#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4tmy n LYS 3 N 0.00 0.00 -3.27 1.61 5.02 -1.26 -4.99 118.16 115.26 4tmy n LYS 3 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 4tmy n LYS 3 Cb 0.00 -0.05 -0.08 0.00 -0.02 0.00 0.00 35.03 34.88 4tmy n LYS 3 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 4tmy s ARG 4 N 0.00 3.75 -0.13 1.97 0.52 -1.26 0.85 118.95 124.65 4tmy s ARG 4 Ca 0.00 -0.07 -0.05 0.00 -0.52 0.00 0.00 55.73 55.08 4tmy s ARG 4 Cb 0.00 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.67 4tmy s ARG 4 CO 0.00 -0.53 0.07 0.08 0.02 0.00 0.00 175.30 174.93 4tmy s VAL 5 N 2.30 4.87 -0.29 3.52 1.01 0.35 0.12 120.40 132.27 4tmy s VAL 5 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 4tmy s VAL 5 Cb -0.16 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 4tmy s VAL 5 CO 0.12 0.56 0.17 -0.22 0.00 0.00 0.00 175.10 175.73 4tmy s LEU 6 N -0.50 4.04 -0.28 3.92 2.96 -0.56 -1.30 118.68 126.96 4tmy s LEU 6 Ca 0.10 -0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 53.66 4tmy s LEU 6 Cb -0.12 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 4tmy s LEU 6 CO 0.02 -0.11 0.27 -0.63 -1.32 0.00 0.00 176.35 174.58 4tmy s ILE 7 N 1.70 5.25 -0.20 6.68 1.01 -1.02 -1.62 121.20 133.00 4tmy s ILE 7 Ca 0.06 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 4tmy s ILE 7 Cb -0.16 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.70 4tmy s ILE 7 CO 0.09 0.19 -0.11 -0.69 0.00 0.00 0.00 174.94 174.42 4tmy s VAL 8 N 1.89 2.79 -0.29 2.92 1.01 -0.86 0.34 120.40 128.20 4tmy s VAL 8 Ca 0.10 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 4tmy s VAL 8 Cb -0.16 -2.24 0.16 0.00 0.00 0.00 0.00 36.38 34.14 4tmy s VAL 8 CO 0.11 0.47 1.04 -0.62 0.00 0.00 0.00 175.10 176.10 4tmy s ASP 9 N 1.39 -0.41 0.02 3.32 -1.08 -0.96 -1.58 116.67 117.37 4tmy s ASP 9 Ca 0.05 0.66 0.19 0.00 -0.52 0.00 0.00 52.55 52.94 4tmy s ASP 9 Cb -0.14 1.14 0.79 0.00 -1.46 0.00 0.00 42.92 43.25 4tmy s ASP 9 CO -0.08 -0.11 1.59 -0.90 0.52 0.00 0.00 175.17 176.20 4tmy n ASP 10 N 3.50 0.06 -4.27 -0.34 5.75 -1.26 -4.53 116.55 115.45 4tmy n ASP 10 Ca -0.18 0.51 -0.44 0.00 -0.01 0.00 0.00 54.79 54.67 4tmy n ASP 10 Cb 0.57 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 4tmy n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4tmy s ALA 11 N -3.02 3.57 0.23 2.12 0.00 -1.26 -4.97 121.76 118.42 4tmy s ALA 11 Ca 0.09 -2.57 -0.18 0.00 0.00 0.00 0.00 51.96 49.30 4tmy s ALA 11 Cb 0.12 -3.11 0.23 0.00 0.00 0.00 0.00 23.12 20.36 4tmy s ALA 11 CO 0.34 -1.99 1.55 0.00 0.00 0.00 0.00 175.76 175.67 4tmy h ALA 12 N 8.68 0.13 -0.78 0.00 0.00 -2.00 0.83 119.26 126.12 4tmy h ALA 12 Ca -0.25 0.27 0.13 0.00 0.00 0.00 0.00 54.91 55.05 4tmy h ALA 12 Cb 1.09 1.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.75 4tmy h ALA 12 CO 0.96 -0.64 -0.36 0.35 0.00 0.00 0.00 179.25 179.57 4tmy h PHE 13 N -0.01 -1.00 -0.56 0.00 3.57 -1.96 0.33 116.94 117.31 4tmy h PHE 13 Ca 0.34 0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.96 4tmy h PHE 13 Cb 0.59 0.55 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 4tmy h PHE 13 CO -0.87 -0.39 0.37 1.98 -2.23 0.00 0.00 178.31 177.17 4tmy h MET 14 N -0.09 0.61 0.07 1.11 4.05 0.26 -1.10 114.93 119.85 4tmy h MET 14 Ca 0.29 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 4tmy h MET 14 Cb 0.57 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 4tmy h MET 14 CO -0.82 0.40 -0.04 0.00 0.23 0.00 0.00 176.91 176.68 4tmy h ARG 15 N 0.63 -0.09 -0.33 0.39 3.08 -0.23 -2.22 114.38 115.61 4tmy h ARG 15 Ca 0.23 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.34 4tmy h ARG 15 Cb 0.12 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 4tmy h ARG 15 CO -0.06 0.36 -0.49 0.52 -1.07 0.00 0.00 179.97 179.23 4tmy h MET 16 N -0.59 -0.40 -0.38 0.04 2.86 0.10 0.82 114.93 117.38 4tmy h MET 16 Ca -0.01 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 4tmy h MET 16 Cb 0.50 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.16 4tmy h MET 16 CO 0.02 -0.27 -0.32 0.52 1.06 0.00 0.00 176.91 177.92 4tmy h MET 17 N -0.42 -0.25 -0.38 1.72 2.86 -1.28 -1.07 114.93 116.11 4tmy h MET 17 Ca 0.09 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 4tmy h MET 17 Cb 0.61 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 4tmy h MET 17 CO -0.54 -0.17 0.22 1.25 1.06 0.00 0.00 176.91 178.73 4tmy h LEU 18 N -0.26 0.47 -0.96 1.22 5.85 -0.50 -2.51 115.31 118.62 4tmy h LEU 18 Ca 0.17 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.97 4tmy h LEU 18 Cb 0.53 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 4tmy h LEU 18 CO -0.52 0.40 0.57 0.50 -0.34 0.00 0.00 178.44 179.05 4tmy h LYS 19 N 0.49 0.77 0.00 1.25 3.64 0.11 -0.71 116.57 122.12 4tmy h LYS 19 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 4tmy h LYS 19 Cb 0.03 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 4tmy h LYS 19 CO -0.02 0.51 -0.16 0.22 -2.27 0.00 0.00 179.45 177.72 4tmy h ASP 20 N 0.79 0.00 0.06 4.20 3.58 -0.79 -2.01 116.42 122.26 4tmy h ASP 20 Ca 0.52 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.72 4tmy h ASP 20 Cb 0.71 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 4tmy h ASP 20 CO -0.34 0.16 -1.36 0.40 -2.88 0.00 0.00 179.24 175.22 4tmy h ILE 21 N 0.00 0.96 -0.08 2.25 2.04 -0.85 -3.21 117.51 118.62 4tmy h ILE 21 Ca -0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 4tmy h ILE 21 Cb 0.62 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 4tmy h ILE 21 CO 0.02 0.57 0.05 0.16 0.00 0.00 0.00 178.15 178.96 4tmy h ILE 22 N -0.57 1.02 -0.05 -0.67 3.07 -1.27 -2.10 117.51 116.94 4tmy h ILE 22 Ca -0.32 -0.04 0.04 0.00 1.55 0.00 0.00 64.86 66.09 4tmy h ILE 22 Cb 1.57 0.90 -0.05 0.00 -0.27 0.00 0.00 36.82 38.97 4tmy h ILE 22 CO -0.05 0.02 -0.29 0.74 -1.05 0.00 0.00 178.15 177.52 4tmy h THR 23 N 0.11 0.35 -0.03 0.16 2.02 -1.51 -0.45 112.91 113.56 4tmy h THR 23 Ca 0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.22 4tmy h THR 23 Cb -0.01 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 4tmy h THR 23 CO -0.01 0.00 0.03 0.11 0.37 0.00 0.00 175.52 176.03 4tmy h LYS 24 N -0.41 0.00 0.00 6.66 1.57 -1.54 0.98 116.57 123.83 4tmy h LYS 24 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 4tmy h LYS 24 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 4tmy h LYS 24 CO -0.28 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.56 4tmy h ALA 25 N 1.97 0.98 0.00 3.86 0.00 -0.48 -3.47 119.26 122.12 4tmy h ALA 25 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 4tmy h ALA 25 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 4tmy h ALA 25 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 4tmy n GLY 26 N 1.19 0.94 3.93 0.00 0.00 0.34 -5.09 105.19 106.50 4tmy n GLY 26 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 4tmy n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4tmy s TYR 27 N -2.00 2.92 -0.14 1.61 1.51 -0.31 -4.96 117.35 115.98 4tmy s TYR 27 Ca 0.00 0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 56.51 4tmy s TYR 27 Cb 0.00 -3.21 -0.02 0.00 -0.11 0.00 0.00 41.96 38.61 4tmy s TYR 27 CO 0.00 -1.43 -0.07 -1.21 -1.11 0.00 0.00 175.55 171.73 4tmy s GLU 28 N -5.27 3.50 -1.15 -0.62 2.02 0.25 -4.08 118.70 113.34 4tmy s GLU 28 Ca 0.60 -0.57 -0.16 0.00 0.02 0.00 0.00 54.97 54.85 4tmy s GLU 28 Cb -0.11 -2.79 0.13 0.00 0.10 0.00 0.00 34.13 31.46 4tmy s GLU 28 CO 0.45 0.28 1.44 0.08 0.02 0.00 0.00 175.26 177.52 4tmy s VAL 29 N 0.24 4.68 0.28 2.63 1.01 -1.26 0.13 120.40 128.11 4tmy s VAL 29 Ca -0.05 -2.10 0.02 0.00 0.00 0.00 0.00 61.98 59.85 4tmy s VAL 29 Cb -0.14 -4.96 0.27 0.00 0.00 0.00 0.00 36.38 31.55 4tmy s VAL 29 CO 0.04 -1.71 1.72 0.00 0.00 0.00 0.00 175.10 175.14 4tmy h ALA 30 N 7.82 1.39 -1.84 5.51 0.00 -1.49 -3.47 119.26 127.18 4tmy h ALA 30 Ca 0.30 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.39 4tmy h ALA 30 Cb 0.92 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 4tmy h ALA 30 CO 1.28 -0.25 0.16 0.41 0.00 0.00 0.00 179.25 180.85 4tmy n GLY 31 N -1.33 1.11 2.96 0.00 0.00 -1.10 -5.01 105.19 101.81 4tmy n GLY 31 Ca 0.21 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 4tmy n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4tmy s GLU 32 N -2.01 0.12 0.14 1.61 2.02 -1.26 -2.42 118.70 116.89 4tmy s GLU 32 Ca 0.06 0.34 0.11 0.00 0.02 0.00 0.00 54.97 55.50 4tmy s GLU 32 Cb -0.01 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.07 4tmy s GLU 32 CO 0.02 -0.13 -0.25 0.00 0.02 0.00 0.00 175.26 174.91 4tmy s ALA 33 N 0.91 2.31 -0.59 5.21 0.00 0.15 -4.95 121.76 124.81 4tmy s ALA 33 Ca -0.07 -1.46 0.12 0.00 0.00 0.00 0.00 51.96 50.55 4tmy s ALA 33 Cb -0.09 -0.35 0.35 0.00 0.00 0.00 0.00 23.12 23.04 4tmy s ALA 33 CO -0.05 0.49 1.28 0.25 0.00 0.00 0.00 175.76 177.74 4tmy n THR 34 N 0.82 1.45 0.00 0.00 -2.24 -1.26 -2.27 114.28 110.77 4tmy n THR 34 Ca -0.17 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 4tmy n THR 34 Cb 0.54 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 4tmy n THR 34 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 4tmy n ASN 35 N 0.04 0.00 -0.07 3.42 0.23 -1.26 -4.30 115.26 113.31 4tmy n ASN 35 Ca 0.14 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.12 4tmy n ASN 35 Cb 0.57 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.26 4tmy n ASN 35 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 4tmy h GLY 36 N 0.00 0.19 0.95 4.83 0.00 -0.85 -0.87 103.07 107.32 4tmy h GLY 36 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 4tmy h GLY 36 CO 0.00 -0.12 0.13 -0.09 0.00 0.00 0.00 176.54 176.46 4tmy h ARG 37 N -0.02 0.68 -0.68 4.80 2.43 -1.89 -2.00 114.38 117.71 4tmy h ARG 37 Ca 0.14 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 4tmy h ARG 37 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 4tmy h ARG 37 CO -0.30 0.67 0.26 1.49 -1.51 0.00 0.00 179.97 180.57 4tmy h GLU 38 N 0.57 1.00 -0.30 0.20 4.81 -1.92 -0.98 114.58 117.96 4tmy h GLU 38 Ca 0.14 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 4tmy h GLU 38 Cb 0.28 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 4tmy h GLU 38 CO -0.00 0.83 0.09 0.00 -0.73 0.00 0.00 179.01 179.19 4tmy h ALA 39 N 1.30 1.60 0.03 2.92 0.00 -0.84 0.19 119.26 124.46 4tmy h ALA 39 Ca 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 4tmy h ALA 39 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 4tmy h ALA 39 CO -0.02 0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.81 4tmy h VAL 40 N 0.42 1.37 -0.00 0.00 2.07 -0.58 -0.89 116.25 118.63 4tmy h VAL 40 Ca 0.10 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.95 4tmy h VAL 40 Cb 0.14 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 4tmy h VAL 40 CO -0.01 0.41 -0.30 -0.33 0.02 0.00 0.00 177.57 177.36 4tmy h GLU 41 N -0.85 -0.43 -0.90 1.57 5.08 -1.14 -1.57 114.58 116.35 4tmy h GLU 41 Ca -0.00 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 4tmy h GLU 41 Cb 0.70 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 4tmy h GLU 41 CO 0.01 -0.29 0.59 0.87 -1.00 0.00 0.00 179.01 179.19 4tmy h LYS 42 N -0.45 1.15 -0.40 2.33 1.79 -1.07 -1.22 116.57 118.70 4tmy h LYS 42 Ca 0.06 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 4tmy h LYS 42 Cb 0.54 -0.26 -0.06 0.00 -1.58 0.00 0.00 32.23 30.87 4tmy h LYS 42 CO -0.26 0.76 0.03 -0.92 -1.08 0.00 0.00 179.45 177.99 4tmy h TYR 43 N 1.18 0.04 0.74 -1.35 5.03 -0.47 0.14 116.97 122.28 4tmy h TYR 43 Ca 0.34 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.64 4tmy h TYR 43 Cb -0.09 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 4tmy h TYR 43 CO -0.00 -0.04 -0.50 0.87 -1.32 0.00 0.00 178.16 177.17 4tmy h LYS 44 N 0.15 -1.13 -0.64 1.82 1.57 -0.78 -0.48 116.57 117.08 4tmy h LYS 44 Ca 0.20 0.08 0.13 0.00 -1.87 0.00 0.00 60.65 59.18 4tmy h LYS 44 Cb 0.27 0.26 -0.12 0.00 0.08 0.00 0.00 32.23 32.71 4tmy h LYS 44 CO -0.30 -0.75 -0.19 1.49 -0.57 0.00 0.00 179.45 179.13 4tmy h GLU 45 N -1.17 -0.03 0.00 3.15 4.81 -0.78 -3.19 114.58 117.38 4tmy h GLU 45 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 4tmy h GLU 45 Cb 0.95 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.34 4tmy h GLU 45 CO 0.07 -0.02 -1.40 1.28 -0.73 0.00 0.00 179.01 178.21 4tmy n LEU 46 N -5.44 0.47 -3.99 1.64 4.77 0.45 -5.02 117.00 109.87 4tmy n LEU 46 Ca 0.07 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 4tmy n LEU 46 Cb 0.34 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 4tmy n LEU 46 CO 0.03 0.12 -0.14 0.29 -1.33 0.00 0.00 177.39 176.35 4tmy n LYS 47 N -1.81 -0.46 -0.71 3.23 5.02 -0.19 -4.88 118.16 118.36 4tmy n LYS 47 Ca 0.00 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.17 4tmy n LYS 47 Cb 0.41 -2.86 0.23 0.00 -0.02 0.00 0.00 35.03 32.79 4tmy n LYS 47 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 4tmy s PRO 48 N -7.10 -0.61 -0.12 1.97 0.04 -1.26 -4.98 135.00 122.94 4tmy s PRO 48 Ca 0.49 0.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 4tmy s PRO 48 Cb -0.25 -1.60 -0.26 0.00 0.04 0.00 0.00 34.50 32.44 4tmy s PRO 48 CO 0.95 -3.49 0.48 -0.44 0.04 0.00 0.00 177.00 174.53 4tmy h ASP 49 N -2.45 0.34 -3.44 6.66 3.32 0.54 -3.48 116.42 117.90 4tmy h ASP 49 Ca -0.60 -0.83 -0.42 0.00 0.02 0.00 0.00 57.03 55.20 4tmy h ASP 49 Cb 1.33 -0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 4tmy h ASP 49 CO 0.52 1.64 -0.70 -0.63 -1.72 0.00 0.00 179.24 178.35 4tmy s ILE 50 N -2.48 1.47 -0.05 0.35 1.01 -0.96 -4.21 121.20 116.32 4tmy s ILE 50 Ca -0.21 -2.13 0.01 0.00 0.00 0.00 0.00 60.65 58.32 4tmy s ILE 50 Cb 0.05 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.41 4tmy s ILE 50 CO 0.74 -0.53 -0.07 -0.69 0.00 0.00 0.00 174.94 174.40 4tmy s VAL 51 N -3.14 0.69 -0.29 2.92 1.01 0.11 -1.50 120.40 120.21 4tmy s VAL 51 Ca 0.23 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 4tmy s VAL 51 Cb 0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 4tmy s VAL 51 CO 0.07 0.26 0.14 0.42 0.00 0.00 0.00 175.10 175.99 4tmy s THR 52 N 0.82 4.75 -0.22 3.92 -4.23 -0.64 0.07 115.64 120.10 4tmy s THR 52 Ca -0.12 -0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 60.21 4tmy s THR 52 Cb -0.15 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.40 4tmy s THR 52 CO 0.01 0.19 -0.12 -0.32 -0.54 0.00 0.00 174.62 173.85 4tmy s MET 53 N 1.66 2.90 0.56 3.99 0.00 0.53 -2.03 119.30 126.90 4tmy s MET 53 Ca 0.06 -0.92 -0.19 0.00 0.00 0.00 0.00 55.69 54.64 4tmy s MET 53 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 34.83 31.80 4tmy s MET 53 CO 0.07 -0.32 1.17 0.34 0.00 0.00 0.00 175.02 176.28 4tmy s ASP 54 N 1.31 5.48 -0.09 1.11 2.15 -0.61 -0.29 116.67 125.73 4tmy s ASP 54 Ca 0.02 2.28 -0.06 0.00 0.43 0.00 0.00 52.55 55.23 4tmy s ASP 54 Cb -0.15 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.86 4tmy s ASP 54 CO -0.08 -1.39 -0.11 0.40 -0.17 0.00 0.00 175.17 173.83 4tmy h ILE 55 N 1.08 0.00 -3.11 4.11 2.04 -1.90 -3.31 117.51 116.41 4tmy h ILE 55 Ca -0.50 -0.65 -0.55 0.00 1.00 0.00 0.00 64.86 64.15 4tmy h ILE 55 Cb 1.28 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 4tmy h ILE 55 CO 0.56 0.00 1.04 -0.89 0.00 0.00 0.00 178.15 178.86 4tmy s THR 56 N -1.79 3.92 0.05 -0.27 2.01 -1.26 -1.69 115.64 116.61 4tmy s THR 56 Ca -0.09 0.84 -0.06 0.00 0.31 0.00 0.00 61.69 62.69 4tmy s THR 56 Cb 0.01 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.02 4tmy s THR 56 CO 0.14 -1.12 0.11 -0.04 -0.69 0.00 0.00 174.62 173.02 4tmy s MET 57 N 5.14 0.66 0.96 4.92 -1.94 -1.26 -4.77 119.30 123.00 4tmy s MET 57 Ca 0.51 -0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 53.52 4tmy s MET 57 Cb -0.10 0.26 0.16 0.00 2.01 0.00 0.00 34.83 37.16 4tmy s MET 57 CO 0.27 -0.18 1.13 -2.14 -0.01 0.00 0.00 175.02 174.10 4tmy s PRO 58 N -3.04 0.78 0.00 2.03 0.02 -1.26 -3.97 135.00 129.55 4tmy s PRO 58 Ca -0.01 0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.31 4tmy s PRO 58 Cb 0.01 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.74 4tmy s PRO 58 CO -0.07 -2.45 0.00 0.39 -0.33 0.00 0.00 177.00 174.55 4tmy n GLU 59 N -3.94 0.00 -3.74 5.54 1.02 -1.26 -4.25 120.64 114.01 4tmy n GLU 59 Ca 0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.05 4tmy n GLU 59 Cb 0.59 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.85 4tmy n GLU 59 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 4tmy s MET 60 N 0.00 -0.02 0.80 3.49 -2.45 -1.26 -5.00 119.30 114.86 4tmy s MET 60 Ca 0.00 0.28 -0.10 0.00 -1.25 0.00 0.00 55.69 54.61 4tmy s MET 60 Cb 0.00 -0.28 0.10 0.00 1.25 0.00 0.00 34.83 35.91 4tmy s MET 60 CO 0.00 -0.20 1.15 0.54 1.05 0.00 0.00 175.02 177.56 4tmy s ASN 61 N 1.33 4.28 0.20 1.11 2.20 -1.25 -0.32 114.94 122.48 4tmy s ASN 61 Ca -0.06 0.50 -0.11 0.00 -0.94 0.00 0.00 52.86 52.24 4tmy s ASN 61 Cb -0.13 -0.93 0.12 0.00 -2.00 0.00 0.00 41.25 38.32 4tmy s ASN 61 CO -0.04 -1.99 1.82 1.23 -2.94 0.00 0.00 177.10 175.18 4tmy h GLY 62 N -1.01 1.02 0.95 0.45 0.00 -1.42 -1.51 103.07 101.56 4tmy h GLY 62 Ca -0.45 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.45 4tmy h GLY 62 CO 0.56 0.43 0.30 -2.22 0.00 0.00 0.00 176.54 175.62 4tmy h ILE 63 N 0.95 1.09 0.24 2.60 1.08 -1.86 0.66 117.51 122.26 4tmy h ILE 63 Ca 0.25 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 4tmy h ILE 63 Cb 0.01 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 4tmy h ILE 63 CO -0.04 0.11 -0.12 0.44 -0.69 0.00 0.00 178.15 177.85 4tmy h ASP 64 N 0.61 -0.27 -0.88 1.72 3.32 -1.91 -1.90 116.42 117.10 4tmy h ASP 64 Ca 0.18 -0.11 0.22 0.00 0.02 0.00 0.00 57.03 57.34 4tmy h ASP 64 Cb -0.03 0.07 -0.13 0.00 0.22 0.00 0.00 39.33 39.46 4tmy h ASP 64 CO -0.06 -0.05 0.35 0.00 -1.72 0.00 0.00 179.24 177.76 4tmy h ALA 65 N 0.23 1.38 -0.48 3.45 0.00 -1.00 0.20 119.26 123.04 4tmy h ALA 65 Ca -0.03 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.08 4tmy h ALA 65 Cb 0.37 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 4tmy h ALA 65 CO 0.05 -0.38 0.28 0.82 0.00 0.00 0.00 179.25 180.02 4tmy h ILE 66 N 0.35 1.03 -0.15 0.00 2.04 0.66 0.12 117.51 121.56 4tmy h ILE 66 Ca 0.55 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 66.20 4tmy h ILE 66 Cb 1.07 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 4tmy h ILE 66 CO -0.56 0.10 -0.02 0.11 0.00 0.00 0.00 178.15 177.79 4tmy h LYS 67 N 0.55 0.27 0.35 2.37 1.57 0.07 -1.97 116.57 119.79 4tmy h LYS 67 Ca 0.20 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 4tmy h LYS 67 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 4tmy h LYS 67 CO -0.10 0.53 -0.39 0.93 -0.57 0.00 0.00 179.45 179.85 4tmy h GLU 68 N -0.01 -0.74 -0.94 3.15 4.39 -0.61 -0.78 114.58 119.04 4tmy h GLU 68 Ca 0.04 0.05 0.18 0.00 0.34 0.00 0.00 59.36 59.97 4tmy h GLU 68 Cb 0.41 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 4tmy h GLU 68 CO 0.01 -0.49 0.60 0.82 -1.16 0.00 0.00 179.01 178.79 4tmy h ILE 69 N -0.77 0.74 -0.46 3.13 2.04 -0.75 0.26 117.51 121.69 4tmy h ILE 69 Ca -0.02 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 4tmy h ILE 69 Cb 0.70 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 4tmy h ILE 69 CO -0.09 0.12 -0.01 0.24 0.00 0.00 0.00 178.15 178.41 4tmy h MET 70 N 0.63 0.77 -0.79 2.37 2.86 -0.48 0.62 114.93 120.91 4tmy h MET 70 Ca 0.51 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 4tmy h MET 70 Cb 0.94 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 4tmy h MET 70 CO -0.26 0.78 0.42 0.87 1.06 0.00 0.00 176.91 179.79 4tmy h LYS 71 N 0.72 1.09 0.09 1.72 1.57 0.84 -2.52 116.57 120.08 4tmy h LYS 71 Ca 0.14 -0.13 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 4tmy h LYS 71 Cb 0.45 -0.22 0.03 0.00 0.08 0.00 0.00 32.23 32.57 4tmy h LYS 71 CO 0.02 0.81 -1.08 0.82 -0.57 0.00 0.00 179.45 179.44 4tmy h ILE 72 N 1.10 1.32 -2.59 1.86 2.04 -0.29 -3.44 117.51 117.51 4tmy h ILE 72 Ca 0.28 -2.37 -0.40 0.00 1.00 0.00 0.00 64.86 63.36 4tmy h ILE 72 Cb 0.03 2.68 -0.37 0.00 -0.74 0.00 0.00 36.82 38.42 4tmy h ILE 72 CO -0.04 0.72 -0.69 -0.62 0.00 0.00 0.00 178.15 177.51 4tmy s ASP 73 N -7.27 2.20 0.00 1.72 2.15 0.21 -5.01 116.67 110.67 4tmy s ASP 73 Ca -0.10 -0.71 0.23 0.00 0.43 0.00 0.00 52.55 52.40 4tmy s ASP 73 Cb 0.05 0.11 1.40 0.00 -0.30 0.00 0.00 42.92 44.18 4tmy s ASP 73 CO 0.91 -0.38 1.82 -2.65 -0.17 0.00 0.00 175.17 174.70 4tmy n PRO 74 N 5.29 0.86 -0.21 4.34 -0.02 -1.07 -2.22 135.00 141.97 4tmy n PRO 74 Ca -0.05 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.50 4tmy n PRO 74 Cb 0.47 -1.42 0.16 0.00 -0.02 0.00 0.00 33.50 32.69 4tmy n PRO 74 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 4tmy n ASN 75 N -0.92 2.95 -4.72 2.55 3.02 -1.26 -5.03 115.26 111.84 4tmy n ASN 75 Ca 0.18 -2.68 -0.34 0.00 -0.03 0.00 0.00 54.58 51.71 4tmy n ASN 75 Cb 0.08 -0.36 0.10 0.00 -0.61 0.00 0.00 39.78 38.98 4tmy n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4tmy s ALA 76 N -2.20 2.09 -0.34 5.41 0.00 -0.94 -4.99 121.76 120.79 4tmy s ALA 76 Ca 0.29 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 4tmy s ALA 76 Cb 0.23 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.98 4tmy s ALA 76 CO 0.07 -1.91 0.07 0.15 0.00 0.00 0.00 175.76 174.14 4tmy s LYS 77 N -4.02 2.04 -0.11 0.00 1.02 -1.26 -4.99 119.74 112.41 4tmy s LYS 77 Ca 0.73 -1.61 0.03 0.00 0.02 0.00 0.00 55.97 55.14 4tmy s LYS 77 Cb -0.28 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.75 4tmy s LYS 77 CO 0.46 -0.84 -0.21 0.42 -0.92 0.00 0.00 175.35 174.26 4tmy s ILE 78 N 1.11 1.91 -0.12 2.17 1.01 -1.26 0.09 121.20 126.12 4tmy s ILE 78 Ca 0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 4tmy s ILE 78 Cb -0.21 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 4tmy s ILE 78 CO -0.04 0.52 -0.05 -0.63 0.00 0.00 0.00 174.94 174.74 4tmy s ILE 79 N 0.59 3.82 -0.08 2.92 1.01 0.11 0.13 121.20 129.70 4tmy s ILE 79 Ca -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.12 4tmy s ILE 79 Cb -0.17 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 4tmy s ILE 79 CO 0.04 0.54 -0.09 0.54 0.00 0.00 0.00 174.94 175.97 4tmy s VAL 80 N -0.13 3.53 -0.23 2.92 0.11 0.21 0.20 120.40 127.01 4tmy s VAL 80 Ca 0.02 -0.54 -0.06 0.00 -2.93 0.00 0.00 61.98 58.48 4tmy s VAL 80 Cb -0.13 -2.44 -0.02 0.00 -1.53 0.00 0.00 36.38 32.26 4tmy s VAL 80 CO 0.03 0.58 0.02 0.00 -3.33 0.00 0.00 175.10 172.39 4tmy s SER 82 N 1.37 3.37 0.49 0.00 1.04 -0.24 -3.31 113.70 116.42 4tmy s SER 82 Ca 0.05 -1.12 -0.04 0.00 0.48 0.00 0.00 55.95 55.32 4tmy s SER 82 Cb -0.15 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.68 4tmy s SER 82 CO 0.01 -0.15 0.77 0.00 0.98 0.00 0.00 173.24 174.85 4tmy s ALA 83 N -2.69 3.48 0.76 5.32 0.00 -1.26 -0.98 121.76 126.39 4tmy s ALA 83 Ca 0.30 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 4tmy s ALA 83 Cb -0.00 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.73 4tmy s ALA 83 CO 0.14 -0.44 1.17 -1.64 0.00 0.00 0.00 175.76 174.99 4tmy s MET 84 N -4.72 1.99 -1.21 0.00 1.00 -1.26 -2.45 119.30 112.65 4tmy s MET 84 Ca 0.48 1.61 0.00 0.00 0.00 0.00 0.00 55.69 57.79 4tmy s MET 84 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 34.83 32.90 4tmy s MET 84 CO 0.42 -1.91 0.00 0.41 0.00 0.00 0.00 175.02 173.94 4tmy n GLY 85 N 0.09 0.45 0.09 -0.03 0.00 -1.26 -4.84 105.19 99.68 4tmy n GLY 85 Ca 0.12 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.85 4tmy n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 4tmy n GLN 86 N -2.39 1.37 -0.18 1.61 6.02 -1.03 -4.85 117.38 117.94 4tmy n GLN 86 Ca -0.14 -2.39 0.18 0.00 -0.01 0.00 0.00 57.00 54.64 4tmy n GLN 86 Cb 0.54 -1.40 0.54 0.00 1.02 0.00 0.00 30.24 30.95 4tmy n GLN 86 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 4tmy h GLN 87 N 0.00 0.32 -0.13 -1.09 4.20 -1.88 -0.82 115.11 115.71 4tmy h GLN 87 Ca 0.00 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 4tmy h GLN 87 Cb 0.97 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 4tmy h GLN 87 CO 0.00 0.21 -0.45 0.00 -0.67 0.00 0.00 178.83 177.92 4tmy h ALA 88 N 1.63 0.98 0.00 3.87 0.00 -1.99 -2.70 119.26 121.06 4tmy h ALA 88 Ca 0.40 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 4tmy h ALA 88 Cb 1.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 4tmy h ALA 88 CO -0.12 0.64 -0.93 0.52 0.00 0.00 0.00 179.25 179.35 4tmy h MET 89 N 0.27 0.00 -0.59 0.00 2.86 -1.58 -3.07 114.93 112.81 4tmy h MET 89 Ca 0.02 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 4tmy h MET 89 Cb 0.91 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 4tmy h MET 89 CO 0.07 0.93 0.20 0.28 1.06 0.00 0.00 176.91 179.46 4tmy h VAL 90 N 0.00 1.22 -0.62 -2.22 2.07 -1.10 -0.55 116.25 115.05 4tmy h VAL 90 Ca -0.01 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 4tmy h VAL 90 Cb 1.70 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 4tmy h VAL 90 CO 0.12 0.29 0.30 0.40 0.02 0.00 0.00 177.57 178.69 4tmy h ILE 91 N 0.86 1.20 0.00 4.57 2.04 -1.39 0.11 117.51 124.91 4tmy h ILE 91 Ca 0.20 -0.57 -0.19 0.00 1.00 0.00 0.00 64.86 65.29 4tmy h ILE 91 Cb 0.22 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 4tmy h ILE 91 CO -0.01 0.24 -0.86 -0.33 0.00 0.00 0.00 178.15 177.19 4tmy h GLU 92 N 0.87 0.13 -0.18 2.37 5.08 -1.39 -2.13 114.58 119.34 4tmy h GLU 92 Ca 0.22 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 4tmy h GLU 92 Cb 0.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 4tmy h GLU 92 CO -0.03 0.91 0.04 0.00 -1.00 0.00 0.00 179.01 178.94 4tmy h ALA 93 N 1.04 0.23 0.19 3.43 0.00 0.06 0.29 119.26 124.51 4tmy h ALA 93 Ca -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 4tmy h ALA 93 Cb 1.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 4tmy h ALA 93 CO 0.13 -0.13 -0.11 0.82 0.00 0.00 0.00 179.25 179.96 4tmy h ILE 94 N 0.10 0.77 -0.97 0.00 2.04 -0.74 -0.61 117.51 118.10 4tmy h ILE 94 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.10 4tmy h ILE 94 Cb 0.26 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 4tmy h ILE 94 CO 0.00 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.87 4tmy h LYS 95 N -0.28 0.65 0.00 2.37 1.57 -1.35 0.30 116.57 119.83 4tmy h LYS 95 Ca -0.02 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 4tmy h LYS 95 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 4tmy h LYS 95 CO 0.03 0.43 -0.34 0.00 -0.57 0.00 0.00 179.45 178.99 4tmy h ALA 96 N 1.62 1.16 0.00 3.86 0.00 0.36 -3.47 119.26 122.79 4tmy h ALA 96 Ca 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.12 4tmy h ALA 96 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 4tmy h ALA 96 CO -0.29 0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.80 4tmy n GLY 97 N -0.14 1.99 3.49 0.00 0.00 0.11 -4.72 105.19 105.92 4tmy n GLY 97 Ca -0.01 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 4tmy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4tmy n ALA 98 N 0.00 -1.18 0.26 4.61 0.00 -0.96 -4.77 120.51 118.46 4tmy n ALA 98 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.76 4tmy n ALA 98 Cb 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 19.45 17.62 4tmy n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 4tmy n LYS 99 N 0.53 0.50 -3.66 0.00 4.76 0.34 -4.51 118.16 116.11 4tmy n LYS 99 Ca 0.11 0.05 0.04 0.00 -2.87 0.00 0.00 58.31 55.64 4tmy n LYS 99 Cb 0.38 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 4tmy n LYS 99 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 4tmy s ASP 100 N -4.78 -0.00 0.21 4.39 -1.08 -1.21 -5.03 116.67 109.15 4tmy s ASP 100 Ca 0.00 -0.02 0.03 0.00 -0.52 0.00 0.00 52.55 52.05 4tmy s ASP 100 Cb 0.12 0.02 -0.05 0.00 -1.46 0.00 0.00 42.92 41.54 4tmy s ASP 100 CO 0.80 -0.03 -0.01 0.72 0.52 0.00 0.00 175.17 177.16 4tmy s PHE 101 N -2.03 1.44 -0.02 -5.34 -0.71 -1.26 0.68 117.98 110.74 4tmy s PHE 101 Ca 0.19 -0.93 -0.01 0.00 -1.04 0.00 0.00 56.93 55.13 4tmy s PHE 101 Cb 0.06 -0.82 0.01 0.00 -1.21 0.00 0.00 43.02 41.06 4tmy s PHE 101 CO -0.06 -0.07 0.05 0.42 -1.34 0.00 0.00 175.22 174.21 4tmy s ILE 102 N -3.47 -0.02 0.23 -4.49 1.01 0.13 -4.84 121.20 109.75 4tmy s ILE 102 Ca 0.26 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 4tmy s ILE 102 Cb 0.05 -0.08 -0.07 0.00 0.01 0.00 0.00 42.46 42.37 4tmy s ILE 102 CO 0.07 0.03 0.53 -0.69 0.00 0.00 0.00 174.94 174.88 4tmy s VAL 103 N 0.36 4.97 -0.14 2.92 1.01 -1.26 -1.08 120.40 127.18 4tmy s VAL 103 Ca -0.03 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 4tmy s VAL 103 Cb -0.04 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 4tmy s VAL 103 CO -0.01 -0.10 0.03 -0.54 0.00 0.00 0.00 175.10 174.48 4tmy s LYS 104 N -2.92 3.53 0.39 2.72 1.02 -0.15 -3.03 119.74 121.30 4tmy s LYS 104 Ca 0.46 -0.37 -0.23 0.00 0.02 0.00 0.00 55.97 55.85 4tmy s LYS 104 Cb -0.11 -3.02 -0.11 0.00 -0.52 0.00 0.00 37.83 34.08 4tmy s LYS 104 CO 0.23 0.47 0.95 -1.25 -0.92 0.00 0.00 175.35 174.84 4tmy s PRO 105 N -0.22 4.34 0.54 -1.68 0.04 -1.26 -4.19 135.00 132.57 4tmy s PRO 105 Ca 0.07 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 4tmy s PRO 105 Cb -0.12 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 4tmy s PRO 105 CO 0.02 0.07 0.70 1.19 0.04 0.00 0.00 177.00 179.02 4tmy n PHE 106 N -0.22 -0.03 -3.92 0.56 3.72 -1.17 -5.03 117.46 111.37 4tmy n PHE 106 Ca 0.05 0.47 -0.30 0.00 -0.05 0.00 0.00 57.45 57.63 4tmy n PHE 106 Cb 0.53 -2.04 -0.16 0.00 -0.94 0.00 0.00 39.48 36.87 4tmy n PHE 106 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 4tmy s GLN 107 N -2.18 1.50 0.27 -1.08 0.74 -1.26 -5.04 119.66 112.61 4tmy s GLN 107 Ca 0.69 -1.03 0.00 0.00 0.05 0.00 0.00 55.36 55.08 4tmy s GLN 107 Cb -0.47 -2.57 0.63 0.00 1.10 0.00 0.00 33.01 31.70 4tmy s GLN 107 CO 0.53 -0.65 1.68 -1.35 -0.55 0.00 0.00 175.29 174.95 4tmy h PRO 108 N 7.96 0.31 -0.55 1.67 0.11 -1.98 0.12 132.00 139.63 4tmy h PRO 108 Ca -0.17 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.94 4tmy h PRO 108 Cb 1.07 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 4tmy h PRO 108 CO 0.42 0.20 0.37 0.66 -0.21 0.00 0.00 178.00 179.44 4tmy h SER 109 N 0.32 0.60 0.20 -2.05 4.64 -1.99 -0.42 113.55 114.85 4tmy h SER 109 Ca 0.51 -0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 61.49 4tmy h SER 109 Cb 0.94 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 62.90 4tmy h SER 109 CO -0.55 0.43 -1.54 0.03 -0.87 0.00 0.00 176.83 174.33 4tmy h ARG 110 N 0.71 0.43 -0.43 4.77 2.47 -1.37 -2.51 114.38 118.45 4tmy h ARG 110 Ca 0.21 -0.74 0.09 0.00 -1.26 0.00 0.00 59.98 58.28 4tmy h ARG 110 Cb -0.02 0.28 -0.09 0.00 -1.65 0.00 0.00 29.97 28.49 4tmy h ARG 110 CO -0.05 1.35 -0.22 0.28 0.56 0.00 0.00 179.97 181.90 4tmy h VAL 111 N 0.04 0.37 -0.21 2.04 2.07 -0.41 -1.97 116.25 118.18 4tmy h VAL 111 Ca -0.29 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 4tmy h VAL 111 Cb 2.06 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 4tmy h VAL 111 CO 0.20 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 178.34 4tmy h VAL 112 N -0.13 1.28 -0.76 2.57 2.07 -1.15 -1.69 116.25 118.43 4tmy h VAL 112 Ca 0.21 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.85 4tmy h VAL 112 Cb 0.45 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 4tmy h VAL 112 CO -0.52 0.30 0.39 -0.08 0.02 0.00 0.00 177.57 177.69 4tmy h GLU 113 N 0.12 0.63 0.24 1.57 4.81 -1.33 -0.15 114.58 120.47 4tmy h GLU 113 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 4tmy h GLU 113 Cb 0.46 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.71 4tmy h GLU 113 CO 0.02 0.41 -0.12 0.00 -0.73 0.00 0.00 179.01 178.59 4tmy h ALA 114 N 1.46 -0.33 -0.93 2.92 0.00 -1.26 -0.13 119.26 120.99 4tmy h ALA 114 Ca 0.38 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.24 4tmy h ALA 114 Cb 0.42 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 4tmy h ALA 114 CO -0.28 -0.59 0.58 -0.07 0.00 0.00 0.00 179.25 178.88 4tmy h LEU 115 N -0.51 0.88 0.22 0.00 4.07 -0.75 -1.38 115.31 117.84 4tmy h LEU 115 Ca -0.03 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 4tmy h LEU 115 Cb 0.38 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.97 4tmy h LEU 115 CO 0.05 0.52 -0.11 0.78 -1.08 0.00 0.00 178.44 178.61 4tmy h ASN 116 N 0.99 -0.25 -0.63 -0.43 2.35 -0.99 -3.09 115.58 113.53 4tmy h ASN 116 Ca 0.43 -0.25 0.12 0.00 -0.55 0.00 0.00 56.30 56.06 4tmy h ASN 116 Cb 0.31 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.62 4tmy h ASN 116 CO -0.22 0.15 -0.23 0.50 -1.65 0.00 0.00 177.43 175.98 4tmy h LYS 117 N -0.70 -0.06 -0.42 0.81 3.64 -0.56 0.92 116.57 120.19 4tmy h LYS 117 Ca -0.03 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.48 4tmy h LYS 117 Cb 0.49 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 4tmy h LYS 117 CO 0.05 -0.04 0.34 0.28 -2.27 0.00 0.00 179.45 177.81 4tmy h VAL 118 N -0.07 0.65 0.00 2.00 2.07 -1.26 -3.51 116.25 116.13 4tmy h VAL 118 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 4tmy h VAL 118 Cb 0.51 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 4tmy h VAL 118 CO -0.68 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 175.71