#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 -3.43 1.61 2.85 -1.26 -5.02 118.16 112.91 3tmy n LYS 3 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 3tmy n LYS 3 Cb 0.00 -0.05 -0.10 0.00 -0.65 0.00 0.00 35.03 34.24 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 3.66 -0.15 -1.58 0.52 -1.25 -0.22 118.95 119.93 3tmy s ARG 4 Ca 0.00 -0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 3tmy s ARG 4 Cb 0.00 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 3tmy s ARG 4 CO 0.00 -0.45 0.03 0.08 0.02 0.00 0.00 175.30 174.98 3tmy s VAL 5 N 1.97 4.56 -0.22 3.52 1.01 0.21 -0.00 120.40 131.45 3tmy s VAL 5 Ca 0.11 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 3tmy s VAL 5 Cb -0.16 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3tmy s VAL 5 CO 0.11 0.52 0.14 -0.22 0.00 0.00 0.00 175.10 175.65 3tmy s LEU 6 N -0.09 4.12 -0.32 3.92 0.20 0.18 -1.43 118.68 125.25 3tmy s LEU 6 Ca 0.05 0.14 -0.11 0.00 0.69 0.00 0.00 54.13 54.91 3tmy s LEU 6 Cb -0.12 -2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 43.54 3tmy s LEU 6 CO 0.02 0.11 0.18 -0.63 -0.29 0.00 0.00 176.35 175.74 3tmy s ILE 7 N 0.78 4.88 -0.24 6.68 1.01 -0.57 -0.84 121.20 132.91 3tmy s ILE 7 Ca 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 3tmy s ILE 7 Cb -0.13 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3tmy s ILE 7 CO 0.02 0.05 -0.03 -0.69 0.00 0.00 0.00 174.94 174.29 3tmy s VAL 8 N 1.66 3.36 -0.17 2.92 1.01 0.14 -1.45 120.40 127.86 3tmy s VAL 8 Ca 0.05 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3tmy s VAL 8 Cb -0.17 -2.59 0.13 0.00 0.00 0.00 0.00 36.38 33.74 3tmy s VAL 8 CO 0.08 0.33 1.01 -0.62 0.00 0.00 0.00 175.10 175.90 3tmy s ASP 9 N 1.45 -0.36 0.26 3.32 -1.08 -0.66 -0.52 116.67 119.08 3tmy s ASP 9 Ca 0.04 0.41 0.18 0.00 -0.52 0.00 0.00 52.55 52.66 3tmy s ASP 9 Cb -0.15 0.32 0.07 0.00 -1.46 0.00 0.00 42.92 41.70 3tmy s ASP 9 CO -0.03 -0.33 1.30 -2.24 0.52 0.00 0.00 175.17 174.40 3tmy h ASP 10 N 2.62 0.00 -3.59 -0.34 2.03 -1.80 -3.36 116.42 111.97 3tmy h ASP 10 Ca -0.18 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.47 3tmy h ASP 10 Cb 1.16 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.51 3tmy h ASP 10 CO 0.30 0.36 0.02 0.00 -1.03 0.00 0.00 179.24 178.89 3tmy s ALA 11 N -3.05 3.43 0.24 4.15 0.00 -1.26 -4.96 121.76 120.31 3tmy s ALA 11 Ca 0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 3tmy s ALA 11 Cb 0.08 -3.13 0.43 0.00 0.00 0.00 0.00 23.12 20.50 3tmy s ALA 11 CO 0.75 -1.44 1.65 0.00 0.00 0.00 0.00 175.76 176.72 3tmy h ALA 12 N 8.60 0.80 -0.88 0.00 0.00 -2.00 -0.56 119.26 125.23 3tmy h ALA 12 Ca -0.27 0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3tmy h ALA 12 Cb 1.11 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 3tmy h ALA 12 CO 0.82 -0.41 0.53 0.35 0.00 0.00 0.00 179.25 180.54 3tmy h PHE 13 N 0.14 0.97 -0.57 0.00 3.57 -1.99 -1.08 116.94 117.98 3tmy h PHE 13 Ca 0.40 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.83 3tmy h PHE 13 Cb 0.70 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3tmy h PHE 13 CO -0.38 0.43 -0.04 1.98 -2.23 0.00 0.00 178.31 178.08 3tmy h MET 14 N 0.91 1.03 -0.82 1.11 4.05 -1.54 0.47 114.93 120.14 3tmy h MET 14 Ca 0.41 -0.35 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3tmy h MET 14 Cb 0.30 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.98 3tmy h MET 14 CO -0.22 1.04 0.53 0.00 0.23 0.00 0.00 176.91 178.49 3tmy h ARG 15 N 0.91 1.09 0.03 0.39 3.08 -1.11 0.98 114.38 119.74 3tmy h ARG 15 Ca 0.16 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3tmy h ARG 15 Cb 0.60 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3tmy h ARG 15 CO 0.04 0.73 -0.01 1.98 -1.07 0.00 0.00 179.97 181.63 3tmy h MET 16 N 1.11 -0.04 -0.93 0.04 4.05 -0.18 0.21 114.93 119.20 3tmy h MET 16 Ca 0.30 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.76 3tmy h MET 16 Cb -0.11 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.64 3tmy h MET 16 CO -0.06 0.16 0.60 0.52 0.23 0.00 0.00 176.91 178.36 3tmy h MET 17 N -0.23 1.10 -0.15 0.39 2.86 -0.78 -1.04 114.93 117.08 3tmy h MET 17 Ca -0.00 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 3tmy h MET 17 Cb 0.21 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3tmy h MET 17 CO 0.01 0.73 -0.54 1.25 1.06 0.00 0.00 176.91 179.42 3tmy h LEU 18 N 1.14 0.49 -0.44 1.22 5.85 0.10 -2.82 115.31 120.85 3tmy h LEU 18 Ca 0.38 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3tmy h LEU 18 Cb 0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3tmy h LEU 18 CO -0.14 0.94 0.15 0.50 -0.34 0.00 0.00 178.44 179.55 3tmy h LYS 19 N 0.35 0.68 -0.26 1.25 3.64 -0.06 -1.54 116.57 120.62 3tmy h LYS 19 Ca 0.01 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3tmy h LYS 19 Cb 1.06 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.72 3tmy h LYS 19 CO 0.10 0.65 -0.39 -0.44 -2.27 0.00 0.00 179.45 177.10 3tmy h ASP 20 N 0.58 -1.30 -0.34 4.20 3.32 -1.07 -0.97 116.42 120.84 3tmy h ASP 20 Ca 0.14 0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.43 3tmy h ASP 20 Cb 0.25 0.53 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 3tmy h ASP 20 CO -0.01 -0.29 -0.09 0.40 -1.72 0.00 0.00 179.24 177.53 3tmy h ILE 21 N -0.30 0.65 -0.23 0.35 2.04 -1.38 -2.14 117.51 116.50 3tmy h ILE 21 Ca 0.05 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3tmy h ILE 21 Cb 0.43 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3tmy h ILE 21 CO -0.40 0.00 -0.22 0.16 0.00 0.00 0.00 178.15 177.69 3tmy h ILE 22 N -0.01 1.25 -0.07 -0.67 3.07 -0.94 -2.85 117.51 117.29 3tmy h ILE 22 Ca 0.16 -1.17 -0.13 0.00 1.55 0.00 0.00 64.86 65.28 3tmy h ILE 22 Cb 0.25 1.31 -0.01 0.00 -0.27 0.00 0.00 36.82 38.10 3tmy h ILE 22 CO -0.35 0.37 -0.52 0.74 -1.05 0.00 0.00 178.15 177.34 3tmy h THR 23 N 0.38 1.36 0.00 0.16 2.02 -1.03 -0.41 112.91 115.40 3tmy h THR 23 Ca 0.06 -1.79 -0.05 0.00 0.77 0.00 0.00 66.41 65.40 3tmy h THR 23 Cb 0.60 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3tmy h THR 23 CO 0.04 0.53 -0.23 0.11 0.37 0.00 0.00 175.52 176.34 3tmy h LYS 24 N 0.16 0.00 -0.47 6.66 1.57 -1.15 -2.80 116.57 120.54 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 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3tmy h LYS 24 CO 0.08 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 3tmy n ALA 25 N -2.32 2.43 -0.02 3.86 0.00 -1.07 -4.93 120.51 118.45 3tmy n ALA 25 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3tmy n ALA 25 Cb 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.27 0.93 3.85 0.00 0.00 -1.06 -5.05 105.19 105.13 3tmy n GLY 26 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.33 3.43 -0.12 1.61 1.51 -0.19 -4.98 117.35 116.28 3tmy s TYR 27 Ca 0.00 1.40 -0.01 0.00 -1.01 0.00 0.00 57.07 57.44 3tmy s TYR 27 Cb 0.00 -2.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.03 3tmy s TYR 27 CO 0.00 -0.68 -0.08 -1.21 -1.11 0.00 0.00 175.55 172.48 3tmy s GLU 28 N -4.62 3.32 -0.61 -0.62 2.02 0.69 -4.05 118.70 114.83 3tmy s GLU 28 Ca 0.58 -0.58 -0.24 0.00 0.02 0.00 0.00 54.97 54.74 3tmy s GLU 28 Cb -0.11 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.43 3tmy s GLU 28 CO 0.44 0.35 1.02 0.08 0.02 0.00 0.00 175.26 177.17 3tmy s VAL 29 N 0.03 4.24 0.25 2.63 1.01 -1.26 0.66 120.40 127.96 3tmy s VAL 29 Ca -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 3tmy s VAL 29 Cb -0.14 -4.65 0.16 0.00 0.00 0.00 0.00 36.38 31.74 3tmy s VAL 29 CO 0.03 -1.34 1.80 0.00 0.00 0.00 0.00 175.10 175.59 3tmy h ALA 30 N 9.51 1.13 0.00 5.51 0.00 -1.53 -3.46 119.26 130.42 3tmy h ALA 30 Ca -0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3tmy h ALA 30 Cb 1.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3tmy h ALA 30 CO 1.15 0.60 0.00 0.41 0.00 0.00 0.00 179.25 181.41 3tmy n GLY 31 N -0.86 -0.26 3.35 0.00 0.00 -1.24 -5.02 105.19 101.16 3tmy n GLY 31 Ca 0.05 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 1.33 0.00 1.61 2.02 -1.26 -1.51 118.70 118.89 3tmy s GLU 32 Ca 0.00 -1.46 -0.07 0.00 0.02 0.00 0.00 54.97 53.46 3tmy s GLU 32 Cb 0.00 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.83 3tmy s GLU 32 CO 0.00 0.28 0.14 0.00 0.02 0.00 0.00 175.26 175.70 3tmy s ALA 33 N -2.10 -0.33 -1.30 5.21 0.00 -0.53 -4.91 121.76 117.80 3tmy s ALA 33 Ca 0.18 -0.11 0.11 0.00 0.00 0.00 0.00 51.96 52.13 3tmy s ALA 33 Cb -0.06 0.10 0.10 0.00 0.00 0.00 0.00 23.12 23.26 3tmy s ALA 33 CO 0.07 -0.20 0.88 0.25 0.00 0.00 0.00 175.76 176.76 3tmy n THR 34 N 1.51 0.09 -3.77 0.00 -2.24 -1.26 -1.65 114.28 106.97 3tmy n THR 34 Ca -0.22 -0.55 -0.06 0.00 -2.27 0.00 0.00 64.05 60.95 3tmy n THR 34 Cb 0.56 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.90 -0.27 0.21 3.42 2.20 -1.26 -3.73 114.94 114.60 3tmy s ASN 35 Ca 0.13 -0.46 -0.10 0.00 -0.94 0.00 0.00 52.86 51.49 3tmy s ASN 35 Cb 0.09 0.63 0.20 0.00 -2.00 0.00 0.00 41.25 40.17 3tmy s ASN 35 CO 0.14 -1.15 1.83 1.23 -2.94 0.00 0.00 177.10 176.21 3tmy h GLY 36 N 2.00 0.98 0.82 0.45 0.00 -0.95 -2.73 103.07 103.65 3tmy h GLY 36 Ca -0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3tmy h GLY 36 CO 0.25 0.23 0.02 -0.09 0.00 0.00 0.00 176.54 176.96 3tmy h ARG 37 N 0.79 0.11 -0.87 4.80 2.43 -1.90 -2.37 114.38 117.37 3tmy h ARG 37 Ca 0.28 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 3tmy h ARG 37 Cb 0.07 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3tmy h ARG 37 CO -0.13 0.27 0.56 1.49 -1.51 0.00 0.00 179.97 180.65 3tmy h GLU 38 N -0.08 1.04 -0.83 0.20 4.81 -1.95 -2.31 114.58 115.46 3tmy h GLU 38 Ca 0.02 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3tmy h GLU 38 Cb 0.21 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3tmy h GLU 38 CO -0.00 0.69 0.55 0.00 -0.73 0.00 0.00 179.01 179.52 3tmy h ALA 39 N 1.37 1.40 -0.26 2.92 0.00 -1.44 -1.12 119.26 122.12 3tmy h ALA 39 Ca 0.35 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3tmy h ALA 39 Cb 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3tmy h ALA 39 CO -0.13 0.56 -0.41 0.28 0.00 0.00 0.00 179.25 179.55 3tmy h VAL 40 N 1.13 1.30 0.09 0.00 2.07 -0.87 -2.23 116.25 117.73 3tmy h VAL 40 Ca 0.30 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3tmy h VAL 40 Cb -0.13 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3tmy h VAL 40 CO -0.07 0.51 -0.04 1.05 0.02 0.00 0.00 177.57 179.04 3tmy h GLU 41 N 0.47 -0.11 -0.12 1.57 4.11 -1.13 -2.18 114.58 117.18 3tmy h GLU 41 Ca 0.02 0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.49 3tmy h GLU 41 Cb 1.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3tmy h GLU 41 CO 0.09 0.08 0.11 0.87 0.07 0.00 0.00 179.01 180.23 3tmy h LYS 42 N -0.29 0.00 -0.32 1.06 1.57 -1.31 0.25 116.57 117.52 3tmy h LYS 42 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3tmy h LYS 42 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3tmy h LYS 42 CO 0.02 0.00 -0.16 -0.92 -0.57 0.00 0.00 179.45 177.82 3tmy h TYR 43 N 0.00 0.64 -0.15 -1.35 3.20 -0.81 0.18 116.97 118.68 3tmy h TYR 43 Ca 0.06 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 3tmy h TYR 43 Cb 0.27 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3tmy h TYR 43 CO 0.00 0.72 -0.31 0.87 -1.64 0.00 0.00 178.16 177.79 3tmy h LYS 44 N 0.53 0.48 0.00 1.82 1.57 -0.01 0.08 116.57 121.03 3tmy h LYS 44 Ca 0.09 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3tmy h LYS 44 Cb 0.59 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3tmy h LYS 44 CO 0.04 0.92 -0.67 1.05 -0.57 0.00 0.00 179.45 180.22 3tmy h GLU 45 N 0.11 0.00 0.00 3.15 4.11 -0.77 -3.36 114.58 117.82 3tmy h GLU 45 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 3tmy h GLU 45 Cb 0.91 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 3tmy h GLU 45 CO 0.07 0.06 -2.29 1.28 0.07 0.00 0.00 179.01 178.20 3tmy n LEU 46 N -2.87 0.58 -3.53 3.06 4.77 0.61 -5.02 117.00 114.60 3tmy n LEU 46 Ca 0.01 0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 3tmy n LEU 46 Cb 0.58 0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.93 3tmy n LEU 46 CO 0.38 0.55 -0.00 1.17 -1.33 0.00 0.00 177.39 178.16 3tmy n LYS 47 N -2.88 -1.40 -2.13 3.23 0.00 0.01 -4.93 118.16 110.06 3tmy n LYS 47 Ca -0.32 0.74 -0.28 0.00 0.00 0.00 0.00 58.31 58.45 3tmy n LYS 47 Cb 1.12 -4.39 0.06 0.00 0.00 0.00 0.00 35.03 31.81 3tmy n LYS 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3tmy s PRO 48 N -5.09 2.50 0.07 1.64 0.04 -1.26 -4.99 135.00 127.90 3tmy s PRO 48 Ca 0.33 0.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.33 3tmy s PRO 48 Cb -0.10 -2.12 -0.29 0.00 0.04 0.00 0.00 34.50 32.02 3tmy s PRO 48 CO 0.83 -1.11 1.12 -0.44 0.04 0.00 0.00 177.00 177.43 3tmy h ASP 49 N -0.58 0.54 -4.90 6.66 3.32 -0.79 -3.47 116.42 117.21 3tmy h ASP 49 Ca -0.45 -0.57 -0.21 0.00 0.02 0.00 0.00 57.03 55.82 3tmy h ASP 49 Cb 1.29 -0.18 -0.20 0.00 0.22 0.00 0.00 39.33 40.46 3tmy h ASP 49 CO 0.62 1.44 -0.71 -0.63 -1.72 0.00 0.00 179.24 178.24 3tmy s ILE 50 N -2.68 0.31 -0.05 0.35 1.01 -0.96 -4.36 121.20 114.82 3tmy s ILE 50 Ca -0.05 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 59.53 3tmy s ILE 50 Cb 0.06 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 3tmy s ILE 50 CO 0.90 -0.53 -0.21 -0.69 0.00 0.00 0.00 174.94 174.42 3tmy s VAL 51 N -1.79 1.71 -0.17 2.92 1.01 -0.33 0.50 120.40 124.25 3tmy s VAL 51 Ca -0.10 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3tmy s VAL 51 Cb -0.07 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3tmy s VAL 51 CO -0.02 0.48 0.03 0.42 0.00 0.00 0.00 175.10 176.02 3tmy s THR 52 N -0.01 4.50 -0.28 3.92 -4.23 -0.02 -1.12 115.64 118.41 3tmy s THR 52 Ca -0.05 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 3tmy s THR 52 Cb -0.13 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.78 3tmy s THR 52 CO 0.03 0.47 0.01 -0.32 -0.54 0.00 0.00 174.62 174.27 3tmy s MET 53 N 0.35 1.38 0.71 3.99 0.00 0.11 -0.69 119.30 125.16 3tmy s MET 53 Ca 0.01 -1.23 -0.16 0.00 0.00 0.00 0.00 55.69 54.31 3tmy s MET 53 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 34.83 32.09 3tmy s MET 53 CO 0.01 -0.77 0.97 -3.47 0.00 0.00 0.00 175.02 171.76 3tmy n ASP 54 N 4.61 0.53 -0.04 1.11 2.03 0.33 -1.26 116.55 123.84 3tmy n ASP 54 Ca -0.06 0.68 -0.03 0.00 0.52 0.00 0.00 54.79 55.91 3tmy n ASP 54 Cb 0.43 -1.41 -0.01 0.00 -0.72 0.00 0.00 41.12 39.41 3tmy n ASP 54 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3tmy n ILE 55 N -2.42 0.79 -2.25 5.18 5.41 -1.04 -3.45 119.36 121.58 3tmy n ILE 55 Ca 0.13 0.34 -0.43 0.00 1.00 0.00 0.00 62.75 63.79 3tmy n ILE 55 Cb 0.49 -1.99 -0.02 0.00 -0.71 0.00 0.00 39.64 37.41 3tmy n ILE 55 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3tmy s THR 56 N -1.73 3.80 0.18 1.39 2.01 -1.26 -0.40 115.64 119.62 3tmy s THR 56 Ca -0.09 0.83 -0.19 0.00 0.31 0.00 0.00 61.69 62.55 3tmy s THR 56 Cb 0.01 -4.02 0.04 0.00 0.01 0.00 0.00 72.50 68.54 3tmy s THR 56 CO 0.14 -0.62 0.53 -0.04 -0.69 0.00 0.00 174.62 173.94 3tmy s MET 57 N 5.04 1.31 0.66 4.92 -1.94 -1.26 -4.79 119.30 123.24 3tmy s MET 57 Ca 0.66 -0.73 -0.07 0.00 -1.71 0.00 0.00 55.69 53.84 3tmy s MET 57 Cb -0.17 0.53 0.04 0.00 2.01 0.00 0.00 34.83 37.24 3tmy s MET 57 CO 0.32 -0.56 0.98 -1.25 -0.01 0.00 0.00 175.02 174.51 3tmy s PRO 58 N -3.83 2.51 0.00 2.03 0.04 -1.26 -3.99 135.00 130.50 3tmy s PRO 58 Ca 0.06 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.99 3tmy s PRO 58 Cb -0.01 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3tmy s PRO 58 CO -0.07 -1.03 0.00 0.39 0.04 0.00 0.00 177.00 176.33 3tmy n GLU 59 N -2.81 0.00 -3.67 4.56 -0.58 -1.26 -4.29 120.64 112.59 3tmy n GLU 59 Ca 0.07 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.72 3tmy n GLU 59 Cb 0.59 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.37 3tmy n GLU 59 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3tmy s MET 60 N 0.00 0.52 0.76 3.49 1.75 -1.26 -4.91 119.30 119.64 3tmy s MET 60 Ca 0.00 0.96 -0.08 0.00 -1.25 0.00 0.00 55.69 55.32 3tmy s MET 60 Cb 0.00 0.05 0.08 0.00 2.84 0.00 0.00 34.83 37.80 3tmy s MET 60 CO 0.00 -0.15 1.08 0.54 -0.65 0.00 0.00 175.02 175.84 3tmy s ASN 61 N 1.48 4.53 0.15 1.11 2.20 -1.26 -0.46 114.94 122.69 3tmy s ASN 61 Ca -0.10 0.45 -0.19 0.00 -0.94 0.00 0.00 52.86 52.09 3tmy s ASN 61 Cb -0.07 -0.99 0.03 0.00 -2.00 0.00 0.00 41.25 38.22 3tmy s ASN 61 CO -0.15 -1.81 1.68 1.23 -2.94 0.00 0.00 177.10 175.11 3tmy h GLY 62 N -0.81 0.16 1.03 0.45 0.00 -0.75 -2.53 103.07 100.62 3tmy h GLY 62 Ca -0.44 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3tmy h GLY 62 CO 0.58 -0.13 0.48 -2.22 0.00 0.00 0.00 176.54 175.25 3tmy h ILE 63 N -0.04 1.26 -0.24 2.60 2.04 -1.84 -0.07 117.51 121.21 3tmy h ILE 63 Ca 0.14 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 3tmy h ILE 63 Cb 0.25 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3tmy h ILE 63 CO -0.31 0.29 -0.19 0.44 0.00 0.00 0.00 178.15 178.38 3tmy h ASP 64 N 1.24 0.41 -0.15 1.72 3.32 -1.93 -1.58 116.42 119.45 3tmy h ASP 64 Ca 0.31 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3tmy h ASP 64 Cb 0.04 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3tmy h ASP 64 CO -0.05 0.62 -0.30 0.00 -1.72 0.00 0.00 179.24 177.79 3tmy h ALA 65 N 1.42 0.24 -0.30 3.45 0.00 -0.95 -2.54 119.26 120.58 3tmy h ALA 65 Ca 0.07 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3tmy h ALA 65 Cb 0.55 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3tmy h ALA 65 CO 0.04 0.26 -0.11 0.82 0.00 0.00 0.00 179.25 180.26 3tmy h ILE 66 N 0.08 0.63 -0.38 0.00 2.04 -0.72 0.70 117.51 119.86 3tmy h ILE 66 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3tmy h ILE 66 Cb 0.90 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3tmy h ILE 66 CO 0.07 0.00 -0.11 0.11 0.00 0.00 0.00 178.15 178.22 3tmy h LYS 67 N -0.05 -0.02 0.35 2.37 1.57 -1.28 0.79 116.57 120.31 3tmy h LYS 67 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3tmy h LYS 67 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3tmy h LYS 67 CO -0.34 -0.01 -0.35 1.49 -0.57 0.00 0.00 179.45 179.67 3tmy h GLU 68 N -0.02 -0.70 -0.65 3.15 4.57 -0.74 -1.69 114.58 118.51 3tmy h GLU 68 Ca 0.18 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3tmy h GLU 68 Cb 0.30 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 3tmy h GLU 68 CO -0.40 -0.47 0.41 0.82 -1.18 0.00 0.00 179.01 178.19 3tmy h ILE 69 N -0.72 1.10 0.00 2.32 2.04 0.79 0.31 117.51 123.34 3tmy h ILE 69 Ca -0.02 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3tmy h ILE 69 Cb 0.65 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3tmy h ILE 69 CO -0.06 0.15 -0.00 0.24 0.00 0.00 0.00 178.15 178.47 3tmy h MET 70 N 0.80 0.00 0.38 2.37 2.86 0.92 0.18 114.93 122.44 3tmy h MET 70 Ca 0.26 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 3tmy h MET 70 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3tmy h MET 70 CO -0.10 0.00 -0.18 0.87 1.06 0.00 0.00 176.91 178.56 3tmy h LYS 71 N 0.00 -0.50 -0.74 1.72 1.57 0.52 -3.00 116.57 116.14 3tmy h LYS 71 Ca -0.00 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.98 3tmy h LYS 71 Cb 0.03 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.33 3tmy h LYS 71 CO 0.00 -0.30 0.05 0.82 -0.57 0.00 0.00 179.45 179.46 3tmy h ILE 72 N -1.12 0.39 -2.55 1.86 2.04 -0.90 -3.37 117.51 113.86 3tmy h ILE 72 Ca -0.05 -0.05 -0.39 0.00 1.00 0.00 0.00 64.86 65.37 3tmy h ILE 72 Cb 0.43 0.24 -0.37 0.00 -0.74 0.00 0.00 36.82 36.38 3tmy h ILE 72 CO 0.09 0.03 -0.68 -0.62 0.00 0.00 0.00 178.15 176.96 3tmy s ASP 73 N -5.20 2.12 0.12 1.72 2.15 0.01 -4.99 116.67 112.61 3tmy s ASP 73 Ca -0.13 -0.68 0.11 0.00 0.43 0.00 0.00 52.55 52.28 3tmy s ASP 73 Cb 0.22 0.15 0.54 0.00 -0.30 0.00 0.00 42.92 43.53 3tmy s ASP 73 CO 0.75 -0.37 1.34 -0.81 -0.17 0.00 0.00 175.17 175.91 3tmy n PRO 74 N 5.29 0.06 -0.32 4.34 -0.04 -1.14 -1.11 135.00 142.09 3tmy n PRO 74 Ca -0.05 0.49 0.07 0.00 -0.04 0.00 0.00 63.50 63.97 3tmy n PRO 74 Cb 0.47 -1.67 0.21 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.79 3.43 -4.77 3.54 3.02 -1.26 -5.00 115.26 112.43 3tmy n ASN 75 Ca 0.00 -2.67 -0.41 0.00 -0.03 0.00 0.00 54.58 51.48 3tmy n ASN 75 Cb 0.06 -0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 38.81 3tmy n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3tmy n ALA 76 N -0.24 2.34 -3.70 5.41 0.00 -0.27 -4.99 120.51 119.06 3tmy n ALA 76 Ca 0.17 0.35 -0.36 0.00 0.00 0.00 0.00 53.44 53.60 3tmy n ALA 76 Cb 0.71 -2.42 -0.12 0.00 0.00 0.00 0.00 19.45 17.62 3tmy n ALA 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3tmy s LYS 77 N -1.91 2.14 -0.14 0.00 1.02 -1.26 -4.96 119.74 114.63 3tmy s LYS 77 Ca 0.55 -1.63 0.01 0.00 0.02 0.00 0.00 55.97 54.91 3tmy s LYS 77 Cb -0.48 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 33.36 3tmy s LYS 77 CO 0.62 -0.92 -0.16 0.42 -0.92 0.00 0.00 175.35 174.39 3tmy s ILE 78 N 1.18 2.67 -0.14 2.17 1.01 -1.26 -1.19 121.20 125.64 3tmy s ILE 78 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3tmy s ILE 78 Cb -0.22 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3tmy s ILE 78 CO -0.03 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.68 3tmy s ILE 79 N 0.66 3.11 -0.01 2.92 1.01 -0.27 0.74 121.20 129.36 3tmy s ILE 79 Ca -0.08 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 3tmy s ILE 79 Cb -0.16 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3tmy s ILE 79 CO 0.02 0.51 0.34 0.54 0.00 0.00 0.00 174.94 176.36 3tmy s VAL 80 N 0.46 5.16 -0.18 2.92 0.11 -0.46 0.05 120.40 128.47 3tmy s VAL 80 Ca -0.09 0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 59.50 3tmy s VAL 80 Cb -0.16 -3.62 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 3tmy s VAL 80 CO 0.04 0.51 -0.03 0.00 -3.33 0.00 0.00 175.10 172.30 3tmy s SER 82 N 0.68 3.69 0.39 0.00 1.04 -0.65 -2.51 113.70 116.34 3tmy s SER 82 Ca -0.02 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.48 3tmy s SER 82 Cb -0.14 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.56 3tmy s SER 82 CO 0.02 0.07 0.64 0.00 0.98 0.00 0.00 173.24 174.95 3tmy s ALA 83 N -2.16 3.56 0.70 5.32 0.00 -1.26 -0.76 121.76 127.16 3tmy s ALA 83 Ca 0.27 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 3tmy s ALA 83 Cb -0.06 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.74 3tmy s ALA 83 CO 0.14 -0.10 1.23 -1.64 0.00 0.00 0.00 175.76 175.39 3tmy s MET 84 N -4.33 2.31 0.00 0.00 -1.94 -1.26 -2.97 119.30 111.12 3tmy s MET 84 Ca 0.44 1.84 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 3tmy s MET 84 Cb -0.10 -1.84 0.00 0.00 2.01 0.00 0.00 34.83 34.90 3tmy s MET 84 CO 0.38 -1.73 0.00 0.41 -0.01 0.00 0.00 175.02 174.08 3tmy n GLY 85 N 0.52 0.74 0.95 -0.03 0.00 -1.26 -4.95 105.19 101.16 3tmy n GLY 85 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.13 1.76 -0.16 1.61 6.02 -1.16 -4.76 117.38 118.56 3tmy n GLN 86 Ca 0.00 -3.22 0.07 0.00 -0.01 0.00 0.00 57.00 53.84 3tmy n GLN 86 Cb 0.00 -1.74 0.37 0.00 1.02 0.00 0.00 30.24 29.89 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 1.00 0.68 0.02 -1.09 4.20 -1.92 -1.20 115.11 116.80 3tmy h GLN 87 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3tmy h GLN 87 Cb 1.42 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3tmy h GLN 87 CO 0.25 0.45 -0.01 0.00 -0.67 0.00 0.00 178.83 178.85 3tmy h ALA 88 N 1.63 -0.03 -0.36 3.87 0.00 -2.01 -2.10 119.26 120.26 3tmy h ALA 88 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3tmy h ALA 88 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3tmy h ALA 88 CO -0.09 -0.47 0.11 0.52 0.00 0.00 0.00 179.25 179.32 3tmy h MET 89 N -0.13 0.52 -0.58 0.00 2.86 -1.74 -1.88 114.93 113.98 3tmy h MET 89 Ca -0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3tmy h MET 89 Cb 0.12 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3tmy h MET 89 CO 0.00 0.46 0.30 0.28 1.06 0.00 0.00 176.91 179.01 3tmy h VAL 90 N 0.51 1.20 -0.84 -2.22 2.07 -0.84 -0.14 116.25 116.00 3tmy h VAL 90 Ca 0.12 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3tmy h VAL 90 Cb 0.16 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3tmy h VAL 90 CO -0.01 0.22 0.48 0.40 0.02 0.00 0.00 177.57 178.69 3tmy h ILE 91 N 0.78 1.24 -0.81 4.57 2.04 -0.69 -0.50 117.51 124.15 3tmy h ILE 91 Ca 0.20 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.58 3tmy h ILE 91 Cb 0.08 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.19 3tmy h ILE 91 CO -0.03 0.26 0.47 -0.33 0.00 0.00 0.00 178.15 178.52 3tmy h GLU 92 N 1.16 0.79 -0.32 2.37 3.07 -0.97 0.12 114.58 120.79 3tmy h GLU 92 Ca 0.30 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 3tmy h GLU 92 Cb -0.01 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3tmy h GLU 92 CO -0.05 0.52 -0.20 0.00 -1.40 0.00 0.00 179.01 177.88 3tmy h ALA 93 N 1.43 0.45 -0.47 3.43 0.00 -0.46 -1.68 119.26 121.96 3tmy h ALA 93 Ca 0.38 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3tmy h ALA 93 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3tmy h ALA 93 CO -0.22 0.40 0.09 0.82 0.00 0.00 0.00 179.25 180.34 3tmy h ILE 94 N 0.46 1.21 -0.70 0.00 2.04 -0.48 -1.18 117.51 118.86 3tmy h ILE 94 Ca 0.06 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 3tmy h ILE 94 Cb 0.75 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3tmy h ILE 94 CO 0.06 0.29 0.35 0.11 0.00 0.00 0.00 178.15 178.95 3tmy h LYS 95 N 0.70 0.99 0.00 2.37 1.57 -0.69 -2.16 116.57 119.34 3tmy h LYS 95 Ca 0.15 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3tmy h LYS 95 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3tmy h LYS 95 CO 0.00 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 3tmy n ALA 96 N -2.36 1.46 0.00 3.86 0.00 -0.56 -4.87 120.51 118.04 3tmy n ALA 96 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3tmy n ALA 96 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3tmy n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3tmy n GLY 97 N -0.41 1.23 3.63 0.00 0.00 -0.62 -4.58 105.19 104.45 3tmy n GLY 97 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3tmy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tmy n ALA 98 N 0.00 -0.38 0.04 4.61 0.00 -0.56 -4.68 120.51 119.55 3tmy n ALA 98 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.22 3tmy n ALA 98 Cb 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.21 3tmy n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3tmy n LYS 99 N -2.58 0.63 0.00 0.00 4.76 0.23 -4.53 118.16 116.67 3tmy n LYS 99 Ca 0.13 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 3tmy n LYS 99 Cb 0.50 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 3tmy n LYS 99 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3tmy n ASP 100 N -2.54 0.00 -4.19 4.39 2.03 -1.24 -5.05 116.55 109.95 3tmy n ASP 100 Ca -0.04 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 3tmy n ASP 100 Cb 0.62 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 3tmy n ASP 100 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3tmy s PHE 101 N -2.00 0.98 0.04 -0.67 -0.71 -1.26 -1.35 117.98 113.01 3tmy s PHE 101 Ca 0.00 -1.00 0.03 0.00 -1.04 0.00 0.00 56.93 54.92 3tmy s PHE 101 Cb 0.00 -0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 41.22 3tmy s PHE 101 CO 0.00 -0.23 -0.09 0.96 -1.34 0.00 0.00 175.22 174.52 3tmy s ILE 102 N -3.70 0.67 0.09 -4.49 -4.36 -0.23 -4.91 121.20 104.26 3tmy s ILE 102 Ca 0.17 -1.07 0.05 0.00 -0.26 0.00 0.00 60.65 59.54 3tmy s ILE 102 Cb 0.06 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 43.03 3tmy s ILE 102 CO -0.01 -0.30 0.00 -0.69 0.24 0.00 0.00 174.94 174.18 3tmy s VAL 103 N -1.26 4.03 0.07 8.37 1.01 -1.26 -1.63 120.40 129.72 3tmy s VAL 103 Ca -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 3tmy s VAL 103 Cb -0.09 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3tmy s VAL 103 CO 0.01 0.13 0.29 -0.54 0.00 0.00 0.00 175.10 174.99 3tmy s LYS 104 N -2.27 3.55 0.44 2.72 1.02 0.06 -3.61 119.74 121.65 3tmy s LYS 104 Ca 0.25 -0.18 -0.23 0.00 0.02 0.00 0.00 55.97 55.83 3tmy s LYS 104 Cb -0.12 -2.99 -0.08 0.00 -0.52 0.00 0.00 37.83 34.12 3tmy s LYS 104 CO 0.18 0.58 1.13 -1.25 -0.92 0.00 0.00 175.35 175.07 3tmy s PRO 105 N -2.26 3.89 0.44 -1.68 0.05 -1.26 -4.12 135.00 130.06 3tmy s PRO 105 Ca 0.34 1.69 -0.25 0.00 0.05 0.00 0.00 61.00 62.83 3tmy s PRO 105 Cb -0.13 -2.45 -0.08 0.00 0.05 0.00 0.00 34.50 31.89 3tmy s PRO 105 CO 0.22 -0.42 1.42 -0.06 0.05 0.00 0.00 177.00 178.21 3tmy s PHE 106 N -1.58 2.49 -0.56 0.56 0.08 -1.24 -4.99 117.98 112.75 3tmy s PHE 106 Ca 0.62 1.27 -0.06 0.00 0.12 0.00 0.00 56.93 58.88 3tmy s PHE 106 Cb -0.27 -3.90 0.15 0.00 -0.57 0.00 0.00 43.02 38.43 3tmy s PHE 106 CO 0.33 -2.86 0.40 -0.65 -0.10 0.00 0.00 175.22 172.33 3tmy s GLN 107 N -2.42 2.54 0.24 0.44 -0.21 -1.26 -5.02 119.66 113.97 3tmy s GLN 107 Ca 0.60 -2.16 -0.13 0.00 0.02 0.00 0.00 55.36 53.69 3tmy s GLN 107 Cb -0.43 -3.83 0.31 0.00 1.00 0.00 0.00 33.01 30.06 3tmy s GLN 107 CO 0.56 -1.17 1.57 -1.35 -2.12 0.00 0.00 175.29 172.78 3tmy h PRO 108 N 7.73 -0.02 -0.59 2.91 0.11 -1.98 0.10 132.00 140.26 3tmy h PRO 108 Ca -0.08 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.09 3tmy h PRO 108 Cb 1.02 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 3tmy h PRO 108 CO 0.76 -0.02 0.30 0.66 -0.21 0.00 0.00 178.00 179.50 3tmy h SER 109 N -0.02 0.44 -0.57 -2.05 4.64 -1.99 0.80 113.55 114.80 3tmy h SER 109 Ca 0.38 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3tmy h SER 109 Cb 0.63 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3tmy h SER 109 CO -0.91 0.29 0.35 0.03 -0.87 0.00 0.00 176.83 175.72 3tmy h ARG 110 N 0.58 0.79 -0.13 4.77 2.47 -1.57 0.16 114.38 121.45 3tmy h ARG 110 Ca 0.26 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 3tmy h ARG 110 Cb 0.17 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3tmy h ARG 110 CO -0.18 0.56 -0.02 0.28 0.56 0.00 0.00 179.97 181.17 3tmy h VAL 111 N 0.81 1.27 -0.25 2.04 2.07 0.10 0.74 116.25 123.03 3tmy h VAL 111 Ca 0.21 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 3tmy h VAL 111 Cb -0.03 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3tmy h VAL 111 CO -0.04 0.26 -0.30 1.62 0.02 0.00 0.00 177.57 179.13 3tmy h VAL 112 N -0.06 1.28 -0.01 2.57 3.04 -0.60 0.23 116.25 122.70 3tmy h VAL 112 Ca 0.03 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 3tmy h VAL 112 Cb 0.41 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 3tmy h VAL 112 CO 0.01 0.44 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.66 3tmy h GLU 113 N 0.44 -0.02 -0.62 4.17 5.08 -0.89 0.35 114.58 123.09 3tmy h GLU 113 Ca 0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3tmy h GLU 113 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3tmy h GLU 113 CO 0.06 -0.01 0.06 0.00 -1.00 0.00 0.00 179.01 178.12 3tmy h ALA 114 N 1.00 0.83 -0.20 3.43 0.00 0.41 -1.47 119.26 123.25 3tmy h ALA 114 Ca 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3tmy h ALA 114 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3tmy h ALA 114 CO -0.02 0.62 0.12 -0.07 0.00 0.00 0.00 179.25 179.89 3tmy h LEU 115 N 0.96 0.19 -0.32 0.00 4.07 -0.32 -2.73 115.31 117.15 3tmy h LEU 115 Ca 0.18 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.19 3tmy h LEU 115 Cb 0.49 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 3tmy h LEU 115 CO 0.02 0.14 0.09 0.78 -1.08 0.00 0.00 178.44 178.39 3tmy h ASN 116 N 0.24 0.06 0.37 -0.43 -0.26 0.09 -3.00 115.58 112.65 3tmy h ASN 116 Ca 0.08 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 3tmy h ASN 116 Cb -0.00 0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 3tmy h ASN 116 CO -0.04 0.07 -0.52 0.50 -1.06 0.00 0.00 177.43 176.38 3tmy h LYS 117 N 0.21 -0.90 -0.22 0.81 3.64 -1.22 -2.84 116.57 116.05 3tmy h LYS 117 Ca 0.15 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3tmy h LYS 117 Cb 0.15 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3tmy h LYS 117 CO -0.18 -0.60 0.41 0.28 -2.27 0.00 0.00 179.45 177.10 3tmy h VAL 118 N -0.93 0.19 -0.00 2.00 2.07 -1.44 -3.52 116.25 114.62 3tmy h VAL 118 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3tmy h VAL 118 Cb 0.84 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3tmy h VAL 118 CO -0.14 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.25