62 1i1o s ILE 119 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 1i1o s ILE 119 Cb -0.20 -4.72 0.19 0.00 0.01 0.00 0.00 42.46 37.74 1i1o s ILE 119 CO -0.03 -1.50 1.88 0.58 0.00 0.00 0.00 174.94 175.88 1i1o h VAL 120 N 6.01 1.22 -3.19 2.92 2.07 -1.74 -3.46 116.25 120.08 1i1o h VAL 120 Ca -0.28 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1i1o h VAL 120 Cb 1.06 0.42 -0.15 0.00 -1.52 0.00 0.00 31.29 31.11 1i1o h VAL 120 CO 1.19 0.26 -0.07 -1.10 0.02 0.00 0.00 177.57 177.88 1i1o s GLN 121 N -5.48 1.01 0.40 1.57 -1.52 -1.26 -4.88 119.66 109.50 1i1o s GLN 121 Ca -0.10 -0.53 -0.27 0.00 -1.95 0.00 0.00 55.36 52.51 1i1o s GLN 121 Cb 0.16 0.45 -0.09 0.00 -0.22 0.00 0.00 33.01 33.31 1i1o s GLN 121 CO 0.80 -0.38 1.35 -0.51 -0.25 0.00 0.00 175.29 176.30 1i1o s ASP 122 N -2.42 6.32 0.52 5.90 -0.00 -1.26 -4.63 116.67 121.11 1i1o s ASP 122 Ca -0.01 2.77 -0.22 0.00 -0.00 0.00 0.00 52.55 55.08 1i1o s ASP 122 Cb 0.01 -2.65 -0.06 0.00 -0.00 0.00 0.00 42.92 40.22 1i1o s ASP 122 CO -0.07 -0.85 1.36 -0.83 -0.00 0.00 0.00 175.17 174.77 1i1o s GLY 123 N -0.56 2.89 -0.13 0.21 0.00 -1.26 -4.87 107.32 103.60 1i1o s GLY 123 Ca 0.55 1.33 -0.24 0.00 0.00 0.00 0.00 44.72 46.36 1i1o s GLY 123 CO 0.53 1.86 0.76 -2.27 0.00 0.00 0.00 173.10 173.99 1i1o s LEU 124 N -3.35 4.23 -0.21 0.66 2.96 -0.55 -4.96 118.68 117.47 1i1o s LEU 124 Ca 0.69 1.16 -0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1i1o s LEU 124 Cb -0.40 -3.15 0.05 0.00 0.50 0.00 0.00 46.19 43.19 1i1o s LEU 124 CO 0.48 -0.27 -0.05 -0.13 -1.32 0.00 0.00 176.35 175.07 1i1o s ARG 125 N 1.56 1.48 -0.17 1.98 0.52 -1.26 -1.67 118.95 121.39 1i1o s ARG 125 Ca 0.37 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1i1o s ARG 125 Cb -0.17 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 1i1o s ARG 125 CO 0.15 -0.55 -0.04 0.42 0.02 0.00 0.00 175.30 175.31 1i1o s ILE 126 N 1.52 3.74 -0.08 1.52 1.01 -0.97 -5.04 121.20 122.90 1i1o s ILE 126 Ca -0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 1i1o s ILE 126 Cb -0.17 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 1i1o s ILE 126 CO -0.07 0.47 0.37 -0.62 0.00 0.00 0.00 174.94 175.08 1i1o s ASP 127 N 0.70 6.63 0.71 3.58 2.15 -1.26 -1.62 116.67 127.57 1i1o s ASP 127 Ca -0.02 0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.71 1i1o s ASP 127 Cb -0.14 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1i1o s ASP 127 CO 0.02 0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 1i1o n GLY 128 N 2.63 1.95 3.66 2.66 0.00 -1.16 -4.71 105.19 110.23 1i1o n GLY 128 Ca -0.12 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1i1o n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i1o s ASP 129 N -4.00 6.91 0.34 1.61 3.68 -1.26 -4.81 116.67 119.14 1i1o s ASP 129 Ca 0.00 1.77 0.07 0.00 2.13 0.00 0.00 52.55 56.52 1i1o s ASP 129 Cb 0.00 -2.54 0.60 0.00 -1.45 0.00 0.00 42.92 39.53 1i1o s ASP 129 CO 0.00 -0.77 1.81 1.55 0.13 0.00 0.00 175.17 177.89 1i1o h PRO 130 N 8.32 0.30 0.00 4.34 0.13 -1.90 -2.89 132.00 140.29 1i1o h PRO 130 Ca -0.29 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1i1o h PRO 130 Cb 1.12 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i1o h PRO 130 CO 0.96 0.52 0.00 0.00 -0.23 0.00 0.00 178.00 179.25 1i1o h ARG 131 N 0.28 0.00 0.00 0.86 3.08 -1.95 0.14 114.38 116.79 1i1o h ARG 131 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1i1o h ARG 131 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1i1o h ARG 131 CO 0.04 0.00 -0.66 0.00 -1.07 0.00 0.00 179.97 178.28 1i1o n ALA 132 N -2.05 3.47 -1.15 0.04 0.00 -1.09 -3.72 120.51 116.01 1i1o n ALA 132 Ca -0.02 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.12 1i1o n ALA 132 Cb 0.11 -1.08 0.22 0.00 0.00 0.00 0.00 19.45 18.70 1i1o n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1o n ALA 133 N -1.63 3.25 -0.27 0.00 0.00 0.44 -4.80 120.51 117.50 1i1o n ALA 133 Ca 0.04 -2.62 0.04 0.00 0.00 0.00 0.00 53.44 50.91 1i1o n ALA 133 Cb 0.38 -0.66 0.18 0.00 0.00 0.00 0.00 19.45 19.34 1i1o n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1i1o h ARG 134 N 1.26 0.59 -0.14 0.00 2.43 -1.46 -0.90 114.38 116.15 1i1o h ARG 134 Ca 0.06 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1i1o h ARG 134 Cb 1.42 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1i1o h ARG 134 CO 0.23 0.39 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.36 1i1o h ASP 135 N 0.61 0.26 0.14 -3.80 3.45 -1.89 -2.59 116.42 112.59 1i1o h ASP 135 Ca 0.40 -0.08 -0.12 0.00 0.43 0.00 0.00 57.03 57.66 1i1o h ASP 135 Cb 0.50 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1i1o h ASP 135 CO -0.32 0.53 -0.41 0.44 -1.57 0.00 0.00 179.24 177.91 1i1o h ASP 136 N 0.23 0.37 0.02 6.45 3.45 -1.56 -0.65 116.42 124.73 1i1o h ASP 136 Ca 0.04 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 1i1o h ASP 136 Cb 0.61 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1i1o h ASP 136 CO 0.04 0.75 -0.01 0.40 -1.57 0.00 0.00 179.24 178.86 1i1o h ILE 137 N 0.29 1.31 -0.73 0.35 2.04 -1.19 -2.56 117.51 117.02 1i1o h ILE 137 Ca 0.03 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 64.92 1i1o h ILE 137 Cb 0.86 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 1i1o h ILE 137 CO 0.07 0.26 0.45 0.58 0.00 0.00 0.00 178.15 179.51 1i1o h VAL 138 N -0.46 1.07 -0.61 1.67 2.07 -1.45 -1.87 116.25 116.68 1i1o h VAL 138 Ca -0.00 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1i1o h VAL 138 Cb 0.44 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1i1o h VAL 138 CO 0.00 0.16 0.39 1.23 0.02 0.00 0.00 177.57 179.37 1i1o h GLY 139 N 0.86 0.86 0.91 2.17 0.00 -1.11 -2.41 103.07 104.36 1i1o h GLY 139 Ca 0.30 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1i1o h GLY 139 CO -0.13 0.28 0.02 -0.25 0.00 0.00 0.00 176.54 176.46 1i1o h TRP 140 N 0.79 0.65 -0.84 5.60 7.01 -1.06 -1.25 115.95 126.84 1i1o h TRP 140 Ca 0.23 -0.11 0.06 0.00 2.11 0.00 0.00 58.89 61.18 1i1o h TRP 140 Cb -0.04 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 26.78 1i1o h TRP 140 CO -0.04 0.69 0.52 0.00 -2.79 0.00 0.00 178.44 176.82 1i1o h ALA 141 N 0.87 1.14 -0.57 2.65 0.00 -1.21 0.28 119.26 122.42 1i1o h ALA 141 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1i1o h ALA 141 Cb 0.42 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i1o h ALA 141 CO 0.01 0.27 0.25 1.25 0.00 0.00 0.00 179.25 181.03 1i1o h HIS 142 N 0.95 0.86 -0.19 0.00 -0.00 -1.21 -1.76 115.15 113.80 1i1o h HIS 142 Ca 0.36 -0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.57 1i1o h HIS 142 Cb 0.15 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1i1o h HIS 142 CO -0.03 0.68 -0.29 -0.44 -0.00 0.00 0.00 177.93 177.85 1i1o h ASP 143 N 0.78 0.59 -0.41 3.26 3.45 -0.72 -2.81 116.42 120.56 1i1o h ASP 143 Ca 0.19 -0.52 0.08 0.00 0.43 0.00 0.00 57.03 57.21 1i1o h ASP 143 Cb 0.17 -0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 38.70 1i1o h ASP 143 CO -0.02 0.99 -0.07 0.58 -1.57 0.00 0.00 179.24 179.16 1i1o h VAL 144 N 0.20 0.62 -0.78 -1.35 2.07 -0.32 -2.15 116.25 114.53 1i1o h VAL 144 Ca 0.02 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1i1o h VAL 144 Cb 0.87 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1i1o h VAL 144 CO 0.07 0.01 0.39 0.03 0.02 0.00 0.00 177.57 178.08 1i1o h ARG 145 N 0.03 0.58 0.00 1.57 3.08 -1.28 -2.26 114.38 116.11 1i1o h ARG 145 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1i1o h ARG 145 Cb 0.30 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1i1o h ARG 145 CO -0.39 0.39 0.00 0.78 -1.07 0.00 0.00 179.97 179.67 1i1o h GLY 146 N 0.60 0.00 -0.95 0.04 0.00 -1.19 -3.20 103.07 98.38 1i1o h GLY 146 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1i1o h GLY 146 CO -0.32 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.22 1i1o n ALA 147 N -1.88 2.50 1.28 3.60 0.00 -0.85 -5.11 120.51 120.06 1i1o n ALA 147 Ca 0.04 -0.56 0.13 0.00 0.00 0.00 0.00 53.44 53.05 1i1o n ALA 147 Cb 0.40 -1.06 0.34 0.00 0.00 0.00 0.00 19.45 19.13 1i1o n ALA 147 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61