#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tmy n LYS 3 N 0.00 0.06 -3.34 1.61 4.76 -1.26 -4.93 118.16 115.06 2tmy n LYS 3 Ca 0.00 -0.59 -0.38 0.00 -2.87 0.00 0.00 58.31 54.47 2tmy n LYS 3 Cb 0.00 -0.86 -0.07 0.00 -1.84 0.00 0.00 35.03 32.26 2tmy n LYS 3 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2tmy s ARG 4 N -0.19 4.22 -0.06 1.97 0.52 -1.26 0.58 118.95 124.73 2tmy s ARG 4 Ca 0.00 0.31 0.04 0.00 -0.52 0.00 0.00 55.73 55.55 2tmy s ARG 4 Cb 0.00 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 2tmy s ARG 4 CO 0.00 -0.01 -0.15 0.08 0.02 0.00 0.00 175.30 175.23 2tmy s VAL 5 N 1.22 2.96 -0.22 3.52 1.01 0.15 0.17 120.40 129.21 2tmy s VAL 5 Ca 0.22 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2tmy s VAL 5 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2tmy s VAL 5 CO 0.09 0.58 -0.01 -0.22 0.00 0.00 0.00 175.10 175.54 2tmy s LEU 6 N -0.60 3.09 -0.17 3.92 2.96 -0.43 0.39 118.68 127.84 2tmy s LEU 6 Ca 0.09 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 2tmy s LEU 6 Cb -0.11 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2tmy s LEU 6 CO 0.01 0.01 0.37 -0.63 -1.32 0.00 0.00 176.35 174.78 2tmy s ILE 7 N 1.34 5.24 -0.22 6.68 1.01 -0.50 -0.50 121.20 134.25 2tmy s ILE 7 Ca 0.04 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.39 2tmy s ILE 7 Cb -0.15 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.66 2tmy s ILE 7 CO -0.00 0.32 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 2tmy s VAL 8 N 0.89 2.09 -0.29 2.92 1.01 0.80 -1.10 120.40 126.73 2tmy s VAL 8 Ca 0.19 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 2tmy s VAL 8 Cb -0.14 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.31 2tmy s VAL 8 CO 0.07 0.22 1.09 -0.62 0.00 0.00 0.00 175.10 175.86 2tmy s ASP 9 N 1.20 -0.39 0.32 3.32 -1.08 -0.59 -0.72 116.67 118.73 2tmy s ASP 9 Ca -0.03 0.71 0.16 0.00 -0.52 0.00 0.00 52.55 52.88 2tmy s ASP 9 Cb -0.17 0.84 0.44 0.00 -1.46 0.00 0.00 42.92 42.57 2tmy s ASP 9 CO -0.09 -0.12 1.62 -2.24 0.52 0.00 0.00 175.17 174.86 2tmy h ASP 10 N 4.53 0.00 -3.22 -0.34 2.03 -1.77 -3.38 116.42 114.28 2tmy h ASP 10 Ca -0.28 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.46 2tmy h ASP 10 Cb 1.18 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.62 2tmy h ASP 10 CO 0.14 0.47 1.04 0.00 -1.03 0.00 0.00 179.24 179.86 2tmy s ALA 11 N -3.37 2.98 0.22 4.15 0.00 -1.26 -4.93 121.76 119.54 2tmy s ALA 11 Ca 0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 2tmy s ALA 11 Cb 0.10 -4.00 0.28 0.00 0.00 0.00 0.00 23.12 19.50 2tmy s ALA 11 CO 0.72 -2.59 1.79 0.00 0.00 0.00 0.00 175.76 175.68 2tmy h ALA 12 N 10.32 0.93 0.00 0.00 0.00 -2.00 -0.29 119.26 128.22 2tmy h ALA 12 Ca -0.26 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2tmy h ALA 12 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2tmy h ALA 12 CO 1.14 0.00 -0.42 0.35 0.00 0.00 0.00 179.25 180.33 2tmy h PHE 13 N 0.64 0.00 -0.01 0.00 3.57 -1.98 -2.37 116.94 116.79 2tmy h PHE 13 Ca 0.32 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.61 2tmy h PHE 13 Cb 0.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2tmy h PHE 13 CO -0.09 0.42 -0.90 0.52 -2.23 0.00 0.00 178.31 176.03 2tmy h MET 14 N 0.00 0.39 -0.41 1.11 2.86 -1.64 -2.32 114.93 114.91 2tmy h MET 14 Ca -0.00 -0.40 0.05 0.00 -2.06 0.00 0.00 59.70 57.29 2tmy h MET 14 Cb 0.80 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.53 2tmy h MET 14 CO 0.05 1.07 0.15 0.00 1.06 0.00 0.00 176.91 179.24 2tmy h ARG 15 N 0.23 0.31 0.07 1.72 3.08 -0.78 -0.81 114.38 118.20 2tmy h ARG 15 Ca -0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2tmy h ARG 15 Cb 1.52 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.50 2tmy h ARG 15 CO 0.15 0.21 -0.04 1.98 -1.07 0.00 0.00 179.97 181.20 2tmy h MET 16 N 0.32 -0.09 -0.59 0.04 4.05 -1.45 -0.79 114.93 116.42 2tmy h MET 16 Ca 0.19 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.70 2tmy h MET 16 Cb 0.17 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 30.92 2tmy h MET 16 CO -0.19 0.13 0.23 1.98 0.23 0.00 0.00 176.91 179.29 2tmy h MET 17 N -0.31 0.41 -0.58 0.39 1.85 -1.15 0.41 114.93 115.95 2tmy h MET 17 Ca -0.01 -0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 59.00 2tmy h MET 17 Cb 0.27 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 2tmy h MET 17 CO 0.02 0.27 0.13 1.25 -0.40 0.00 0.00 176.91 178.18 2tmy h LEU 18 N 0.42 0.85 -0.66 3.39 5.85 -0.87 -1.30 115.31 122.99 2tmy h LEU 18 Ca 0.29 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2tmy h LEU 18 Cb 0.33 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2tmy h LEU 18 CO -0.28 0.83 0.25 0.50 -0.34 0.00 0.00 178.44 179.40 2tmy h LYS 19 N 0.86 1.00 0.10 1.25 3.64 0.20 0.56 116.57 124.18 2tmy h LYS 19 Ca 0.19 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2tmy h LYS 19 Cb 0.33 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2tmy h LYS 19 CO 0.00 0.85 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.40 2tmy h ASP 20 N 0.94 -0.54 0.84 4.20 3.32 -0.41 0.59 116.42 125.36 2tmy h ASP 20 Ca 0.22 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 2tmy h ASP 20 Cb 0.24 0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.00 2tmy h ASP 20 CO -0.01 -0.27 -0.40 0.40 -1.72 0.00 0.00 179.24 177.23 2tmy h ILE 21 N -0.36 0.13 -0.63 0.35 2.04 -0.84 0.41 117.51 118.61 2tmy h ILE 21 Ca 0.03 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.93 2tmy h ILE 21 Cb 0.39 0.14 -0.12 0.00 -0.74 0.00 0.00 36.82 36.49 2tmy h ILE 21 CO -0.11 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.10 2tmy h ILE 22 N -1.19 0.15 -0.28 -0.67 2.04 0.18 -1.63 117.51 116.11 2tmy h ILE 22 Ca -0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2tmy h ILE 22 Cb 0.87 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2tmy h ILE 22 CO 0.19 0.00 0.14 0.74 0.00 0.00 0.00 178.15 179.22 2tmy h THR 23 N -0.15 0.99 -0.22 -0.27 2.02 -0.76 -1.67 112.91 112.84 2tmy h THR 23 Ca 0.24 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 2tmy h THR 23 Cb 0.56 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2tmy h THR 23 CO -0.71 0.05 -0.08 0.11 0.37 0.00 0.00 175.52 175.26 2tmy h LYS 24 N 0.29 0.35 0.00 6.66 1.57 -0.16 0.43 116.57 125.72 2tmy h LYS 24 Ca 0.11 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2tmy h LYS 24 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2tmy h LYS 24 CO -0.08 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 2tmy n ALA 25 N -2.49 2.36 -0.69 3.86 0.00 -0.69 -4.84 120.51 118.03 2tmy n ALA 25 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2tmy n ALA 25 Cb 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2tmy n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmy n GLY 26 N 0.44 0.63 4.00 0.00 0.00 0.14 -5.06 105.19 105.34 2tmy n GLY 26 Ca 0.10 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2tmy n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2tmy s TYR 27 N -2.00 1.25 0.02 1.61 1.51 -0.67 -5.01 117.35 114.05 2tmy s TYR 27 Ca 0.00 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2tmy s TYR 27 Cb 0.00 -3.05 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 2tmy s TYR 27 CO 0.00 -1.92 -0.13 -2.00 -1.11 0.00 0.00 175.55 170.39 2tmy s GLU 28 N -5.23 0.91 -0.54 -0.62 2.12 0.19 -4.24 118.70 111.29 2tmy s GLU 28 Ca 0.69 -0.62 -0.23 0.00 0.36 0.00 0.00 54.97 55.17 2tmy s GLU 28 Cb -0.04 -0.89 0.05 0.00 0.26 0.00 0.00 34.13 33.50 2tmy s GLU 28 CO 0.46 0.23 0.87 0.08 -0.54 0.00 0.00 175.26 176.36 2tmy s VAL 29 N -0.64 4.49 0.20 3.70 1.01 -1.26 0.35 120.40 128.25 2tmy s VAL 29 Ca 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2tmy s VAL 29 Cb -0.07 -4.49 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 2tmy s VAL 29 CO 0.00 -1.06 1.51 0.00 0.00 0.00 0.00 175.10 175.55 2tmy h ALA 30 N 9.25 0.72 0.00 5.51 0.00 -0.39 -3.46 119.26 130.89 2tmy h ALA 30 Ca -0.26 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2tmy h ALA 30 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2tmy h ALA 30 CO 1.06 0.71 0.00 0.41 0.00 0.00 0.00 179.25 181.43 2tmy n GLY 31 N 0.31 -1.28 3.02 0.00 0.00 -1.17 -4.99 105.19 101.08 2tmy n GLY 31 Ca -0.03 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 2tmy n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tmy s GLU 32 N -1.77 0.56 0.05 1.61 2.02 -1.26 -1.41 118.70 118.50 2tmy s GLU 32 Ca 0.00 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 54.56 2tmy s GLU 32 Cb 0.00 -0.48 -0.03 0.00 0.10 0.00 0.00 34.13 33.72 2tmy s GLU 32 CO 0.00 0.12 -0.09 0.00 0.02 0.00 0.00 175.26 175.31 2tmy s ALA 33 N -0.62 0.69 -0.26 5.21 0.00 -0.25 -4.97 121.76 121.55 2tmy s ALA 33 Ca -0.02 -0.83 0.19 0.00 0.00 0.00 0.00 51.96 51.30 2tmy s ALA 33 Cb -0.05 0.02 -0.26 0.00 0.00 0.00 0.00 23.12 22.83 2tmy s ALA 33 CO 0.00 0.00 0.52 0.25 0.00 0.00 0.00 175.76 176.53 2tmy n THR 34 N 1.38 0.00 -4.06 0.00 -2.24 -1.26 -1.55 114.28 106.55 2tmy n THR 34 Ca -0.22 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2tmy n THR 34 Cb 0.55 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 2tmy n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2tmy s ASN 35 N -3.75 0.17 0.21 3.42 2.20 -1.26 -3.23 114.94 112.71 2tmy s ASN 35 Ca -0.03 -1.14 -0.09 0.00 -0.94 0.00 0.00 52.86 50.66 2tmy s ASN 35 Cb 0.13 0.56 0.30 0.00 -2.00 0.00 0.00 41.25 40.24 2tmy s ASN 35 CO 0.77 -1.12 1.73 1.23 -2.94 0.00 0.00 177.10 176.77 2tmy h GLY 36 N 2.29 0.86 0.71 0.45 0.00 -1.92 -1.57 103.07 103.90 2tmy h GLY 36 Ca -0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2tmy h GLY 36 CO 0.40 -0.05 -0.00 3.21 0.00 0.00 0.00 176.54 180.10 2tmy h ARG 37 N 0.38 0.06 -0.25 4.80 3.08 -1.97 -2.32 114.38 118.16 2tmy h ARG 37 Ca 0.32 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.41 2tmy h ARG 37 Cb 0.42 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 2tmy h ARG 37 CO -0.34 0.35 -0.22 1.49 -1.07 0.00 0.00 179.97 180.19 2tmy h GLU 38 N -0.24 -0.21 -0.85 0.04 4.81 -1.95 -1.57 114.58 114.61 2tmy h GLU 38 Ca 0.01 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.47 2tmy h GLU 38 Cb 0.33 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.62 2tmy h GLU 38 CO 0.00 -0.14 0.26 0.00 -0.73 0.00 0.00 179.01 178.40 2tmy h ALA 39 N 0.87 1.23 -0.09 2.92 0.00 -1.16 1.14 119.26 124.17 2tmy h ALA 39 Ca 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2tmy h ALA 39 Cb 0.43 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2tmy h ALA 39 CO -0.38 -0.41 0.02 0.28 0.00 0.00 0.00 179.25 178.77 2tmy h VAL 40 N 0.27 1.19 -0.32 0.00 2.07 -0.83 0.31 116.25 118.94 2tmy h VAL 40 Ca 0.52 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2tmy h VAL 40 Cb 1.00 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2tmy h VAL 40 CO -0.59 0.17 0.20 -0.08 0.02 0.00 0.00 177.57 177.28 2tmy h GLU 41 N -0.06 0.39 0.00 1.57 4.22 0.29 0.33 114.58 121.32 2tmy h GLU 41 Ca 0.03 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.39 2tmy h GLU 41 Cb 0.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2tmy h GLU 41 CO 0.00 0.26 -0.27 0.87 -2.18 0.00 0.00 179.01 177.69 2tmy h LYS 42 N 0.40 0.00 -0.37 1.92 1.57 0.13 -1.73 116.57 118.50 2tmy h LYS 42 Ca 0.12 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2tmy h LYS 42 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2tmy h LYS 42 CO -0.05 0.27 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.05 2tmy h TYR 43 N 0.00 0.84 -0.72 -1.35 5.03 0.46 0.27 116.97 121.50 2tmy h TYR 43 Ca -0.00 -0.20 -0.06 0.00 2.58 0.00 0.00 58.73 61.06 2tmy h TYR 43 Cb 0.86 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.90 2tmy h TYR 43 CO 0.00 0.91 0.23 0.87 -1.32 0.00 0.00 178.16 178.85 2tmy h LYS 44 N 0.53 1.11 -0.02 1.82 1.57 -0.67 0.16 116.57 121.08 2tmy h LYS 44 Ca 0.09 -0.23 -0.18 0.00 -1.87 0.00 0.00 60.65 58.46 2tmy h LYS 44 Cb 0.66 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2tmy h LYS 44 CO 0.05 0.94 -0.80 1.05 -0.57 0.00 0.00 179.45 180.12 2tmy h GLU 45 N 1.07 0.23 0.00 3.15 4.11 -0.92 -3.36 114.58 118.87 2tmy h GLU 45 Ca 0.24 -0.22 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 2tmy h GLU 45 Cb 0.29 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2tmy h GLU 45 CO -0.01 0.91 -1.71 1.28 0.07 0.00 0.00 179.01 179.55 2tmy n LEU 46 N -3.73 0.00 -3.73 3.06 4.77 0.92 -5.01 117.00 113.28 2tmy n LEU 46 Ca -0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 2tmy n LEU 46 Cb 0.75 0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.90 2tmy n LEU 46 CO 0.47 0.03 -0.09 0.29 -1.33 0.00 0.00 177.39 176.76 2tmy n LYS 47 N -2.07 -1.08 -1.23 3.23 5.02 0.56 -4.87 118.16 117.71 2tmy n LYS 47 Ca -0.05 0.57 -0.30 0.00 -2.02 0.00 0.00 58.31 56.51 2tmy n LYS 47 Cb 0.45 -3.45 0.14 0.00 -0.02 0.00 0.00 35.03 32.14 2tmy n LYS 47 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2tmy s PRO 48 N -5.70 1.28 -0.02 1.97 0.04 -1.26 -4.98 135.00 126.34 2tmy s PRO 48 Ca 0.30 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 61.91 2tmy s PRO 48 Cb -0.13 -1.81 -0.24 0.00 0.04 0.00 0.00 34.50 32.36 2tmy s PRO 48 CO 0.88 -2.21 1.06 -0.44 0.04 0.00 0.00 177.00 176.33 2tmy h ASP 49 N -1.53 0.41 -3.51 6.66 3.32 0.14 -3.47 116.42 118.44 2tmy h ASP 49 Ca -0.49 -0.78 -0.45 0.00 0.02 0.00 0.00 57.03 55.33 2tmy h ASP 49 Cb 1.28 -0.13 -0.16 0.00 0.22 0.00 0.00 39.33 40.55 2tmy h ASP 49 CO 0.55 1.14 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.83 2tmy s ILE 50 N -3.14 1.63 -0.07 0.35 1.01 0.23 -4.27 121.20 116.95 2tmy s ILE 50 Ca -0.14 -2.03 0.02 0.00 0.00 0.00 0.00 60.65 58.49 2tmy s ILE 50 Cb 0.02 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.63 2tmy s ILE 50 CO 0.79 -0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.43 2tmy s VAL 51 N -2.61 1.07 -0.20 2.92 1.01 0.94 -1.31 120.40 122.21 2tmy s VAL 51 Ca 0.18 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 2tmy s VAL 51 Cb -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2tmy s VAL 51 CO 0.05 0.34 0.03 0.42 0.00 0.00 0.00 175.10 175.95 2tmy s THR 52 N 0.78 4.31 -0.11 3.92 -4.23 0.34 -0.14 115.64 120.50 2tmy s THR 52 Ca -0.13 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.19 2tmy s THR 52 Cb -0.15 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2tmy s THR 52 CO 0.02 0.42 -0.08 -0.32 -0.54 0.00 0.00 174.62 174.12 2tmy s MET 53 N 0.89 1.55 -0.00 3.99 0.00 0.04 -0.14 119.30 125.63 2tmy s MET 53 Ca 0.02 -0.27 -0.30 0.00 0.00 0.00 0.00 55.69 55.14 2tmy s MET 53 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 34.83 33.06 2tmy s MET 53 CO 0.02 -0.25 1.15 0.34 0.00 0.00 0.00 175.02 176.28 2tmy s ASP 54 N 1.66 7.13 -0.00 1.11 2.15 0.10 -0.53 116.67 128.29 2tmy s ASP 54 Ca 0.04 1.85 0.01 0.00 0.43 0.00 0.00 52.55 54.87 2tmy s ASP 54 Cb -0.13 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 2tmy s ASP 54 CO -0.08 -0.47 0.85 2.30 -0.17 0.00 0.00 175.17 177.60 2tmy n ILE 55 N 4.20 0.70 -0.15 4.11 -5.35 -0.48 -4.71 119.36 117.68 2tmy n ILE 55 Ca 0.09 -0.71 -0.02 0.00 -0.27 0.00 0.00 62.75 61.83 2tmy n ILE 55 Cb 0.47 0.63 0.06 0.00 -1.74 0.00 0.00 39.64 39.07 2tmy n ILE 55 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2tmy h THR 56 N 1.02 0.66 -3.21 7.28 1.35 -1.91 -3.36 112.91 114.73 2tmy h THR 56 Ca 0.00 -0.05 -0.72 0.00 -0.55 0.00 0.00 66.41 65.08 2tmy h THR 56 Cb 0.68 0.49 -0.21 0.00 -1.73 0.00 0.00 68.15 67.38 2tmy h THR 56 CO 0.00 0.03 -0.15 -0.04 -0.25 0.00 0.00 175.52 175.11 2tmy s MET 57 N -6.16 3.03 0.58 4.72 -1.94 -1.26 -4.94 119.30 113.34 2tmy s MET 57 Ca -0.13 -1.26 0.34 0.00 -1.71 0.00 0.00 55.69 52.93 2tmy s MET 57 Cb 0.16 -4.16 1.81 0.00 2.01 0.00 0.00 34.83 34.65 2tmy s MET 57 CO 0.72 -1.19 2.19 -1.00 -0.01 0.00 0.00 175.02 175.73 2tmy h PRO 58 N 8.89 0.00 0.00 2.03 0.13 -1.99 -1.17 132.00 139.89 2tmy h PRO 58 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2tmy h PRO 58 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2tmy h PRO 58 CO 0.95 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.92 2tmy n GLU 59 N -3.42 0.00 0.00 0.86 0.00 -1.26 -0.43 120.64 116.39 2tmy n GLU 59 Ca -0.02 0.33 0.12 0.00 0.00 0.00 0.00 57.16 57.59 2tmy n GLU 59 Cb 0.17 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.37 2tmy n GLU 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2tmy n MET 60 N -1.50 0.41 -3.01 3.44 2.81 -0.44 -4.95 117.12 113.88 2tmy n MET 60 Ca 0.02 -0.25 -0.22 0.00 -1.81 0.00 0.00 57.70 55.44 2tmy n MET 60 Cb 0.11 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.16 2tmy n MET 60 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2tmy n ASN 61 N -1.07 -5.97 0.08 7.83 5.15 0.43 -4.58 115.26 117.13 2tmy n ASN 61 Ca 0.08 -0.28 0.13 0.00 -0.60 0.00 0.00 54.58 53.92 2tmy n ASN 61 Cb 0.35 -4.84 0.62 0.00 -0.53 0.00 0.00 39.78 35.38 2tmy n ASN 61 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2tmy h GLY 62 N -1.28 0.14 1.83 8.20 0.00 -1.82 -0.25 103.07 109.89 2tmy h GLY 62 Ca -0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 2tmy h GLY 62 CO 0.57 0.03 -0.17 -2.22 0.00 0.00 0.00 176.54 174.75 2tmy h ILE 63 N 0.11 1.19 0.00 2.60 1.08 -1.92 -0.05 117.51 120.52 2tmy h ILE 63 Ca 0.16 -0.87 -0.09 0.00 -0.39 0.00 0.00 64.86 63.67 2tmy h ILE 63 Cb 0.51 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 2tmy h ILE 63 CO -0.02 0.27 -0.45 -0.78 -0.69 0.00 0.00 178.15 176.48 2tmy h ASP 64 N 0.19 0.00 -0.03 1.72 3.58 -1.41 -2.94 116.42 117.54 2tmy h ASP 64 Ca 0.04 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 2tmy h ASP 64 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2tmy h ASP 64 CO 0.03 0.45 -0.43 0.00 -2.88 0.00 0.00 179.24 176.41 2tmy h ALA 65 N 1.55 0.83 -0.27 -0.78 0.00 -0.81 -0.85 119.26 118.94 2tmy h ALA 65 Ca -0.00 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2tmy h ALA 65 Cb 0.94 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2tmy h ALA 65 CO 0.06 0.65 -0.12 0.82 0.00 0.00 0.00 179.25 180.66 2tmy h ILE 66 N 0.45 0.61 -0.53 0.00 2.04 -1.19 -0.61 117.51 118.29 2tmy h ILE 66 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2tmy h ILE 66 Cb 0.93 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2tmy h ILE 66 CO 0.08 0.00 0.27 0.11 0.00 0.00 0.00 178.15 178.61 2tmy h LYS 67 N -0.08 0.75 -0.71 2.37 1.57 -1.42 -1.16 116.57 117.88 2tmy h LYS 67 Ca 0.14 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2tmy h LYS 67 Cb 0.29 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2tmy h LYS 67 CO -0.32 0.60 0.44 0.93 -0.57 0.00 0.00 179.45 180.53 2tmy h GLU 68 N 0.71 0.81 -0.10 3.15 4.39 -0.30 -2.20 114.58 121.04 2tmy h GLU 68 Ca 0.18 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 2tmy h GLU 68 Cb 0.08 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2tmy h GLU 68 CO -0.03 0.54 -0.32 0.82 -1.16 0.00 0.00 179.01 178.86 2tmy h ILE 69 N 0.83 1.26 -0.27 3.13 2.04 -0.41 -2.78 117.51 121.32 2tmy h ILE 69 Ca 0.30 -1.25 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 2tmy h ILE 69 Cb 0.08 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2tmy h ILE 69 CO -0.13 0.37 -0.20 0.24 0.00 0.00 0.00 178.15 178.43 2tmy h MET 70 N 0.16 0.50 -0.13 2.37 2.86 -0.63 0.28 114.93 120.34 2tmy h MET 70 Ca 0.02 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2tmy h MET 70 Cb 0.65 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2tmy h MET 70 CO 0.05 0.67 0.08 0.87 1.06 0.00 0.00 176.91 179.64 2tmy h LYS 71 N 0.45 0.16 -0.15 1.72 1.57 -1.20 -2.32 116.57 116.80 2tmy h LYS 71 Ca 0.07 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2tmy h LYS 71 Cb 0.60 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2tmy h LYS 71 CO 0.04 0.11 -0.25 0.82 -0.57 0.00 0.00 179.45 179.60 2tmy h ILE 72 N 0.17 1.24 -1.24 1.86 2.04 -1.26 -3.41 117.51 116.90 2tmy h ILE 72 Ca 0.05 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 2tmy h ILE 72 Cb -0.01 1.41 -0.23 0.00 -0.74 0.00 0.00 36.82 37.24 2tmy h ILE 72 CO -0.02 0.35 -0.44 -0.62 0.00 0.00 0.00 178.15 177.42 2tmy s ASP 73 N -6.86 -0.93 0.00 1.72 2.15 0.95 -5.00 116.67 108.69 2tmy s ASP 73 Ca -0.05 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2tmy s ASP 73 Cb 0.14 1.71 0.00 0.00 -0.30 0.00 0.00 42.92 44.47 2tmy s ASP 73 CO 0.76 -0.31 0.63 -0.81 -0.17 0.00 0.00 175.17 175.27 2tmy n PRO 74 N 5.33 0.70 -0.04 4.34 -0.04 -0.89 -2.38 135.00 142.03 2tmy n PRO 74 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2tmy n PRO 74 Cb 0.52 -1.07 0.04 0.00 -0.04 0.00 0.00 33.50 32.95 2tmy n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2tmy n ASN 75 N -0.37 1.89 -4.77 3.54 5.03 -1.26 -5.05 115.26 114.26 2tmy n ASN 75 Ca 0.00 -1.63 -0.40 0.00 0.87 0.00 0.00 54.58 53.42 2tmy n ASN 75 Cb 0.03 -0.05 -0.00 0.00 -1.02 0.00 0.00 39.78 38.75 2tmy n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2tmy s ALA 76 N -0.70 3.35 -0.27 5.41 0.00 -1.00 -4.98 121.76 123.58 2tmy s ALA 76 Ca 0.07 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.35 2tmy s ALA 76 Cb 0.04 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2tmy s ALA 76 CO 0.05 -0.94 0.01 0.15 0.00 0.00 0.00 175.76 175.03 2tmy s LYS 77 N -2.20 3.06 -0.10 0.00 1.02 -1.26 -4.91 119.74 115.34 2tmy s LYS 77 Ca 0.56 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.71 2tmy s LYS 77 Cb -0.42 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2tmy s LYS 77 CO 0.54 -0.39 -0.15 0.42 -0.92 0.00 0.00 175.35 174.85 2tmy s ILE 78 N 1.44 1.49 -0.03 2.17 1.01 -1.26 -0.04 121.20 125.97 2tmy s ILE 78 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 2tmy s ILE 78 Cb -0.17 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2tmy s ILE 78 CO -0.01 0.44 0.06 -0.63 0.00 0.00 0.00 174.94 174.80 2tmy s ILE 79 N 0.93 4.65 -0.07 2.92 1.01 0.80 -1.00 121.20 130.43 2tmy s ILE 79 Ca -0.08 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2tmy s ILE 79 Cb -0.15 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 2tmy s ILE 79 CO -0.01 0.43 -0.14 0.54 0.00 0.00 0.00 174.94 175.77 2tmy s VAL 80 N -1.10 3.10 -0.19 2.92 0.11 -0.45 -0.78 120.40 124.00 2tmy s VAL 80 Ca 0.20 -0.69 -0.13 0.00 -2.93 0.00 0.00 61.98 58.43 2tmy s VAL 80 Cb -0.12 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.45 2tmy s VAL 80 CO 0.10 0.57 0.25 0.00 -3.33 0.00 0.00 175.10 172.70 2tmy s SER 82 N 0.66 2.44 0.45 0.00 1.04 -0.52 -1.39 113.70 116.38 2tmy s SER 82 Ca 0.14 -1.68 0.06 0.00 0.48 0.00 0.00 55.95 54.94 2tmy s SER 82 Cb -0.13 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2tmy s SER 82 CO 0.03 -0.95 0.12 0.00 0.98 0.00 0.00 173.24 173.42 2tmy s ALA 83 N -3.30 3.69 0.28 5.32 0.00 -1.26 -0.42 121.76 126.06 2tmy s ALA 83 Ca 0.28 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 2tmy s ALA 83 Cb 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 23.12 22.85 2tmy s ALA 83 CO 0.17 -0.15 1.59 -1.33 0.00 0.00 0.00 175.76 176.04 2tmy n MET 84 N -1.23 2.65 -0.70 0.00 0.00 -1.25 -2.33 117.12 114.25 2tmy n MET 84 Ca -0.06 0.94 0.00 0.00 0.00 0.00 0.00 57.70 58.58 2tmy n MET 84 Cb 0.66 -2.72 0.00 0.00 0.00 0.00 0.00 33.22 31.16 2tmy n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2tmy n GLY 85 N 2.36 0.59 1.33 3.03 0.00 -1.26 -4.95 105.19 106.29 2tmy n GLY 85 Ca 0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 2tmy n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tmy n GLN 86 N -2.70 2.53 -0.34 1.61 6.02 -0.99 -4.73 117.38 118.77 2tmy n GLN 86 Ca 0.00 -3.05 0.23 0.00 -0.01 0.00 0.00 57.00 54.18 2tmy n GLN 86 Cb 0.00 -1.93 0.47 0.00 1.02 0.00 0.00 30.24 29.80 2tmy n GLN 86 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2tmy h GLN 87 N 1.52 0.36 -0.44 -1.09 1.08 -1.93 0.72 115.11 115.33 2tmy h GLN 87 Ca 0.21 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 2tmy h GLN 87 Cb 1.84 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.17 2tmy h GLN 87 CO 0.47 0.24 0.17 0.00 -0.95 0.00 0.00 178.83 178.76 2tmy h ALA 88 N 1.77 0.58 -0.07 3.87 0.00 -1.99 0.15 119.26 123.56 2tmy h ALA 88 Ca 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2tmy h ALA 88 Cb 1.62 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2tmy h ALA 88 CO -0.52 0.19 0.02 0.52 0.00 0.00 0.00 179.25 179.46 2tmy h MET 89 N 0.57 0.12 -0.69 0.00 2.86 -1.29 -1.26 114.93 115.25 2tmy h MET 89 Ca 0.15 -0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.91 2tmy h MET 89 Cb 0.21 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.74 2tmy h MET 89 CO -0.01 0.32 0.08 0.28 1.06 0.00 0.00 176.91 178.63 2tmy h VAL 90 N -0.10 0.48 -0.84 -2.22 2.07 -1.04 0.24 116.25 114.84 2tmy h VAL 90 Ca 0.02 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2tmy h VAL 90 Cb 0.25 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2tmy h VAL 90 CO 0.00 0.03 0.39 0.40 0.02 0.00 0.00 177.57 178.42 2tmy h ILE 91 N 0.18 1.26 -0.12 4.57 2.04 -0.43 0.19 117.51 125.21 2tmy h ILE 91 Ca 0.38 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 2tmy h ILE 91 Cb 0.63 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2tmy h ILE 91 CO -0.54 0.32 -0.21 -0.33 0.00 0.00 0.00 178.15 177.39 2tmy h GLU 92 N 1.20 0.20 -0.05 2.37 3.07 0.37 0.41 114.58 122.15 2tmy h GLU 92 Ca 0.29 -0.06 -0.25 0.00 -0.50 0.00 0.00 59.36 58.84 2tmy h GLU 92 Cb 0.13 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2tmy h GLU 92 CO -0.03 0.41 -0.93 0.00 -1.40 0.00 0.00 179.01 177.06 2tmy h ALA 93 N 1.60 0.19 -0.54 3.43 0.00 0.10 -0.55 119.26 123.49 2tmy h ALA 93 Ca 0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2tmy h ALA 93 Cb 0.48 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2tmy h ALA 93 CO 0.03 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.89 2tmy h ILE 94 N 0.42 1.25 -0.82 0.00 5.03 -0.43 -0.96 117.51 121.99 2tmy h ILE 94 Ca -0.10 -0.88 0.11 0.00 -0.12 0.00 0.00 64.86 63.87 2tmy h ILE 94 Cb 1.58 0.79 -0.08 0.00 -3.03 0.00 0.00 36.82 36.07 2tmy h ILE 94 CO 0.19 0.32 0.45 0.11 -0.68 0.00 0.00 178.15 178.54 2tmy h LYS 95 N 0.76 0.70 -0.02 2.37 1.57 -0.04 -2.24 116.57 119.67 2tmy h LYS 95 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2tmy h LYS 95 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2tmy h LYS 95 CO 0.00 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 2tmy n ALA 96 N -2.40 2.62 0.00 3.86 0.00 -0.23 -4.87 120.51 119.49 2tmy n ALA 96 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2tmy n ALA 96 Cb 0.33 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2tmy n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmy n GLY 97 N 0.87 1.68 3.77 0.00 0.00 -0.84 -4.64 105.19 106.03 2tmy n GLY 97 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2tmy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmy s ALA 98 N -1.66 3.21 -0.22 4.61 0.00 -0.44 -4.77 121.76 122.49 2tmy s ALA 98 Ca 0.00 1.39 0.22 0.00 0.00 0.00 0.00 51.96 53.57 2tmy s ALA 98 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2tmy s ALA 98 CO 0.00 -1.11 1.02 0.87 0.00 0.00 0.00 175.76 176.54 2tmy h LYS 99 N 2.33 0.00 -2.65 0.00 1.57 -1.40 -3.40 116.57 113.02 2tmy h LYS 99 Ca -0.51 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.39 2tmy h LYS 99 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 2tmy h LYS 99 CO 0.61 0.04 0.47 0.34 -0.57 0.00 0.00 179.45 180.34 2tmy s ASP 100 N -5.42 -0.03 -0.02 0.86 2.15 -1.24 -5.04 116.67 107.93 2tmy s ASP 100 Ca -0.01 -0.76 -0.15 0.00 0.43 0.00 0.00 52.55 52.06 2tmy s ASP 100 Cb 0.09 0.61 0.02 0.00 -0.30 0.00 0.00 42.92 43.34 2tmy s ASP 100 CO 0.79 -1.19 0.31 0.72 -0.17 0.00 0.00 175.17 175.63 2tmy s PHE 101 N -2.46 -0.18 0.30 -5.34 -0.71 -1.26 -1.34 117.98 106.98 2tmy s PHE 101 Ca 0.18 0.28 0.11 0.00 -1.04 0.00 0.00 56.93 56.46 2tmy s PHE 101 Cb -0.03 0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 2tmy s PHE 101 CO 0.07 -0.38 -0.13 0.96 -1.34 0.00 0.00 175.22 174.39 2tmy s ILE 102 N -1.29 2.55 0.02 -4.49 -4.36 0.47 -4.90 121.20 109.21 2tmy s ILE 102 Ca -0.13 -2.27 0.07 0.00 -0.26 0.00 0.00 60.65 58.06 2tmy s ILE 102 Cb -0.05 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 2tmy s ILE 102 CO 0.04 -0.33 -0.20 -0.69 0.24 0.00 0.00 174.94 173.99 2tmy s VAL 103 N -2.51 1.63 0.04 8.37 1.01 -1.26 -1.44 120.40 126.24 2tmy s VAL 103 Ca 0.31 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 2tmy s VAL 103 Cb -0.03 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 2tmy s VAL 103 CO 0.16 0.29 0.43 -0.54 0.00 0.00 0.00 175.10 175.45 2tmy s LYS 104 N -0.92 3.91 0.25 2.72 1.02 0.43 -2.94 119.74 124.21 2tmy s LYS 104 Ca 0.07 0.39 -0.23 0.00 0.02 0.00 0.00 55.97 56.22 2tmy s LYS 104 Cb -0.08 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 2tmy s LYS 104 CO 0.01 0.64 0.82 -1.25 -0.92 0.00 0.00 175.35 174.65 2tmy s PRO 105 N -1.36 4.46 0.40 -1.68 0.04 -1.26 -3.87 135.00 131.72 2tmy s PRO 105 Ca 0.28 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 2tmy s PRO 105 Cb -0.16 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 2tmy s PRO 105 CO 0.15 0.39 1.30 1.19 0.04 0.00 0.00 177.00 180.08 2tmy n PHE 106 N 0.87 2.27 -3.89 0.56 3.72 -1.15 -5.01 117.46 114.84 2tmy n PHE 106 Ca -0.01 0.51 -0.33 0.00 -0.05 0.00 0.00 57.45 57.56 2tmy n PHE 106 Cb 0.50 -2.40 -0.13 0.00 -0.94 0.00 0.00 39.48 36.51 2tmy n PHE 106 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2tmy s GLN 107 N -2.13 1.92 0.10 -1.08 -0.21 -1.26 -5.01 119.66 111.98 2tmy s GLN 107 Ca 0.59 -2.15 -0.04 0.00 0.02 0.00 0.00 55.36 53.77 2tmy s GLN 107 Cb -0.52 -3.42 0.14 0.00 1.00 0.00 0.00 33.01 30.21 2tmy s GLN 107 CO 0.60 -1.05 0.59 -2.30 -2.12 0.00 0.00 175.29 171.00 2tmy n PRO 108 N 3.94 -0.05 -0.16 2.91 -0.02 -1.26 0.25 135.00 140.61 2tmy n PRO 108 Ca 0.03 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 62.07 2tmy n PRO 108 Cb 0.39 -0.87 0.06 0.00 -0.02 0.00 0.00 33.50 33.06 2tmy n PRO 108 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2tmy h SER 109 N 0.00 -0.07 -0.69 2.55 0.87 -1.99 0.36 113.55 114.58 2tmy h SER 109 Ca 0.16 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2tmy h SER 109 Cb 0.26 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2tmy h SER 109 CO -0.38 -0.01 0.16 0.03 -0.53 0.00 0.00 176.83 176.10 2tmy h ARG 110 N 0.19 1.11 -0.54 2.24 2.47 0.30 -0.95 114.38 119.20 2tmy h ARG 110 Ca 0.25 -0.27 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 2tmy h ARG 110 Cb 0.35 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2tmy h ARG 110 CO -0.35 0.99 0.04 0.28 0.56 0.00 0.00 179.97 181.49 2tmy h VAL 111 N 1.04 1.26 -0.74 2.04 2.07 -0.89 -0.88 116.25 120.15 2tmy h VAL 111 Ca 0.22 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2tmy h VAL 111 Cb 0.38 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2tmy h VAL 111 CO 0.00 0.37 0.47 0.58 0.02 0.00 0.00 177.57 179.01 2tmy h VAL 112 N 0.80 1.20 -0.01 2.57 2.07 -0.67 -0.31 116.25 121.90 2tmy h VAL 112 Ca 0.16 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2tmy h VAL 112 Cb 0.47 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2tmy h VAL 112 CO 0.02 0.20 0.00 -0.08 0.02 0.00 0.00 177.57 177.73 2tmy h GLU 113 N 1.01 0.01 -0.15 1.57 4.81 -0.99 0.11 114.58 120.94 2tmy h GLU 113 Ca 0.27 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 2tmy h GLU 113 Cb -0.07 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 2tmy h GLU 113 CO -0.05 0.14 -0.31 0.00 -0.73 0.00 0.00 179.01 178.06 2tmy h ALA 114 N 0.87 -0.33 0.07 2.92 0.00 -0.95 0.23 119.26 122.07 2tmy h ALA 114 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2tmy h ALA 114 Cb 0.13 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2tmy h ALA 114 CO -0.00 -0.77 -0.23 -0.07 0.00 0.00 0.00 179.25 178.18 2tmy h LEU 115 N -0.37 -0.66 0.01 0.00 3.38 -0.84 -1.34 115.31 115.50 2tmy h LEU 115 Ca 0.10 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2tmy h LEU 115 Cb 0.53 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2tmy h LEU 115 CO -0.36 -0.31 -0.14 0.78 0.09 0.00 0.00 178.44 178.49 2tmy h ASN 116 N -0.40 -0.41 -0.70 -0.43 2.35 -0.42 -1.46 115.58 114.10 2tmy h ASN 116 Ca 0.04 0.06 0.15 0.00 -0.55 0.00 0.00 56.30 56.00 2tmy h ASN 116 Cb 0.45 0.17 -0.11 0.00 0.05 0.00 0.00 38.32 38.88 2tmy h ASN 116 CO -0.16 -0.20 0.11 0.11 -1.65 0.00 0.00 177.43 175.63 2tmy h LYS 117 N -0.25 0.20 0.00 0.81 1.57 -0.13 -2.27 116.57 116.49 2tmy h LYS 117 Ca 0.04 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2tmy h LYS 117 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2tmy h LYS 117 CO -0.13 0.13 -0.48 -0.24 -0.57 0.00 0.00 179.45 178.16 2tmy h VAL 118 N 0.20 0.98 0.00 0.50 3.04 -1.06 -3.51 116.25 116.40 2tmy h VAL 118 Ca 0.39 -1.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.17 2tmy h VAL 118 Cb 0.66 2.15 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 2tmy h VAL 118 CO -0.53 0.47 0.00 -1.20 -1.01 0.00 0.00 177.57 175.29