#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tmy n LYS 3 N 0.00 0.00 -3.22 1.61 2.85 -1.26 -4.89 118.16 113.25 3tmy n LYS 3 Ca 0.00 -0.52 -0.43 0.00 -1.05 0.00 0.00 58.31 56.31 3tmy n LYS 3 Cb 0.00 -0.32 -0.08 0.00 -0.65 0.00 0.00 35.03 33.98 3tmy n LYS 3 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3tmy s ARG 4 N 0.00 3.19 -0.18 -1.58 0.52 -1.26 -0.14 118.95 119.51 3tmy s ARG 4 Ca 0.00 -0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 54.57 3tmy s ARG 4 Cb 0.00 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 3tmy s ARG 4 CO 0.00 -0.92 0.09 0.08 0.02 0.00 0.00 175.30 174.57 3tmy s VAL 5 N 2.46 5.07 -0.32 3.52 1.01 0.27 -0.57 120.40 131.84 3tmy s VAL 5 Ca 0.17 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 3tmy s VAL 5 Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3tmy s VAL 5 CO 0.16 0.48 0.39 -0.22 0.00 0.00 0.00 175.10 175.91 3tmy s LEU 6 N 0.16 4.29 -0.18 3.92 0.20 0.13 -1.18 118.68 126.02 3tmy s LEU 6 Ca 0.07 -0.03 -0.13 0.00 0.69 0.00 0.00 54.13 54.73 3tmy s LEU 6 Cb -0.12 -2.41 -0.05 0.00 -0.43 0.00 0.00 46.19 43.19 3tmy s LEU 6 CO -0.00 -0.31 0.24 -0.63 -0.29 0.00 0.00 176.35 175.35 3tmy s ILE 7 N 2.10 5.34 -0.11 6.68 1.01 -0.67 -1.05 121.20 134.49 3tmy s ILE 7 Ca 0.14 0.42 -0.00 0.00 0.00 0.00 0.00 60.65 61.20 3tmy s ILE 7 Cb -0.16 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.76 3tmy s ILE 7 CO 0.11 0.39 -0.08 -0.69 0.00 0.00 0.00 174.94 174.68 3tmy s VAL 8 N 0.54 1.00 -0.28 2.92 1.01 -0.94 -0.07 120.40 124.58 3tmy s VAL 8 Ca 0.13 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3tmy s VAL 8 Cb -0.12 -1.02 0.15 0.00 0.00 0.00 0.00 36.38 35.39 3tmy s VAL 8 CO 0.02 0.36 1.20 -0.62 0.00 0.00 0.00 175.10 176.07 3tmy s ASP 9 N 1.66 -0.28 0.30 3.32 -1.08 -0.50 -1.44 116.67 118.65 3tmy s ASP 9 Ca 0.04 0.51 0.26 0.00 -0.52 0.00 0.00 52.55 52.84 3tmy s ASP 9 Cb -0.13 0.51 0.75 0.00 -1.46 0.00 0.00 42.92 42.60 3tmy s ASP 9 CO -0.07 -0.11 1.74 -2.24 0.52 0.00 0.00 175.17 175.01 3tmy h ASP 10 N 3.61 0.00 -3.62 -0.34 2.03 -1.80 -3.38 116.42 112.92 3tmy h ASP 10 Ca -0.26 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.38 3tmy h ASP 10 Cb 1.18 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.52 3tmy h ASP 10 CO 0.15 0.00 -0.15 0.00 -1.03 0.00 0.00 179.24 178.21 3tmy s ALA 11 N -3.20 3.48 0.26 4.15 0.00 -1.26 -4.94 121.76 120.25 3tmy s ALA 11 Ca 0.08 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 3tmy s ALA 11 Cb 0.10 -2.95 0.30 0.00 0.00 0.00 0.00 23.12 20.58 3tmy s ALA 11 CO 0.59 -1.20 1.90 0.00 0.00 0.00 0.00 175.76 177.05 3tmy h ALA 12 N 8.49 1.27 -0.36 0.00 0.00 -1.99 0.54 119.26 127.21 3tmy h ALA 12 Ca -0.28 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3tmy h ALA 12 Cb 1.13 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3tmy h ALA 12 CO 0.75 0.63 0.21 0.35 0.00 0.00 0.00 179.25 181.18 3tmy h PHE 13 N 1.22 0.40 -0.64 0.00 3.57 -1.97 -1.41 116.94 118.10 3tmy h PHE 13 Ca 0.32 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3tmy h PHE 13 Cb -0.04 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3tmy h PHE 13 CO 0.01 0.24 0.37 1.98 -2.23 0.00 0.00 178.31 178.67 3tmy h MET 14 N 0.44 0.88 -0.58 1.11 4.05 -1.87 -0.56 114.93 118.40 3tmy h MET 14 Ca 0.14 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 3tmy h MET 14 Cb -0.01 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 3tmy h MET 14 CO -0.06 0.65 0.23 0.00 0.23 0.00 0.00 176.91 177.97 3tmy h ARG 15 N 0.87 0.86 -0.67 0.39 3.08 -0.44 -2.43 114.38 116.04 3tmy h ARG 15 Ca 0.23 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 3tmy h ARG 15 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3tmy h ARG 15 CO -0.04 0.74 0.13 0.52 -1.07 0.00 0.00 179.97 180.25 3tmy h MET 16 N 0.79 1.09 0.14 0.04 2.86 -0.94 0.74 114.93 119.65 3tmy h MET 16 Ca 0.19 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3tmy h MET 16 Cb 0.20 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3tmy h MET 16 CO -0.02 0.98 -0.07 0.52 1.06 0.00 0.00 176.91 179.39 3tmy h MET 17 N 1.03 -0.18 -0.47 1.72 2.86 -1.08 -1.34 114.93 117.47 3tmy h MET 17 Ca 0.21 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.95 3tmy h MET 17 Cb 0.41 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.03 3tmy h MET 17 CO 0.01 0.05 -0.03 1.25 1.06 0.00 0.00 176.91 179.25 3tmy h LEU 18 N -0.39 -0.26 -0.99 1.22 5.85 -1.32 0.21 115.31 119.63 3tmy h LEU 18 Ca -0.02 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3tmy h LEU 18 Cb 0.31 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 3tmy h LEU 18 CO 0.03 -0.09 0.62 0.50 -0.34 0.00 0.00 178.44 179.16 3tmy h LYS 19 N 0.08 0.97 -0.51 1.25 3.64 -0.74 0.16 116.57 121.43 3tmy h LYS 19 Ca 0.23 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3tmy h LYS 19 Cb 0.35 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3tmy h LYS 19 CO -0.41 0.64 0.06 0.22 -2.27 0.00 0.00 179.45 177.69 3tmy h ASP 20 N 1.00 0.83 0.22 4.20 3.58 0.55 -2.62 116.42 124.17 3tmy h ASP 20 Ca 0.48 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3tmy h ASP 20 Cb 0.44 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.28 3tmy h ASP 20 CO -0.25 0.89 -0.11 0.40 -2.88 0.00 0.00 179.24 177.29 3tmy h ILE 21 N 0.73 0.85 -0.99 2.25 2.04 -0.23 -2.25 117.51 119.91 3tmy h ILE 21 Ca 0.15 -0.55 0.14 0.00 1.00 0.00 0.00 64.86 65.61 3tmy h ILE 21 Cb 0.43 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 3tmy h ILE 21 CO 0.01 0.12 0.61 0.40 0.00 0.00 0.00 178.15 179.30 3tmy h ILE 22 N -0.58 0.84 -0.02 -0.67 5.03 -0.76 -0.90 117.51 120.46 3tmy h ILE 22 Ca -0.03 -0.31 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 3tmy h ILE 22 Cb 0.43 -0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.08 3tmy h ILE 22 CO 0.05 0.17 -0.04 0.74 -0.68 0.00 0.00 178.15 178.39 3tmy h THR 23 N 0.91 1.47 -0.07 -0.27 2.02 -1.49 0.23 112.91 115.70 3tmy h THR 23 Ca 0.52 -1.43 0.02 0.00 0.77 0.00 0.00 66.41 66.29 3tmy h THR 23 Cb 0.62 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3tmy h THR 23 CO -0.31 0.38 0.05 0.11 0.37 0.00 0.00 175.52 176.12 3tmy h LYS 24 N -0.52 0.01 0.00 6.66 1.57 -1.17 -0.56 116.57 122.56 3tmy h LYS 24 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3tmy h LYS 24 Cb 0.64 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3tmy h LYS 24 CO 0.01 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 3tmy n ALA 25 N -2.55 2.36 0.00 3.86 0.00 -0.36 -4.88 120.51 118.94 3tmy n ALA 25 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3tmy n ALA 25 Cb 0.15 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3tmy n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3tmy n GLY 26 N 1.05 0.31 3.94 0.00 0.00 -0.22 -5.07 105.19 105.21 3tmy n GLY 26 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3tmy n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3tmy s TYR 27 N -2.00 1.45 -0.03 1.61 1.51 0.81 -4.98 117.35 115.71 3tmy s TYR 27 Ca 0.00 0.25 0.05 0.00 -1.01 0.00 0.00 57.07 56.35 3tmy s TYR 27 Cb 0.00 -4.15 -0.01 0.00 -0.11 0.00 0.00 41.96 37.70 3tmy s TYR 27 CO 0.00 -2.71 -0.17 -2.00 -1.11 0.00 0.00 175.55 169.56 3tmy s GLU 28 N -5.90 1.59 -0.85 -0.62 2.12 0.80 -4.25 118.70 111.60 3tmy s GLU 28 Ca 0.75 -0.59 -0.21 0.00 0.36 0.00 0.00 54.97 55.28 3tmy s GLU 28 Cb -0.03 -1.44 0.10 0.00 0.26 0.00 0.00 34.13 33.02 3tmy s GLU 28 CO 0.53 0.28 1.12 0.08 -0.54 0.00 0.00 175.26 176.73 3tmy s VAL 29 N -0.12 4.46 0.35 3.70 1.01 -1.26 0.96 120.40 129.50 3tmy s VAL 29 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3tmy s VAL 29 Cb -0.09 -4.79 0.27 0.00 0.00 0.00 0.00 36.38 31.76 3tmy s VAL 29 CO 0.01 -1.56 2.01 0.00 0.00 0.00 0.00 175.10 175.56 3tmy h ALA 30 N 9.24 1.56 0.00 5.51 0.00 -1.45 -3.47 119.26 130.66 3tmy h ALA 30 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3tmy h ALA 30 Cb 1.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3tmy h ALA 30 CO 1.18 0.40 0.00 0.41 0.00 0.00 0.00 179.25 181.24 3tmy n GLY 31 N -1.44 -1.13 3.18 0.00 0.00 -1.24 -5.00 105.19 99.56 3tmy n GLY 31 Ca 0.06 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 3tmy n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3tmy s GLU 32 N -1.55 1.00 0.02 1.61 2.02 -1.26 -1.68 118.70 118.86 3tmy s GLU 32 Ca 0.00 -1.44 -0.16 0.00 0.02 0.00 0.00 54.97 53.39 3tmy s GLU 32 Cb 0.00 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.52 3tmy s GLU 32 CO 0.00 -0.30 0.35 0.00 0.02 0.00 0.00 175.26 175.33 3tmy s ALA 33 N -4.06 -0.86 -0.81 5.21 0.00 0.90 -4.90 121.76 117.24 3tmy s ALA 33 Ca 0.26 0.27 0.15 0.00 0.00 0.00 0.00 51.96 52.64 3tmy s ALA 33 Cb 0.07 0.21 -0.15 0.00 0.00 0.00 0.00 23.12 23.25 3tmy s ALA 33 CO 0.03 -0.36 0.67 0.25 0.00 0.00 0.00 175.76 176.36 3tmy n THR 34 N 0.85 0.00 -3.89 0.00 -2.24 -1.26 -1.41 114.28 106.33 3tmy n THR 34 Ca -0.20 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3tmy n THR 34 Cb 0.58 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 3tmy n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3tmy s ASN 35 N -2.37 -0.09 0.34 3.42 2.20 -1.26 -3.66 114.94 113.51 3tmy s ASN 35 Ca 0.07 -0.85 0.03 0.00 -0.94 0.00 0.00 52.86 51.16 3tmy s ASN 35 Cb 0.12 0.73 0.60 0.00 -2.00 0.00 0.00 41.25 40.69 3tmy s ASN 35 CO 0.60 -1.39 1.92 1.23 -2.94 0.00 0.00 177.10 176.52 3tmy h GLY 36 N 2.06 0.72 0.62 0.45 0.00 -1.43 -0.25 103.07 105.23 3tmy h GLY 36 Ca -0.24 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 3tmy h GLY 36 CO 0.31 0.34 -0.22 -0.09 0.00 0.00 0.00 176.54 176.87 3tmy h ARG 37 N 0.66 0.26 -0.76 4.80 2.43 -1.85 -2.89 114.38 117.02 3tmy h ARG 37 Ca 0.16 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3tmy h ARG 37 Cb 0.17 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 3tmy h ARG 37 CO -0.01 0.83 0.50 1.49 -1.51 0.00 0.00 179.97 181.27 3tmy h GLU 38 N -0.25 0.75 0.50 0.20 4.81 -1.93 -2.35 114.58 116.32 3tmy h GLU 38 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3tmy h GLU 38 Cb 0.86 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3tmy h GLU 38 CO 0.05 0.50 -0.24 0.00 -0.73 0.00 0.00 179.01 178.58 3tmy h ALA 39 N 1.59 -0.67 -0.88 2.92 0.00 -1.04 -2.07 119.26 119.11 3tmy h ALA 39 Ca 0.34 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.23 3tmy h ALA 39 Cb 0.31 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3tmy h ALA 39 CO -0.12 -0.85 0.57 0.28 0.00 0.00 0.00 179.25 179.13 3tmy h VAL 40 N -0.74 0.84 0.64 0.00 2.07 -1.22 0.51 116.25 118.35 3tmy h VAL 40 Ca -0.07 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3tmy h VAL 40 Cb 0.55 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3tmy h VAL 40 CO 0.11 0.13 -0.31 -0.33 0.02 0.00 0.00 177.57 177.19 3tmy h GLU 41 N 0.69 -0.82 0.00 1.57 5.08 -1.31 -1.96 114.58 117.83 3tmy h GLU 41 Ca 0.44 0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.79 3tmy h GLU 41 Cb 0.71 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3tmy h GLU 41 CO -0.20 -0.53 -0.33 0.87 -1.00 0.00 0.00 179.01 177.82 3tmy h LYS 42 N -0.90 0.00 0.06 2.33 1.57 -1.02 -0.51 116.57 118.11 3tmy h LYS 42 Ca -0.09 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3tmy h LYS 42 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3tmy h LYS 42 CO 0.14 0.33 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.31 3tmy h TYR 43 N 0.00 -0.32 -0.45 -1.35 3.20 0.29 -1.46 116.97 116.88 3tmy h TYR 43 Ca -0.00 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3tmy h TYR 43 Cb 0.87 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 39.19 3tmy h TYR 43 CO 0.00 -0.19 -0.03 0.87 -1.64 0.00 0.00 178.16 177.17 3tmy h LYS 44 N -0.24 0.08 0.51 1.82 1.57 -0.65 0.64 116.57 120.30 3tmy h LYS 44 Ca 0.03 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3tmy h LYS 44 Cb 0.26 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3tmy h LYS 44 CO -0.08 0.05 -0.25 0.93 -0.57 0.00 0.00 179.45 179.53 3tmy h GLU 45 N 0.08 -0.66 -0.81 3.15 5.08 -0.86 -3.35 114.58 117.21 3tmy h GLU 45 Ca 0.22 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3tmy h GLU 45 Cb 0.33 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 3tmy h GLU 45 CO -0.40 -0.44 0.53 -0.07 -1.00 0.00 0.00 179.01 177.63 3tmy h LEU 46 N -0.96 0.86 -2.82 1.33 3.38 -1.27 -3.48 115.31 112.35 3tmy h LEU 46 Ca -0.07 -0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.39 3tmy h LEU 46 Cb 0.53 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.08 3tmy h LEU 46 CO 0.12 0.59 -0.94 1.17 0.09 0.00 0.00 178.44 179.47 3tmy n LYS 47 N -4.45 -1.77 -1.17 1.13 4.81 0.22 -4.92 118.16 112.02 3tmy n LYS 47 Ca 0.10 0.35 -0.29 0.00 -0.87 0.00 0.00 58.31 57.61 3tmy n LYS 47 Cb 0.11 -3.96 0.17 0.00 0.02 0.00 0.00 35.03 31.37 3tmy n LYS 47 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3tmy s PRO 48 N -6.50 0.57 -0.00 1.64 0.04 -1.26 -4.97 135.00 124.51 3tmy s PRO 48 Ca 0.29 0.57 0.08 0.00 0.04 0.00 0.00 61.00 61.97 3tmy s PRO 48 Cb -0.12 -1.75 -0.23 0.00 0.04 0.00 0.00 34.50 32.44 3tmy s PRO 48 CO 0.90 -2.65 0.82 -0.44 0.04 0.00 0.00 177.00 175.67 3tmy h ASP 49 N -1.84 0.09 -4.62 6.66 3.32 -1.19 -3.47 116.42 115.36 3tmy h ASP 49 Ca -0.54 -0.15 -0.31 0.00 0.02 0.00 0.00 57.03 56.06 3tmy h ASP 49 Cb 1.32 -0.03 -0.20 0.00 0.22 0.00 0.00 39.33 40.64 3tmy h ASP 49 CO 0.57 1.13 -0.74 -0.63 -1.72 0.00 0.00 179.24 177.85 3tmy s ILE 50 N -2.62 0.75 -0.07 0.35 1.01 -0.93 -4.20 121.20 115.48 3tmy s ILE 50 Ca -0.05 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.32 3tmy s ILE 50 Cb 0.08 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.65 3tmy s ILE 50 CO 0.82 -0.42 -0.08 -0.69 0.00 0.00 0.00 174.94 174.58 3tmy s VAL 51 N -1.71 0.88 -0.19 2.92 1.01 0.13 0.18 120.40 123.62 3tmy s VAL 51 Ca -0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 3tmy s VAL 51 Cb -0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3tmy s VAL 51 CO 0.00 0.31 0.08 0.42 0.00 0.00 0.00 175.10 175.92 3tmy s THR 52 N 1.06 4.96 -0.20 3.92 -4.23 -0.22 -0.30 115.64 120.63 3tmy s THR 52 Ca -0.08 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.45 3tmy s THR 52 Cb -0.14 -3.25 0.05 0.00 1.34 0.00 0.00 72.50 70.50 3tmy s THR 52 CO -0.01 0.45 -0.04 -0.32 -0.54 0.00 0.00 174.62 174.16 3tmy s MET 53 N 0.39 1.41 0.66 3.99 0.00 0.87 -2.21 119.30 124.41 3tmy s MET 53 Ca 0.04 -0.69 -0.18 0.00 0.00 0.00 0.00 55.69 54.87 3tmy s MET 53 Cb -0.12 -2.25 -0.01 0.00 0.00 0.00 0.00 34.83 32.45 3tmy s MET 53 CO -0.00 -0.52 1.29 0.34 0.00 0.00 0.00 175.02 176.12 3tmy s ASP 54 N 1.57 4.55 -0.17 1.11 2.15 -0.52 -1.67 116.67 123.69 3tmy s ASP 54 Ca -0.02 2.60 -0.18 0.00 0.43 0.00 0.00 52.55 55.38 3tmy s ASP 54 Cb -0.17 -2.62 -0.14 0.00 -0.30 0.00 0.00 42.92 39.69 3tmy s ASP 54 CO -0.07 -2.04 0.17 0.40 -0.17 0.00 0.00 175.17 173.45 3tmy h ILE 55 N 0.45 0.72 -3.58 4.11 2.04 -1.86 -3.24 117.51 116.15 3tmy h ILE 55 Ca -0.51 -1.80 -0.63 0.00 1.00 0.00 0.00 64.86 62.92 3tmy h ILE 55 Cb 1.33 1.62 -0.14 0.00 -0.74 0.00 0.00 36.82 38.90 3tmy h ILE 55 CO 0.53 0.24 0.07 -0.89 0.00 0.00 0.00 178.15 178.11 3tmy s THR 56 N -2.25 4.94 0.11 -0.27 2.01 -1.26 -1.87 115.64 117.05 3tmy s THR 56 Ca -0.22 0.54 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 3tmy s THR 56 Cb 0.03 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.55 3tmy s THR 56 CO 0.46 -0.25 0.35 -0.04 -0.69 0.00 0.00 174.62 174.46 3tmy s MET 57 N 2.58 1.01 0.50 4.92 -1.94 -1.26 -4.80 119.30 120.30 3tmy s MET 57 Ca 0.22 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.37 3tmy s MET 57 Cb -0.15 0.44 -0.05 0.00 2.01 0.00 0.00 34.83 37.08 3tmy s MET 57 CO 0.14 -0.38 0.87 -2.14 -0.01 0.00 0.00 175.02 173.50 3tmy s PRO 58 N -3.73 3.66 0.00 2.03 0.02 -1.26 -3.97 135.00 131.76 3tmy s PRO 58 Ca 0.03 0.50 0.00 0.00 0.02 0.00 0.00 61.00 61.55 3tmy s PRO 58 Cb 0.02 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3tmy s PRO 58 CO -0.11 -0.26 0.00 0.39 -0.33 0.00 0.00 177.00 176.68 3tmy n GLU 59 N -2.06 0.00 -4.96 5.54 1.02 -1.26 -3.94 120.64 114.98 3tmy n GLU 59 Ca 0.03 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.90 3tmy n GLU 59 Cb 0.54 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.80 3tmy n GLU 59 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3tmy s MET 60 N 0.00 1.93 1.01 3.49 -1.94 -1.26 -4.96 119.30 117.57 3tmy s MET 60 Ca 0.00 -0.69 -0.17 0.00 -1.71 0.00 0.00 55.69 53.12 3tmy s MET 60 Cb 0.00 -1.69 0.23 0.00 2.01 0.00 0.00 34.83 35.38 3tmy s MET 60 CO 0.00 0.31 1.34 0.54 -0.01 0.00 0.00 175.02 177.20 3tmy s ASN 61 N -0.09 2.71 0.20 3.03 2.20 -1.25 -1.63 114.94 120.10 3tmy s ASN 61 Ca -0.02 0.19 -0.06 0.00 -0.94 0.00 0.00 52.86 52.03 3tmy s ASN 61 Cb -0.11 -0.15 0.14 0.00 -2.00 0.00 0.00 41.25 39.13 3tmy s ASN 61 CO 0.02 -2.98 1.61 1.23 -2.94 0.00 0.00 177.10 174.04 3tmy h GLY 62 N -1.82 0.92 1.05 0.45 0.00 -1.40 -1.72 103.07 100.55 3tmy h GLY 62 Ca -0.44 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.01 3tmy h GLY 62 CO 0.32 0.71 -0.07 -2.22 0.00 0.00 0.00 176.54 175.28 3tmy h ILE 63 N 0.74 1.27 0.31 2.60 2.04 -1.85 1.16 117.51 123.77 3tmy h ILE 63 Ca 0.10 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 3tmy h ILE 63 Cb 0.74 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3tmy h ILE 63 CO 0.06 0.42 -0.18 0.44 0.00 0.00 0.00 178.15 178.89 3tmy h ASP 64 N 0.81 -0.43 0.34 1.72 3.32 -1.90 -1.98 116.42 118.30 3tmy h ASP 64 Ca 0.14 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3tmy h ASP 64 Cb 0.62 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3tmy h ASP 64 CO 0.04 -0.29 -0.31 0.00 -1.72 0.00 0.00 179.24 176.96 3tmy h ALA 65 N 0.22 1.45 -0.72 3.45 0.00 -0.95 -2.63 119.26 120.08 3tmy h ALA 65 Ca -0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3tmy h ALA 65 Cb 0.37 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3tmy h ALA 65 CO 0.04 0.39 0.22 0.82 0.00 0.00 0.00 179.25 180.73 3tmy h ILE 66 N 0.00 1.26 -0.86 0.00 2.04 0.18 -1.89 117.51 118.24 3tmy h ILE 66 Ca -0.00 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 64.96 3tmy h ILE 66 Cb 0.56 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3tmy h ILE 66 CO 0.04 0.35 0.56 0.11 0.00 0.00 0.00 178.15 179.21 3tmy h LYS 67 N 1.07 1.14 0.04 2.37 1.57 -1.04 0.25 116.57 121.98 3tmy h LYS 67 Ca 0.23 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3tmy h LYS 67 Cb 0.31 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3tmy h LYS 67 CO -0.01 0.77 -0.02 0.93 -0.57 0.00 0.00 179.45 180.55 3tmy h GLU 68 N 1.17 -0.05 -0.56 3.15 4.39 -1.13 -1.19 114.58 120.36 3tmy h GLU 68 Ca 0.31 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 3tmy h GLU 68 Cb -0.11 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3tmy h GLU 68 CO -0.07 0.06 -0.01 0.82 -1.16 0.00 0.00 179.01 178.66 3tmy h ILE 69 N -0.15 1.26 -0.25 3.13 2.04 -0.92 -0.36 117.51 122.25 3tmy h ILE 69 Ca -0.01 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.76 3tmy h ILE 69 Cb 0.14 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3tmy h ILE 69 CO 0.01 0.40 0.17 0.24 0.00 0.00 0.00 178.15 178.97 3tmy h MET 70 N 0.89 0.22 0.29 2.37 2.86 -0.27 0.74 114.93 122.04 3tmy h MET 70 Ca 0.16 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3tmy h MET 70 Cb 0.53 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3tmy h MET 70 CO 0.03 0.15 -0.14 0.87 1.06 0.00 0.00 176.91 178.88 3tmy h LYS 71 N 0.23 -0.37 -0.74 1.72 1.57 0.18 -2.53 116.57 116.63 3tmy h LYS 71 Ca 0.10 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3tmy h LYS 71 Cb 0.13 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3tmy h LYS 71 CO -0.02 -0.16 0.37 0.82 -0.57 0.00 0.00 179.45 179.89 3tmy h ILE 72 N -0.52 1.24 -2.19 1.86 5.03 -0.63 -3.40 117.51 118.90 3tmy h ILE 72 Ca -0.04 -0.65 -0.44 0.00 -0.12 0.00 0.00 64.86 63.61 3tmy h ILE 72 Cb 0.39 0.30 -0.34 0.00 -3.03 0.00 0.00 36.82 34.14 3tmy h ILE 72 CO 0.06 0.28 -0.74 -0.62 -0.68 0.00 0.00 178.15 176.45 3tmy s ASP 73 N -6.14 1.86 0.03 1.72 -1.08 0.25 -4.98 116.67 108.32 3tmy s ASP 73 Ca -0.13 -1.69 0.01 0.00 -0.52 0.00 0.00 52.55 50.22 3tmy s ASP 73 Cb 0.15 0.22 0.07 0.00 -1.46 0.00 0.00 42.92 41.91 3tmy s ASP 73 CO 0.81 -0.29 0.87 -0.81 0.52 0.00 0.00 175.17 176.27 3tmy n PRO 74 N 4.30 0.01 -0.41 4.34 -0.04 -0.96 0.63 135.00 142.88 3tmy n PRO 74 Ca 0.10 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.98 3tmy n PRO 74 Cb 0.43 -1.71 0.25 0.00 -0.04 0.00 0.00 33.50 32.42 3tmy n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3tmy n ASN 75 N -1.40 3.81 -4.75 3.54 3.02 -1.26 -5.02 115.26 113.20 3tmy n ASN 75 Ca -0.00 -2.55 -0.39 0.00 -0.03 0.00 0.00 54.58 51.62 3tmy n ASN 75 Cb 0.19 -0.45 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 3tmy n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3tmy s ALA 76 N -2.00 2.89 -0.54 5.41 0.00 0.20 -4.99 121.76 122.74 3tmy s ALA 76 Ca 0.38 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.69 3tmy s ALA 76 Cb 0.27 -3.57 0.14 0.00 0.00 0.00 0.00 23.12 19.96 3tmy s ALA 76 CO 0.15 -1.34 0.33 0.15 0.00 0.00 0.00 175.76 175.05 3tmy s LYS 77 N -2.83 2.26 -0.08 0.00 1.02 -1.26 -4.94 119.74 113.91 3tmy s LYS 77 Ca 0.70 -2.38 0.01 0.00 0.02 0.00 0.00 55.97 54.32 3tmy s LYS 77 Cb -0.41 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 3tmy s LYS 77 CO 0.49 -1.12 -0.08 0.42 -0.92 0.00 0.00 175.35 174.14 3tmy s ILE 78 N 0.17 3.58 -0.11 2.17 1.01 -1.26 -0.69 121.20 126.07 3tmy s ILE 78 Ca 0.15 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3tmy s ILE 78 Cb -0.22 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.79 3tmy s ILE 78 CO -0.03 0.58 -0.21 -0.63 0.00 0.00 0.00 174.94 174.65 3tmy s ILE 79 N -0.56 1.88 -0.11 2.92 1.01 0.59 0.78 121.20 127.71 3tmy s ILE 79 Ca 0.08 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 3tmy s ILE 79 Cb -0.12 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3tmy s ILE 79 CO 0.02 0.52 0.25 0.54 0.00 0.00 0.00 174.94 176.26 3tmy s VAL 80 N 0.57 5.32 -0.19 2.92 0.11 0.08 -0.09 120.40 129.12 3tmy s VAL 80 Ca -0.14 0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 59.27 3tmy s VAL 80 Cb -0.17 -3.54 -0.05 0.00 -1.53 0.00 0.00 36.38 31.09 3tmy s VAL 80 CO 0.05 0.54 0.11 0.00 -3.33 0.00 0.00 175.10 172.46 3tmy s SER 82 N 0.32 1.68 0.46 0.00 1.04 -0.28 -2.66 113.70 114.26 3tmy s SER 82 Ca 0.07 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 3tmy s SER 82 Cb -0.11 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 3tmy s SER 82 CO -0.01 -0.36 0.75 0.00 0.98 0.00 0.00 173.24 174.60 3tmy s ALA 83 N -3.38 3.44 0.78 5.32 0.00 -1.26 -0.26 121.76 126.40 3tmy s ALA 83 Ca 0.16 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 3tmy s ALA 83 Cb 0.03 -2.53 0.06 0.00 0.00 0.00 0.00 23.12 20.69 3tmy s ALA 83 CO -0.00 -0.28 1.18 -1.33 0.00 0.00 0.00 175.76 175.33 3tmy n MET 84 N -2.12 0.33 -1.74 0.00 2.81 -1.25 -2.63 117.12 112.52 3tmy n MET 84 Ca -0.00 0.19 -0.11 0.00 -1.81 0.00 0.00 57.70 55.97 3tmy n MET 84 Cb 0.55 -2.42 -0.03 0.00 -0.71 0.00 0.00 33.22 30.61 3tmy n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3tmy n GLY 85 N 0.67 0.61 0.58 3.03 0.00 -1.26 -4.88 105.19 103.93 3tmy n GLY 85 Ca 0.14 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.77 3tmy n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3tmy n GLN 86 N -2.38 2.31 -0.33 1.61 6.02 -1.08 -4.83 117.38 118.69 3tmy n GLN 86 Ca -0.12 -2.73 -0.02 0.00 -0.01 0.00 0.00 57.00 54.12 3tmy n GLN 86 Cb 0.47 -1.71 0.04 0.00 1.02 0.00 0.00 30.24 30.06 3tmy n GLN 86 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3tmy h GLN 87 N 1.12 -0.04 -0.87 -1.09 4.20 -1.90 0.04 115.11 116.57 3tmy h GLN 87 Ca 0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 3tmy h GLN 87 Cb 1.27 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.97 3tmy h GLN 87 CO 0.14 -0.03 0.49 0.00 -0.67 0.00 0.00 178.83 178.76 3tmy h ALA 88 N 1.30 1.27 0.00 3.87 0.00 -2.00 -1.82 119.26 121.88 3tmy h ALA 88 Ca 0.32 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3tmy h ALA 88 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3tmy h ALA 88 CO -0.90 0.07 -0.34 0.52 0.00 0.00 0.00 179.25 178.60 3tmy h MET 89 N 0.78 0.00 -0.08 0.00 2.86 -1.45 -1.82 114.93 115.22 3tmy h MET 89 Ca 0.44 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.08 3tmy h MET 89 Cb 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3tmy h MET 89 CO -0.28 0.34 0.04 0.28 1.06 0.00 0.00 176.91 178.35 3tmy h VAL 90 N 0.00 1.08 -0.63 -2.22 2.07 -0.49 0.06 116.25 116.13 3tmy h VAL 90 Ca -0.00 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.37 3tmy h VAL 90 Cb 1.16 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 3tmy h VAL 90 CO 0.04 0.07 0.28 0.40 0.02 0.00 0.00 177.57 178.38 3tmy h ILE 91 N 0.04 0.82 -0.24 4.57 2.04 -0.84 -1.32 117.51 122.57 3tmy h ILE 91 Ca 0.03 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3tmy h ILE 91 Cb 0.08 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3tmy h ILE 91 CO -0.00 0.09 0.15 -0.33 0.00 0.00 0.00 178.15 178.05 3tmy h GLU 92 N 0.49 0.30 -0.46 2.37 5.08 -1.12 0.25 114.58 121.48 3tmy h GLU 92 Ca 0.31 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3tmy h GLU 92 Cb 0.35 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3tmy h GLU 92 CO -0.28 0.20 0.12 0.00 -1.00 0.00 0.00 179.01 178.05 3tmy h ALA 93 N 1.10 1.34 -0.19 3.43 0.00 -0.12 0.52 119.26 125.34 3tmy h ALA 93 Ca 0.09 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3tmy h ALA 93 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3tmy h ALA 93 CO -0.03 0.47 -0.61 0.82 0.00 0.00 0.00 179.25 179.90 3tmy h ILE 94 N 0.67 1.31 -0.37 0.00 2.04 -0.75 0.34 117.51 120.75 3tmy h ILE 94 Ca 0.15 -1.86 -0.09 0.00 1.00 0.00 0.00 64.86 64.07 3tmy h ILE 94 Cb 0.25 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3tmy h ILE 94 CO -0.00 0.58 -0.14 0.11 0.00 0.00 0.00 178.15 178.70 3tmy h LYS 95 N 0.49 0.66 0.00 2.37 1.57 0.03 0.58 116.57 122.27 3tmy h LYS 95 Ca -0.01 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3tmy h LYS 95 Cb 1.19 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3tmy h LYS 95 CO 0.12 0.78 -0.11 0.00 -0.57 0.00 0.00 179.45 179.66 3tmy h ALA 96 N 1.25 1.34 0.00 3.86 0.00 0.63 -3.45 119.26 122.88 3tmy h ALA 96 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3tmy h ALA 96 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3tmy h ALA 96 CO 0.04 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3tmy n GLY 97 N -0.77 -0.25 3.75 0.00 0.00 0.19 -4.83 105.19 103.29 3tmy n GLY 97 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3tmy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tmy s ALA 98 N 0.00 2.47 -0.07 4.61 0.00 0.96 -4.72 121.76 125.01 3tmy s ALA 98 Ca 0.00 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 3tmy s ALA 98 Cb 0.00 -3.47 -0.28 0.00 0.00 0.00 0.00 23.12 19.37 3tmy s ALA 98 CO 0.00 -1.31 0.56 0.87 0.00 0.00 0.00 175.76 175.88 3tmy h LYS 99 N 0.69 0.30 0.00 0.00 1.79 0.04 -3.42 116.57 115.97 3tmy h LYS 99 Ca -0.50 -0.51 -0.16 0.00 -2.18 0.00 0.00 60.65 57.30 3tmy h LYS 99 Cb 1.30 0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 32.11 3tmy h LYS 99 CO 0.54 1.20 -0.04 -3.47 -1.08 0.00 0.00 179.45 176.60 3tmy n ASP 100 N -3.49 -1.05 -3.85 0.86 -0.08 -1.24 -5.06 116.55 102.64 3tmy n ASP 100 Ca -0.26 -2.24 -0.11 0.00 -1.51 0.00 0.00 54.79 50.66 3tmy n ASP 100 Cb 1.06 1.90 -0.09 0.00 2.34 0.00 0.00 41.12 46.33 3tmy n ASP 100 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3tmy s PHE 101 N -3.77 0.00 -0.02 -0.67 -0.71 -1.26 -0.74 117.98 110.81 3tmy s PHE 101 Ca 0.18 -0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.02 3tmy s PHE 101 Cb -0.01 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 3tmy s PHE 101 CO 0.13 -0.34 -0.14 0.42 -1.34 0.00 0.00 175.22 173.95 3tmy s ILE 102 N -1.63 1.11 0.18 -4.49 1.01 -0.21 -4.92 121.20 112.25 3tmy s ILE 102 Ca -0.12 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3tmy s ILE 102 Cb -0.06 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3tmy s ILE 102 CO 0.01 0.32 0.29 -0.69 0.00 0.00 0.00 174.94 174.87 3tmy s VAL 103 N -0.21 5.22 -0.02 2.92 1.01 -1.26 -1.12 120.40 126.93 3tmy s VAL 103 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3tmy s VAL 103 Cb -0.07 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3tmy s VAL 103 CO -0.00 -0.17 -0.11 -0.54 0.00 0.00 0.00 175.10 174.27 3tmy s LYS 104 N -3.47 2.49 0.72 2.72 1.02 0.64 -3.30 119.74 120.56 3tmy s LYS 104 Ca 0.34 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 3tmy s LYS 104 Cb -0.10 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 3tmy s LYS 104 CO 0.28 0.61 1.08 -1.25 -0.92 0.00 0.00 175.35 175.15 3tmy s PRO 105 N -1.06 2.75 0.14 -1.68 0.04 -1.26 -3.83 135.00 130.09 3tmy s PRO 105 Ca 0.14 0.66 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 3tmy s PRO 105 Cb -0.11 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3tmy s PRO 105 CO 0.04 -1.16 1.49 -0.06 0.04 0.00 0.00 177.00 177.35 3tmy s PHE 106 N -3.21 3.10 -0.48 0.56 0.08 -1.21 -5.01 117.98 111.82 3tmy s PHE 106 Ca 0.58 0.75 -0.10 0.00 0.12 0.00 0.00 56.93 58.29 3tmy s PHE 106 Cb -0.13 -3.82 0.12 0.00 -0.57 0.00 0.00 43.02 38.62 3tmy s PHE 106 CO 0.53 -2.99 0.36 -0.65 -0.10 0.00 0.00 175.22 172.38 3tmy s GLN 107 N 1.23 2.53 0.29 0.44 -0.21 -1.26 -5.00 119.66 117.68 3tmy s GLN 107 Ca 0.68 -1.77 0.03 0.00 0.02 0.00 0.00 55.36 54.32 3tmy s GLN 107 Cb -0.40 -3.97 0.70 0.00 1.00 0.00 0.00 33.01 30.34 3tmy s GLN 107 CO 0.31 -1.21 1.72 -1.35 -2.12 0.00 0.00 175.29 172.64 3tmy h PRO 108 N 8.49 0.48 -0.99 2.91 0.11 -1.98 0.17 132.00 141.18 3tmy h PRO 108 Ca -0.22 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.94 3tmy h PRO 108 Cb 1.07 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.01 3tmy h PRO 108 CO 0.88 0.32 0.63 0.66 -0.21 0.00 0.00 178.00 180.28 3tmy h SER 109 N 0.49 1.00 1.31 -2.05 4.64 -1.99 0.31 113.55 117.27 3tmy h SER 109 Ca 0.55 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.75 3tmy h SER 109 Cb 0.97 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3tmy h SER 109 CO -0.47 0.62 -0.70 0.03 -0.87 0.00 0.00 176.83 175.44 3tmy h ARG 110 N 1.12 0.00 0.26 4.77 2.47 -1.18 -1.27 114.38 120.56 3tmy h ARG 110 Ca 0.44 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.15 3tmy h ARG 110 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3tmy h ARG 110 CO -0.19 0.61 -0.13 0.28 0.56 0.00 0.00 179.97 181.11 3tmy h VAL 111 N 0.00 0.78 -0.93 2.04 2.07 -0.60 -2.36 116.25 117.26 3tmy h VAL 111 Ca -0.02 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3tmy h VAL 111 Cb 1.50 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 3tmy h VAL 111 CO 0.08 0.11 0.61 1.62 0.02 0.00 0.00 177.57 180.02 3tmy h VAL 112 N -0.65 1.21 0.22 2.57 3.04 -0.30 -1.68 116.25 120.67 3tmy h VAL 112 Ca -0.04 -0.42 0.01 0.00 -1.01 0.00 0.00 66.70 65.24 3tmy h VAL 112 Cb 0.46 -0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.58 3tmy h VAL 112 CO 0.06 0.22 -0.35 -0.08 -1.01 0.00 0.00 177.57 176.41 3tmy h GLU 113 N 1.23 -0.62 -0.18 4.17 4.81 -1.18 0.28 114.58 123.09 3tmy h GLU 113 Ca 0.35 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.67 3tmy h GLU 113 Cb -0.10 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 3tmy h GLU 113 CO -0.09 -0.41 -0.20 0.00 -0.73 0.00 0.00 179.01 177.58 3tmy h ALA 114 N -0.10 -0.10 -0.62 2.92 0.00 -1.10 0.40 119.26 120.66 3tmy h ALA 114 Ca 0.01 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3tmy h ALA 114 Cb 0.63 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 3tmy h ALA 114 CO -0.15 -0.63 0.23 -0.07 0.00 0.00 0.00 179.25 178.63 3tmy h LEU 115 N -0.22 0.23 -0.91 0.00 4.07 -1.05 -0.76 115.31 116.67 3tmy h LEU 115 Ca 0.12 0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 3tmy h LEU 115 Cb 0.40 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 3tmy h LEU 115 CO -0.31 0.13 0.44 0.78 -1.08 0.00 0.00 178.44 178.40 3tmy h ASN 116 N 0.41 1.10 -0.80 -0.43 2.35 0.65 -2.84 115.58 116.02 3tmy h ASN 116 Ca 0.31 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3tmy h ASN 116 Cb 0.39 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 3tmy h ASN 116 CO -0.31 0.91 0.44 0.11 -1.65 0.00 0.00 177.43 176.93 3tmy h LYS 117 N 1.21 1.11 0.00 0.81 1.57 0.42 -3.15 116.57 118.54 3tmy h LYS 117 Ca 0.30 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3tmy h LYS 117 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3tmy h LYS 117 CO -0.04 0.82 -0.21 0.28 -0.57 0.00 0.00 179.45 179.73 3tmy h VAL 118 N 1.11 0.63 0.00 0.50 2.07 -1.02 -3.51 116.25 116.02 3tmy h VAL 118 Ca 0.28 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3tmy h VAL 118 Cb 0.02 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3tmy h VAL 118 CO -0.05 0.20 0.00 -1.20 0.02 0.00 0.00 177.57 176.55