#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wps n ARG 7 N 0.00 2.94 -2.85 5.31 3.00 -1.26 -4.94 116.66 118.86 1wps n ARG 7 Ca 0.00 -3.56 -0.43 0.00 -0.00 0.00 0.00 57.85 53.86 1wps n ARG 7 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 32.46 30.16 1wps n ARG 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1wps s ARG 8 N -3.71 3.21 0.13 -0.14 1.81 -1.26 -4.74 118.95 114.24 1wps s ARG 8 Ca 0.59 -0.98 0.09 0.00 -1.72 0.00 0.00 55.73 53.71 1wps s ARG 8 Cb 0.47 -4.38 0.48 0.00 -0.45 0.00 0.00 34.95 31.08 1wps s ARG 8 CO 0.01 -1.83 1.28 1.51 -0.68 0.00 0.00 175.30 175.59 1wps n ILE 9 N 5.90 1.59 -0.08 1.52 3.06 -1.26 -0.70 119.36 129.38 1wps n ILE 9 Ca 0.02 0.58 -0.10 0.00 -2.50 0.00 0.00 62.75 60.75 1wps n ILE 9 Cb 0.46 -1.58 -0.05 0.00 0.54 0.00 0.00 39.64 39.01 1wps n ILE 9 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1wps h GLY 10 N 0.08 0.00 0.96 4.50 0.00 -1.97 -3.33 103.07 103.31 1wps h GLY 10 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1wps h GLY 10 CO 0.00 0.00 0.32 -0.09 0.00 0.00 0.00 176.54 176.77 1wps h ARG 11 N -1.00 0.62 0.06 4.80 2.43 -1.86 -3.06 114.38 116.37 1wps h ARG 11 Ca -0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1wps h ARG 11 Cb 0.76 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1wps h ARG 11 CO -0.07 0.41 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.56 1wps h LEU 12 N 0.64 -0.50 -0.77 3.80 3.38 -1.12 -1.33 115.31 119.42 1wps h LEU 12 Ca 0.19 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.33 1wps h LEU 12 Cb -0.05 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1wps h LEU 12 CO -0.06 -0.19 -0.37 0.77 0.09 0.00 0.00 178.44 178.69 1wps h SER 13 N -0.26 -1.33 0.01 -0.43 4.64 -1.67 0.46 113.55 114.98 1wps h SER 13 Ca -0.01 0.27 0.03 0.00 -0.47 0.00 0.00 61.79 61.61 1wps h SER 13 Cb 0.25 0.67 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 1wps h SER 13 CO -0.08 -0.30 -0.27 0.58 -0.87 0.00 0.00 176.83 175.90 1wps h VAL 14 N -0.10 0.40 -0.98 0.95 2.07 -1.47 0.53 116.25 117.65 1wps h VAL 14 Ca 0.27 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.98 1wps h VAL 14 Cb 0.57 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 1wps h VAL 14 CO -0.81 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 177.32 1wps h LEU 15 N -0.42 0.69 0.64 2.57 3.38 0.32 0.26 115.31 122.75 1wps h LEU 15 Ca 0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1wps h LEU 15 Cb 0.50 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1wps h LEU 15 CO -0.23 0.26 -0.31 0.25 0.09 0.00 0.00 178.44 178.51 1wps h LEU 16 N 0.68 -0.72 -0.54 1.67 5.85 0.19 -1.28 115.31 121.15 1wps h LEU 16 Ca 0.54 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.32 1wps h LEU 16 Cb 0.95 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.07 1wps h LEU 16 CO -0.31 -0.37 -0.49 0.25 -0.34 0.00 0.00 178.44 177.18 1wps h LEU 17 N -1.10 -1.66 -1.85 2.25 5.85 0.11 -1.77 115.31 117.12 1wps h LEU 17 Ca -0.09 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1wps h LEU 17 Cb 0.70 0.73 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 1wps h LEU 17 CO 0.14 -0.35 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.80 1wps h LEU 18 N -0.27 0.00 -8.77 2.25 4.07 -1.02 -3.43 115.31 108.14 1wps h LEU 18 Ca 0.14 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.49 1wps h LEU 18 Cb 0.57 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.19 1wps h LEU 18 CO -0.67 0.02 0.36 0.20 -1.08 0.00 0.00 178.44 177.27 1wps s ASN 19 N -5.62 6.52 -0.39 -0.43 0.02 -0.49 -4.87 114.94 109.68 1wps s ASN 19 Ca -0.01 0.26 0.06 0.00 -1.02 0.00 0.00 52.86 52.16 1wps s ASN 19 Cb 0.10 -2.39 0.67 0.00 0.02 0.00 0.00 41.25 39.66 1wps s ASN 19 CO 0.52 -0.76 1.84 -0.62 0.02 0.00 0.00 177.10 178.10 1wps n GLU 20 N 6.45 2.64 -2.98 -0.60 -0.58 -1.26 -4.58 120.64 119.74 1wps n GLU 20 Ca 0.03 -3.05 -0.44 0.00 -0.42 0.00 0.00 57.16 53.27 1wps n GLU 20 Cb 0.48 -2.15 -0.01 0.00 -0.57 0.00 0.00 31.44 29.20 1wps n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wps s ALA 21 N -3.20 3.94 -1.16 0.62 0.00 -1.26 -4.59 121.76 116.10 1wps s ALA 21 Ca 0.55 -3.28 -0.30 0.00 0.00 0.00 0.00 51.96 48.92 1wps s ALA 21 Cb 0.46 -4.06 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1wps s ALA 21 CO 0.11 -2.76 0.68 -0.85 0.00 0.00 0.00 175.76 172.93 1wps n GLU 22 N 5.57 -0.42 -0.43 0.00 0.28 -1.26 -4.71 120.64 119.67 1wps n GLU 22 Ca 0.33 0.17 0.36 0.00 -0.16 0.00 0.00 57.16 57.86 1wps n GLU 22 Cb 0.44 -2.53 0.67 0.00 1.43 0.00 0.00 31.44 31.45 1wps n GLU 22 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1wps h GLU 23 N -2.33 0.12 -1.02 3.44 4.11 -1.81 -0.49 114.58 116.60 1wps h GLU 23 Ca -0.70 -0.01 0.26 0.00 0.07 0.00 0.00 59.36 58.98 1wps h GLU 23 Cb 1.40 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.51 1wps h GLU 23 CO 0.50 0.08 0.62 0.77 0.07 0.00 0.00 179.01 181.05 1wps h SER 24 N 0.12 0.59 -0.02 3.06 0.02 -1.97 -0.26 113.55 115.10 1wps h SER 24 Ca 0.73 0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 61.66 1wps h SER 24 Cb 2.46 0.03 0.01 0.00 0.14 0.00 0.00 62.40 65.05 1wps h SER 24 CO -0.23 0.08 -0.56 0.71 -1.14 0.00 0.00 176.83 175.69 1wps h THR 25 N 0.50 1.43 -0.63 -2.27 1.35 -1.39 -2.95 112.91 108.94 1wps h THR 25 Ca 0.64 -2.03 0.09 0.00 -0.55 0.00 0.00 66.41 64.57 1wps h THR 25 Cb 1.37 2.54 -0.07 0.00 -1.73 0.00 0.00 68.15 70.26 1wps h THR 25 CO -0.43 0.59 0.25 1.56 -0.25 0.00 0.00 175.52 177.24 1wps h GLN 26 N -0.10 0.43 0.00 4.72 4.20 -1.18 -0.45 115.11 122.73 1wps h GLN 26 Ca -0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1wps h GLN 26 Cb 1.26 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1wps h GLN 26 CO 0.11 0.28 0.00 0.28 -0.67 0.00 0.00 178.83 178.84 1wps n VAL 27 N -4.97 0.00 -0.48 -0.54 0.31 -0.30 -1.77 118.33 110.58 1wps n VAL 27 Ca 0.09 1.48 0.40 0.00 -0.01 0.00 0.00 64.34 66.30 1wps n VAL 27 Cb 0.28 -2.39 0.71 0.00 -0.91 0.00 0.00 33.84 31.53 1wps n VAL 27 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1wps h GLU 28 N 0.00 0.07 -0.41 5.55 4.81 -1.33 1.16 114.58 124.43 1wps h GLU 28 Ca 0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1wps h GLU 28 Cb 0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1wps h GLU 28 CO 0.00 0.05 0.02 1.49 -0.73 0.00 0.00 179.01 179.84 1wps h GLU 29 N 0.07 0.71 0.06 1.92 4.81 -0.65 0.93 114.58 122.43 1wps h GLU 29 Ca 0.78 -0.21 -0.24 0.00 -0.13 0.00 0.00 59.36 59.56 1wps h GLU 29 Cb 2.75 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 32.05 1wps h GLU 29 CO -0.21 0.78 -1.10 -0.07 -0.73 0.00 0.00 179.01 177.68 1wps h LEU 30 N 0.54 0.27 -0.16 1.64 3.38 0.20 -2.76 115.31 118.42 1wps h LEU 30 Ca 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1wps h LEU 30 Cb 0.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1wps h LEU 30 CO 0.02 1.19 0.04 -0.33 0.09 0.00 0.00 178.44 179.45 1wps h GLU 31 N 0.06 0.26 0.00 1.13 5.08 -0.45 -0.61 114.58 120.05 1wps h GLU 31 Ca -0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wps h GLU 31 Cb 1.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1wps h GLU 31 CO 0.17 0.40 0.00 -2.13 -1.00 0.00 0.00 179.01 176.45 1wps n ARG 32 N -4.81 0.01 -1.95 2.33 0.63 0.31 -1.11 116.66 112.06 1wps n ARG 32 Ca -0.05 0.41 -0.28 0.00 -0.92 0.00 0.00 57.85 57.01 1wps n ARG 32 Cb 0.16 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.60 1wps n ARG 32 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wps n ASP 33 N -1.48 5.60 -3.73 6.15 2.03 -0.32 -4.95 116.55 119.86 1wps n ASP 33 Ca 0.01 -3.76 -0.27 0.00 0.52 0.00 0.00 54.79 51.29 1wps n ASP 33 Cb 0.05 -0.53 0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1wps n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wps n GLY 34 N -0.71 -0.67 3.14 0.27 0.00 -0.27 -4.95 105.19 102.01 1wps n GLY 34 Ca 0.48 0.32 -0.18 0.00 0.00 0.00 0.00 46.02 46.64 1wps n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wps s TRP 35 N -3.63 1.10 -0.34 1.61 0.52 -0.70 -4.60 118.94 112.90 1wps s TRP 35 Ca 0.26 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.85 1wps s TRP 35 Cb -0.09 -0.64 0.01 0.00 -1.15 0.00 0.00 33.47 31.61 1wps s TRP 35 CO 0.85 0.03 0.18 0.15 0.02 0.00 0.00 176.95 178.18 1wps s LYS 36 N -1.53 3.08 0.22 4.98 3.01 -0.27 -4.17 119.74 125.07 1wps s LYS 36 Ca -0.02 -0.90 0.06 0.00 -1.01 0.00 0.00 55.97 54.10 1wps s LYS 36 Cb -0.09 -3.65 -0.04 0.00 -1.01 0.00 0.00 37.83 33.05 1wps s LYS 36 CO 0.02 -0.56 0.17 0.08 0.51 0.00 0.00 175.35 175.57 1wps s VAL 37 N 1.58 4.44 -0.21 3.17 1.01 -1.26 -0.94 120.40 128.19 1wps s VAL 37 Ca 0.03 -1.30 -0.25 0.00 0.00 0.00 0.00 61.98 60.46 1wps s VAL 37 Cb -0.18 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.91 1wps s VAL 37 CO 0.06 -0.27 0.68 0.00 0.00 0.00 0.00 175.10 175.57 1wps s LEU 39 N 0.04 2.30 0.00 0.00 1.43 -1.26 -0.51 118.68 120.68 1wps s LEU 39 Ca -0.02 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1wps s LEU 39 Cb -0.04 0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.29 1wps s LEU 39 CO 0.03 -0.36 0.06 0.61 0.23 0.00 0.00 176.35 176.91 1wps n GLY 40 N 1.26 0.93 3.36 -3.19 0.00 -0.37 -4.97 105.19 102.21 1wps n GLY 40 Ca -0.22 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1wps n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wps s LYS 41 N -2.00 1.01 -0.14 1.61 1.02 -1.25 -2.09 119.74 117.90 1wps s LYS 41 Ca 0.01 -0.32 -0.20 0.00 0.02 0.00 0.00 55.97 55.48 1wps s LYS 41 Cb -0.00 0.46 0.05 0.00 -0.52 0.00 0.00 37.83 37.82 1wps s LYS 41 CO 0.00 -0.36 0.52 0.14 -0.92 0.00 0.00 175.35 174.73 1wps s VAL 42 N -2.61 0.01 -0.32 3.17 -7.23 -0.20 -4.95 120.40 108.28 1wps s VAL 42 Ca -0.04 -0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.08 1wps s VAL 42 Cb -0.01 -0.77 0.41 0.00 0.56 0.00 0.00 36.38 36.58 1wps s VAL 42 CO -0.03 -0.04 1.48 0.61 -0.31 0.00 0.00 175.10 176.81 1wps n GLY 43 N 2.22 3.27 3.35 2.32 0.00 -1.26 0.70 105.19 115.78 1wps n GLY 43 Ca -0.16 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 1wps n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wps s SER 44 N -0.36 -0.42 -0.18 1.61 0.15 -1.26 -4.53 113.70 108.70 1wps s SER 44 Ca 0.33 0.62 0.16 0.00 0.70 0.00 0.00 55.95 57.76 1wps s SER 44 Cb 0.27 0.67 0.75 0.00 -1.71 0.00 0.00 66.02 66.00 1wps s SER 44 CO 0.07 -0.34 1.67 0.23 1.20 0.00 0.00 173.24 176.07 1wps n MET 45 N 1.97 4.24 -2.49 5.44 0.00 -1.24 -4.51 117.12 120.53 1wps n MET 45 Ca -0.17 -3.01 -0.43 0.00 0.00 0.00 0.00 57.70 54.09 1wps n MET 45 Cb 0.57 -2.07 -0.02 0.00 0.00 0.00 0.00 33.22 31.70 1wps n MET 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1wps s ASP 46 N -0.95 6.96 0.05 7.83 2.15 -1.19 -4.31 116.67 127.22 1wps s ASP 46 Ca 0.52 1.55 -0.10 0.00 0.43 0.00 0.00 52.55 54.94 1wps s ASP 46 Cb 0.37 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.43 1wps s ASP 46 CO 0.19 -0.77 0.80 0.00 -0.17 0.00 0.00 175.17 175.23 1wps n ALA 47 N 6.62 -0.21 0.03 3.66 0.00 -1.26 -1.07 120.51 128.28 1wps n ALA 47 Ca 0.13 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 1wps n ALA 47 Cb 0.45 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 1wps n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wps h HIS 48 N 0.00 -0.71 0.00 0.00 3.86 -1.99 -1.53 115.15 114.78 1wps h HIS 48 Ca 0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1wps h HIS 48 Cb 0.13 0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1wps h HIS 48 CO -0.62 -0.35 0.00 1.63 0.86 0.00 0.00 177.93 179.45 1wps n LYS 49 N -5.38 0.00 -0.31 2.45 4.76 -0.24 -1.29 118.16 118.15 1wps n LYS 49 Ca -0.04 0.68 -0.05 0.00 -2.87 0.00 0.00 58.31 56.03 1wps n LYS 49 Cb 0.29 -1.28 -0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1wps n LYS 49 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1wps n VAL 50 N -1.96 -0.46 -0.01 -0.18 0.31 -0.83 -0.49 118.33 114.70 1wps n VAL 50 Ca 0.00 1.83 -0.10 0.00 -0.01 0.00 0.00 64.34 66.05 1wps n VAL 50 Cb 0.00 -2.33 -0.04 0.00 -0.91 0.00 0.00 33.84 30.55 1wps n VAL 50 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1wps h ILE 51 N 0.00 0.95 -0.14 2.52 2.04 -0.88 0.72 117.51 122.71 1wps h ILE 51 Ca 0.19 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1wps h ILE 51 Cb 0.39 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1wps h ILE 51 CO -0.74 0.01 0.09 0.00 0.00 0.00 0.00 178.15 177.51 1wps h ALA 52 N 1.09 0.18 -0.39 1.87 0.00 0.17 1.43 119.26 123.61 1wps h ALA 52 Ca 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wps h ALA 52 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1wps h ALA 52 CO -0.07 -0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.01 1wps h ALA 53 N 1.02 0.46 -0.40 0.00 0.00 -0.39 -2.02 119.26 117.92 1wps h ALA 53 Ca 0.05 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1wps h ALA 53 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wps h ALA 53 CO -0.01 -0.26 -0.33 0.82 0.00 0.00 0.00 179.25 179.47 1wps h ILE 54 N 0.29 1.27 -0.91 0.00 2.04 0.97 -2.84 117.51 118.33 1wps h ILE 54 Ca 0.18 -1.50 0.08 0.00 1.00 0.00 0.00 64.86 64.61 1wps h ILE 54 Cb 0.16 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1wps h ILE 54 CO -0.19 0.51 0.59 -0.08 0.00 0.00 0.00 178.15 178.98 1wps h GLU 55 N 0.77 0.97 0.33 2.37 4.81 0.24 -2.02 114.58 122.06 1wps h GLU 55 Ca 0.08 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1wps h GLU 55 Cb 0.92 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1wps h GLU 55 CO 0.09 0.64 -0.16 1.15 -0.73 0.00 0.00 179.01 180.00 1wps h THR 56 N 1.00 0.38 -0.93 0.32 2.02 -1.26 -2.07 112.91 112.37 1wps h THR 56 Ca 0.40 -0.76 0.27 0.00 0.77 0.00 0.00 66.41 67.10 1wps h THR 56 Cb 0.27 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1wps h THR 56 CO -0.16 0.09 0.78 0.00 0.37 0.00 0.00 175.52 176.59 1wps h ALA 57 N -0.74 2.81 0.11 6.16 0.00 -1.39 0.13 119.26 126.34 1wps h ALA 57 Ca -0.05 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1wps h ALA 57 Cb 0.49 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.37 1wps h ALA 57 CO 0.07 -1.26 -1.10 0.77 0.00 0.00 0.00 179.25 177.74 1wps h SER 58 N 0.00 0.77 0.11 0.00 0.02 -1.28 -2.92 113.55 110.26 1wps h SER 58 Ca 0.44 -0.84 -0.23 0.00 -0.84 0.00 0.00 61.79 60.33 1wps h SER 58 Cb 1.99 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 64.29 1wps h SER 58 CO -0.00 1.53 -0.89 0.11 -1.14 0.00 0.00 176.83 176.44 1wps h LYS 59 N 0.12 0.58 0.62 3.45 1.57 -0.09 -2.58 116.57 120.25 1wps h LYS 59 Ca -0.17 -0.56 -0.03 0.00 -1.87 0.00 0.00 60.65 58.02 1wps h LYS 59 Cb 1.80 0.14 0.01 0.00 0.08 0.00 0.00 32.23 34.26 1wps h LYS 59 CO 0.21 1.18 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.75 1wps h LYS 60 N 0.36 -0.81 -7.36 3.15 3.64 -1.17 -3.41 116.57 110.98 1wps h LYS 60 Ca -0.08 0.06 -0.44 0.00 -1.27 0.00 0.00 60.65 58.91 1wps h LYS 60 Cb 1.52 0.18 0.17 0.00 -0.41 0.00 0.00 32.23 33.69 1wps h LYS 60 CO 0.17 -0.53 0.17 -1.54 -2.27 0.00 0.00 179.45 175.45 1wps s SER 61 N -4.47 2.20 -0.11 4.20 1.04 -1.10 -4.88 113.70 110.57 1wps s SER 61 Ca -0.17 1.08 0.03 0.00 0.48 0.00 0.00 55.95 57.37 1wps s SER 61 Cb 0.03 -1.69 0.24 0.00 0.10 0.00 0.00 66.02 64.70 1wps s SER 61 CO 0.61 -3.39 1.11 0.61 0.98 0.00 0.00 173.24 173.17 1wps n GLY 62 N -0.99 2.41 0.26 7.32 0.00 -1.26 -4.42 105.19 108.51 1wps n GLY 62 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.79 1wps n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wps h VAL 63 N 0.78 1.15 -3.38 1.61 2.07 -1.75 -3.45 116.25 113.29 1wps h VAL 63 Ca 0.11 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1wps h VAL 63 Cb 1.31 1.04 -0.20 0.00 -1.52 0.00 0.00 31.29 31.91 1wps h VAL 63 CO 0.26 0.20 -0.42 -0.51 0.02 0.00 0.00 177.57 177.12 1wps s ILE 64 N -4.92 0.08 0.59 4.57 2.07 -1.16 -4.97 121.20 117.46 1wps s ILE 64 Ca -0.06 -0.64 -0.19 0.00 -1.41 0.00 0.00 60.65 58.34 1wps s ILE 64 Cb 0.16 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 1wps s ILE 64 CO 0.73 -0.35 1.23 -1.10 -1.91 0.00 0.00 174.94 173.53 1wps s GLN 65 N -1.45 2.96 0.20 3.50 1.11 -1.26 -4.57 119.66 120.16 1wps s GLN 65 Ca -0.14 1.88 -0.07 0.00 0.01 0.00 0.00 55.36 57.04 1wps s GLN 65 Cb -0.07 -1.96 0.14 0.00 -1.01 0.00 0.00 33.01 30.11 1wps s GLN 65 CO 0.02 -1.23 1.69 0.77 0.01 0.00 0.00 175.29 176.55 1wps h SER 66 N 0.93 1.01 -3.26 5.90 0.02 -1.99 -3.39 113.55 112.78 1wps h SER 66 Ca -0.51 -0.26 -0.59 0.00 -0.84 0.00 0.00 61.79 59.59 1wps h SER 66 Cb 1.30 -0.27 -0.40 0.00 0.14 0.00 0.00 62.40 63.17 1wps h SER 66 CO 0.55 1.03 -0.75 -1.61 -1.14 0.00 0.00 176.83 174.91 1wps s GLU 67 N -5.10 0.92 -0.30 3.45 2.02 -1.26 -5.05 118.70 113.38 1wps s GLU 67 Ca -0.11 -1.42 -0.10 0.00 0.02 0.00 0.00 54.97 53.36 1wps s GLU 67 Cb 0.14 -2.11 0.14 0.00 0.10 0.00 0.00 34.13 32.40 1wps s GLU 67 CO 0.85 -1.05 0.70 0.20 0.02 0.00 0.00 175.26 175.97 1wps s GLY 68 N 1.15 -0.68 0.14 -1.39 0.00 -1.26 -5.05 107.32 100.23 1wps s GLY 68 Ca 0.13 2.40 -0.13 0.00 0.00 0.00 0.00 44.72 47.13 1wps s GLY 68 CO -0.15 3.13 1.53 -1.82 0.00 0.00 0.00 173.10 175.79 1wps h TYR 69 N 7.93 0.97 -0.29 1.90 3.20 -1.96 -3.07 116.97 125.65 1wps h TYR 69 Ca -0.18 -0.22 0.06 0.00 3.14 0.00 0.00 58.73 61.53 1wps h TYR 69 Cb 1.11 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 1wps h TYR 69 CO 0.16 0.98 -0.16 -0.09 -1.64 0.00 0.00 178.16 177.41 1wps h ARG 70 N 0.67 -0.12 -0.18 1.82 2.43 -2.00 -1.18 114.38 115.82 1wps h ARG 70 Ca 0.10 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 1wps h ARG 70 Cb 0.70 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1wps h ARG 70 CO 0.05 -0.08 -0.61 0.93 -1.51 0.00 0.00 179.97 178.75 1wps h GLU 71 N -0.12 0.61 -0.10 0.20 5.08 -1.98 -2.91 114.58 115.36 1wps h GLU 71 Ca 0.15 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1wps h GLU 71 Cb 0.35 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1wps h GLU 71 CO -0.36 1.04 -0.23 0.77 -1.00 0.00 0.00 179.01 179.22 1wps h SER 72 N 0.45 0.16 -0.15 1.42 0.02 -1.40 -0.67 113.55 113.37 1wps h SER 72 Ca -0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1wps h SER 72 Cb 1.18 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 1wps h SER 72 CO 0.12 0.41 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.41 1wps h HIS 73 N 0.15 0.36 -0.68 3.45 -0.00 -1.13 0.13 115.15 117.43 1wps h HIS 73 Ca 0.03 -0.09 0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1wps h HIS 73 Cb 0.50 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.78 1wps h HIS 73 CO 0.01 0.63 0.42 0.00 -0.00 0.00 0.00 177.93 178.98 1wps h ALA 74 N 0.68 0.90 0.67 5.26 0.00 -1.28 0.35 119.26 125.83 1wps h ALA 74 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wps h ALA 74 Cb 0.53 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wps h ALA 74 CO 0.02 0.18 -0.32 1.25 0.00 0.00 0.00 179.25 180.38 1wps h LEU 75 N 0.82 -0.76 -0.68 0.00 5.85 -1.07 0.69 115.31 120.17 1wps h LEU 75 Ca 0.28 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.12 1wps h LEU 75 Cb 0.04 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 1wps h LEU 75 CO -0.12 -0.42 0.16 1.88 -0.34 0.00 0.00 178.44 179.60 1wps h TYR 76 N -1.09 0.25 0.08 1.25 -1.99 -0.78 0.16 116.97 114.85 1wps h TYR 76 Ca -0.09 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 1wps h TYR 76 Cb 0.72 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1wps h TYR 76 CO -0.00 -0.05 -0.04 1.25 -0.00 0.00 0.00 178.16 179.32 1wps h HIS 77 N 0.28 -0.10 -1.00 4.88 2.76 -0.26 -0.36 115.15 121.35 1wps h HIS 77 Ca 0.37 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.71 1wps h HIS 77 Cb 0.59 0.03 -0.10 0.00 1.55 0.00 0.00 27.41 29.48 1wps h HIS 77 CO -0.25 0.10 0.61 0.00 -1.30 0.00 0.00 177.93 177.09 1wps h ALA 78 N 0.62 1.62 -0.12 5.26 0.00 0.29 -1.29 119.26 125.65 1wps h ALA 78 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wps h ALA 78 Cb 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wps h ALA 78 CO 0.02 0.01 -0.04 1.15 0.00 0.00 0.00 179.25 180.38 1wps h THR 79 N 0.81 1.31 -0.77 0.00 2.02 -0.35 -2.81 112.91 113.12 1wps h THR 79 Ca 0.56 -1.03 0.12 0.00 0.77 0.00 0.00 66.41 66.83 1wps h THR 79 Cb 0.81 1.75 -0.08 0.00 -1.74 0.00 0.00 68.15 68.88 1wps h THR 79 CO -0.36 0.29 0.38 0.24 0.37 0.00 0.00 175.52 176.45 1wps h MET 80 N -0.10 0.58 0.39 6.66 2.86 0.03 0.60 114.93 125.96 1wps h MET 80 Ca 0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1wps h MET 80 Cb 0.48 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1wps h MET 80 CO 0.01 0.39 -0.27 0.93 1.06 0.00 0.00 176.91 179.03 1wps h GLU 81 N 0.60 -0.61 -1.02 1.72 5.08 -1.29 -1.82 114.58 117.25 1wps h GLU 81 Ca 0.40 0.04 0.24 0.00 -1.00 0.00 0.00 59.36 59.04 1wps h GLU 81 Cb 0.49 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 1wps h GLU 81 CO -0.32 -0.41 0.63 0.00 -1.00 0.00 0.00 179.01 177.92 1wps h ALA 82 N -1.46 1.99 0.00 3.43 0.00 -1.11 -0.74 119.26 121.37 1wps h ALA 82 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wps h ALA 82 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wps h ALA 82 CO 0.04 -0.41 -0.14 1.25 0.00 0.00 0.00 179.25 179.99 1wps h LEU 83 N 0.52 0.00 -0.28 0.00 6.46 0.82 -0.57 115.31 122.26 1wps h LEU 83 Ca 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.36 1wps h LEU 83 Cb 1.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1wps h LEU 83 CO -0.36 0.14 0.00 1.41 -0.62 0.00 0.00 178.44 179.01 1wps n HIS 84 N -4.05 0.85 -0.09 1.25 8.25 -0.29 -2.93 115.22 118.21 1wps n HIS 84 Ca -0.02 0.28 -0.11 0.00 -0.26 0.00 0.00 57.72 57.60 1wps n HIS 84 Cb 0.22 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.33 1wps n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wps n GLY 85 N 0.79 -0.81 0.38 -1.41 0.00 -0.28 -3.82 105.19 100.03 1wps n GLY 85 Ca 0.04 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.10 1wps n GLY 85 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wps h VAL 86 N -1.00 0.66 -3.34 1.61 -1.51 -1.13 -3.20 116.25 108.34 1wps h VAL 86 Ca -0.13 -0.20 -0.57 0.00 -1.23 0.00 0.00 66.70 64.57 1wps h VAL 86 Cb 0.86 0.04 -0.06 0.00 -2.13 0.00 0.00 31.29 30.00 1wps h VAL 86 CO -0.08 0.10 -0.03 0.42 -1.23 0.00 0.00 177.57 176.76 1wps s THR 87 N -5.64 5.10 0.51 7.19 -4.23 -1.15 -4.71 115.64 112.71 1wps s THR 87 Ca -0.10 1.20 0.22 0.00 -1.18 0.00 0.00 61.69 61.83 1wps s THR 87 Cb 0.24 -3.93 0.37 0.00 1.34 0.00 0.00 72.50 70.52 1wps s THR 87 CO 0.79 0.30 2.01 0.03 -0.54 0.00 0.00 174.62 177.22 1wps h ARG 88 N 6.61 0.09 0.00 3.99 3.08 -1.76 -3.42 114.38 122.97 1wps h ARG 88 Ca -0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1wps h ARG 88 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1wps h ARG 88 CO 0.75 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 1wps n GLY 89 N -1.60 -0.35 3.40 0.04 0.00 -1.25 -4.83 105.19 100.60 1wps n GLY 89 Ca 0.08 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1wps n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wps s GLU 90 N -1.81 3.48 0.49 1.61 0.41 -1.26 -4.88 118.70 116.74 1wps s GLU 90 Ca 0.00 -1.83 0.29 0.00 -0.41 0.00 0.00 54.97 53.02 1wps s GLU 90 Cb 0.00 -4.63 1.37 0.00 -1.78 0.00 0.00 34.13 29.09 1wps s GLU 90 CO 0.00 -1.60 1.81 1.98 -0.49 0.00 0.00 175.26 176.95 1wps h MET 91 N 8.65 0.14 -0.60 1.61 1.85 -1.87 0.34 114.93 125.05 1wps h MET 91 Ca 0.04 -0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.18 1wps h MET 91 Cb 1.04 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 33.00 1wps h MET 91 CO 1.01 0.10 0.40 1.25 -0.40 0.00 0.00 176.91 179.27 1wps h LEU 92 N 0.15 0.52 -1.56 3.39 6.46 -1.95 -2.04 115.31 120.28 1wps h LEU 92 Ca 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.31 1wps h LEU 92 Cb 1.88 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 1wps h LEU 92 CO -0.12 0.34 0.00 -0.07 -0.62 0.00 0.00 178.44 177.97 1wps h LEU 93 N 0.59 0.00 -0.12 2.25 4.07 -0.71 -1.62 115.31 119.77 1wps h LEU 93 Ca 0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1wps h LEU 93 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1wps h LEU 93 CO -0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 1wps n GLY 94 N -0.76 -1.15 0.10 0.83 0.00 -0.77 -2.77 105.19 100.68 1wps n GLY 94 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 1wps n GLY 94 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wps h SER 95 N 0.00 0.27 0.15 1.61 0.02 -1.47 -3.14 113.55 111.00 1wps h SER 95 Ca 0.00 -0.90 -0.02 0.00 -0.84 0.00 0.00 61.79 60.03 1wps h SER 95 Cb 0.33 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1wps h SER 95 CO 0.00 1.15 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.66 1wps h LEU 96 N -0.56 0.00 -8.86 5.07 3.38 -1.68 -3.42 115.31 109.24 1wps h LEU 96 Ca -0.07 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.34 1wps h LEU 96 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1wps h LEU 96 CO 0.08 0.11 1.11 -0.76 0.09 0.00 0.00 178.44 179.07 1wps s LEU 97 N -8.30 3.65 0.65 1.67 1.43 -1.20 -4.99 118.68 111.59 1wps s LEU 97 Ca -0.04 1.10 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 1wps s LEU 97 Cb 0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.95 1wps s LEU 97 CO 0.65 -1.43 0.89 -0.13 0.23 0.00 0.00 176.35 176.56 1wps s ARG 98 N 4.96 1.99 -0.45 1.70 0.52 -1.26 -4.68 118.95 121.72 1wps s ARG 98 Ca 0.66 -1.42 -0.39 0.00 -0.52 0.00 0.00 55.73 54.06 1wps s ARG 98 Cb -0.18 -2.50 0.06 0.00 0.52 0.00 0.00 34.95 32.85 1wps s ARG 98 CO 0.31 -1.15 0.67 -2.37 0.02 0.00 0.00 175.30 172.77 1wps n THR 99 N -2.53 -4.03 -3.83 0.02 5.66 -1.26 -4.93 114.28 103.39 1wps n THR 99 Ca 0.16 0.09 -0.06 0.00 -3.05 0.00 0.00 64.05 61.19 1wps n THR 99 Cb 0.61 -3.60 -0.02 0.00 -1.55 0.00 0.00 70.33 65.77 1wps n THR 99 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1wps n VAL 100 N -0.21 0.00 -3.57 1.08 3.14 -1.26 -3.71 118.33 113.80 1wps n VAL 100 Ca -0.09 -0.74 -0.12 0.00 -2.96 0.00 0.00 64.34 60.44 1wps n VAL 100 Cb 0.68 0.44 -0.05 0.00 -1.06 0.00 0.00 33.84 33.85 1wps n VAL 100 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1wps s GLY 101 N -1.86 -0.31 -0.05 7.55 0.00 -1.00 -4.69 107.32 106.97 1wps s GLY 101 Ca 0.12 1.96 -0.02 0.00 0.00 0.00 0.00 44.72 46.78 1wps s GLY 101 CO 0.09 1.06 0.09 -2.27 0.00 0.00 0.00 173.10 172.07 1wps s LEU 102 N -1.04 0.39 -0.27 0.66 2.96 0.22 -2.58 118.68 119.02 1wps s LEU 102 Ca -0.03 0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1wps s LEU 102 Cb -0.01 0.03 -0.05 0.00 0.50 0.00 0.00 46.19 46.67 1wps s LEU 102 CO 0.02 -0.21 0.16 -0.60 -1.32 0.00 0.00 176.35 174.41 1wps s ARG 103 N 1.81 3.93 0.18 1.98 3.52 -0.15 -1.03 118.95 129.19 1wps s ARG 103 Ca -0.01 -0.33 0.11 0.00 -0.13 0.00 0.00 55.73 55.37 1wps s ARG 103 Cb -0.12 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1wps s ARG 103 CO -0.04 -0.12 -0.21 -0.59 -0.81 0.00 0.00 175.30 173.52 1wps s PHE 104 N 1.57 2.37 -0.05 5.12 -0.12 -0.89 -0.78 117.98 125.21 1wps s PHE 104 Ca 0.07 -0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1wps s PHE 104 Cb -0.15 -1.19 0.04 0.00 -0.63 0.00 0.00 43.02 41.09 1wps s PHE 104 CO 0.08 0.48 0.10 0.00 -0.05 0.00 0.00 175.22 175.84 1wps s ALA 105 N -1.60 -0.08 0.06 1.99 0.00 -0.38 -1.23 121.76 120.53 1wps s ALA 105 Ca 0.21 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1wps s ALA 105 Cb -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1wps s ALA 105 CO 0.10 -0.24 -0.18 0.08 0.00 0.00 0.00 175.76 175.53 1wps s VAL 106 N 1.42 2.82 -0.10 0.00 1.01 0.34 -0.63 120.40 125.25 1wps s VAL 106 Ca -0.06 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 1wps s VAL 106 Cb -0.12 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.08 1wps s VAL 106 CO -0.05 0.27 0.26 -0.22 0.00 0.00 0.00 175.10 175.37 1wps s LEU 107 N -1.63 0.65 -0.03 3.92 2.96 -0.94 -1.43 118.68 122.19 1wps s LEU 107 Ca 0.16 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1wps s LEU 107 Cb -0.11 0.84 0.03 0.00 0.50 0.00 0.00 46.19 47.45 1wps s LEU 107 CO 0.07 -0.13 0.03 -0.60 -1.32 0.00 0.00 176.35 174.40 1wps s ARG 108 N 0.77 0.02 0.00 1.98 3.00 -0.12 -1.77 118.95 122.83 1wps s ARG 108 Ca -0.05 0.22 0.00 0.00 -1.00 0.00 0.00 55.73 54.89 1wps s ARG 108 Cb -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 34.95 34.53 1wps s ARG 108 CO -0.05 -0.20 0.00 0.41 0.00 0.00 0.00 175.30 175.46 1wps n GLY 109 N 4.46 -1.27 3.54 8.12 0.00 -1.07 -1.11 105.19 117.85 1wps n GLY 109 Ca -0.22 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1wps n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wps s ASN 110 N -3.78 6.40 0.25 1.61 3.84 -1.26 -1.45 114.94 120.55 1wps s ASN 110 Ca 0.00 -0.17 0.07 0.00 0.21 0.00 0.00 52.86 52.97 1wps s ASN 110 Cb 0.00 -2.39 0.29 0.00 -0.55 0.00 0.00 41.25 38.61 1wps s ASN 110 CO 0.00 -0.95 1.58 -0.65 -2.79 0.00 0.00 177.10 174.29 1wps h PRO 111 N 9.02 0.15 -2.16 0.43 0.11 -1.85 -3.30 132.00 134.39 1wps h PRO 111 Ca -0.25 -0.10 -0.80 0.00 0.11 0.00 0.00 66.00 64.96 1wps h PRO 111 Cb 1.08 0.02 -0.27 0.00 0.11 0.00 0.00 31.00 31.94 1wps h PRO 111 CO 0.97 0.71 1.05 0.66 -0.21 0.00 0.00 178.00 181.18 1wps n TYR 112 N -3.85 2.85 -3.29 0.65 4.01 -1.26 -4.81 117.16 111.45 1wps n TYR 112 Ca -0.02 -2.48 -0.19 0.00 -0.16 0.00 0.00 57.90 55.05 1wps n TYR 112 Cb 0.61 -1.19 -0.02 0.00 -0.31 0.00 0.00 39.34 38.43 1wps n TYR 112 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1wps n GLU 113 N -0.23 -2.43 -3.00 -0.72 2.13 -1.24 -1.73 120.64 113.41 1wps n GLU 113 Ca 0.49 0.21 -0.19 0.00 0.66 0.00 0.00 57.16 58.33 1wps n GLU 113 Cb 0.25 -4.80 0.00 0.00 0.27 0.00 0.00 31.44 27.16 1wps n GLU 113 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1wps n SER 114 N -2.00 -4.07 -4.34 4.31 2.88 -1.26 -4.93 113.62 104.21 1wps n SER 114 Ca 0.02 -0.17 -0.43 0.00 -1.33 0.00 0.00 58.87 56.95 1wps n SER 114 Cb 0.51 -3.39 -0.08 0.00 -0.75 0.00 0.00 64.21 60.50 1wps n SER 114 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1wps s GLU 115 N -5.63 2.86 -1.33 -1.46 -1.05 -0.71 -4.53 118.70 106.85 1wps s GLU 115 Ca 0.25 -1.44 -0.09 0.00 -0.15 0.00 0.00 54.97 53.53 1wps s GLU 115 Cb -0.13 -4.05 0.07 0.00 -0.44 0.00 0.00 34.13 29.58 1wps s GLU 115 CO 0.31 -1.05 0.53 0.00 0.95 0.00 0.00 175.26 175.99 1wps n ALA 116 N 5.12 -1.07 -2.11 -0.84 0.00 -1.26 -4.94 120.51 115.41 1wps n ALA 116 Ca -0.12 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 1wps n ALA 116 Cb 0.43 -2.98 -0.10 0.00 0.00 0.00 0.00 19.45 16.80 1wps n ALA 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wps s GLU 117 N -6.03 0.61 0.59 0.00 2.12 -1.26 -5.17 118.70 109.56 1wps s GLU 117 Ca 0.41 -1.21 0.08 0.00 0.36 0.00 0.00 54.97 54.62 1wps s GLU 117 Cb -0.21 0.21 0.08 0.00 0.26 0.00 0.00 34.13 34.47 1wps s GLU 117 CO 0.50 -0.11 0.68 0.20 -0.54 0.00 0.00 175.26 175.99 1wps s GLY 118 N -2.90 1.94 0.60 -1.50 0.00 -1.26 -4.82 107.32 99.38 1wps s GLY 118 Ca 0.07 -1.84 -0.16 0.00 0.00 0.00 0.00 44.72 42.78 1wps s GLY 118 CO -0.10 -1.80 1.09 0.99 0.00 0.00 0.00 173.10 173.28 1wps s ASP 119 N -4.57 5.51 0.42 1.64 1.01 -1.26 -4.66 116.67 114.76 1wps s ASP 119 Ca 0.52 1.98 0.03 0.00 0.71 0.00 0.00 52.55 55.79 1wps s ASP 119 Cb -0.04 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1wps s ASP 119 CO 0.33 -1.36 0.09 0.26 0.21 0.00 0.00 175.17 174.71 1wps s TRP 120 N -2.23 1.84 0.04 4.23 0.52 -0.52 -1.36 118.94 121.44 1wps s TRP 120 Ca 0.67 -1.17 -0.16 0.00 0.02 0.00 0.00 56.10 55.46 1wps s TRP 120 Cb -0.20 -1.28 0.03 0.00 -1.15 0.00 0.00 33.47 30.87 1wps s TRP 120 CO 0.36 -0.14 0.35 -1.50 0.02 0.00 0.00 176.95 176.04 1wps s ILE 121 N -3.13 0.07 0.01 2.03 2.07 0.20 -2.61 121.20 119.83 1wps s ILE 121 Ca 0.21 -0.56 -0.10 0.00 -1.41 0.00 0.00 60.65 58.79 1wps s ILE 121 Cb 0.03 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1wps s ILE 121 CO 0.12 -0.31 0.21 0.00 -1.91 0.00 0.00 174.94 173.05 1wps s ALA 122 N -2.35 -0.48 -0.19 1.50 0.00 -0.73 -0.13 121.76 119.39 1wps s ALA 122 Ca -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1wps s ALA 122 Cb -0.01 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.33 1wps s ALA 122 CO -0.02 -0.28 0.06 0.08 0.00 0.00 0.00 175.76 175.60 1wps s VAL 123 N -1.78 0.26 -0.05 0.00 1.01 0.67 -2.21 120.40 118.31 1wps s VAL 123 Ca -0.11 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1wps s VAL 123 Cb -0.05 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1wps s VAL 123 CO 0.00 -0.26 0.39 -0.44 0.00 0.00 0.00 175.10 174.80 1wps s SER 124 N 1.98 6.72 -0.12 3.32 0.01 0.20 -1.68 113.70 124.13 1wps s SER 124 Ca 0.01 0.86 -0.00 0.00 1.31 0.00 0.00 55.95 58.12 1wps s SER 124 Cb -0.17 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.85 1wps s SER 124 CO -0.09 0.24 -0.09 -0.76 0.41 0.00 0.00 173.24 172.95 1wps s LEU 125 N -0.57 1.30 -0.29 2.44 1.02 -0.12 -1.24 118.68 121.22 1wps s LEU 125 Ca 0.23 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.05 1wps s LEU 125 Cb -0.16 -0.90 0.06 0.00 0.02 0.00 0.00 46.19 45.21 1wps s LEU 125 CO 0.11 -0.10 -0.03 -0.47 0.02 0.00 0.00 176.35 175.88 1wps s TYR 126 N 1.61 3.32 -0.06 0.29 5.04 0.04 -0.99 117.35 126.60 1wps s TYR 126 Ca 0.04 -2.18 0.04 0.00 -2.44 0.00 0.00 57.07 52.53 1wps s TYR 126 Cb -0.13 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 1wps s TYR 126 CO -0.08 -0.85 -0.17 0.20 -1.34 0.00 0.00 175.55 173.30 1wps s GLY 127 N 1.19 1.46 -0.00 8.97 0.00 0.86 -0.98 107.32 118.82 1wps s GLY 127 Ca -0.05 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 43.75 1wps s GLY 127 CO -0.03 -0.71 -0.25 -0.51 0.00 0.00 0.00 173.10 171.60 1wps s THR 128 N -0.51 1.98 -0.39 0.90 -4.23 -1.06 0.11 115.64 112.43 1wps s THR 128 Ca 0.07 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 1wps s THR 128 Cb -0.12 -1.66 0.09 0.00 1.34 0.00 0.00 72.50 72.16 1wps s THR 128 CO 0.01 0.49 0.18 -0.63 -0.54 0.00 0.00 174.62 174.13 1wps s ILE 129 N -0.64 3.41 0.44 2.99 1.09 0.28 -2.36 121.20 126.41 1wps s ILE 129 Ca 0.10 -1.81 0.08 0.00 -1.10 0.00 0.00 60.65 57.92 1wps s ILE 129 Cb -0.10 -3.22 0.01 0.00 -1.06 0.00 0.00 42.46 38.09 1wps s ILE 129 CO -0.00 -0.55 0.51 -0.83 -0.10 0.00 0.00 174.94 173.97 1wps s GLY 130 N 1.78 2.02 0.29 6.18 0.00 -1.24 0.92 107.32 117.27 1wps s GLY 130 Ca 0.05 -1.79 0.06 0.00 0.00 0.00 0.00 44.72 43.04 1wps s GLY 130 CO -0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 173.10 171.42 1wps s ALA 131 N -2.45 2.34 0.21 3.20 0.00 -1.00 -4.69 121.76 119.37 1wps s ALA 131 Ca 0.52 -1.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 1wps s ALA 131 Cb -0.06 0.26 0.14 0.00 0.00 0.00 0.00 23.12 23.46 1wps s ALA 131 CO 0.31 -0.11 1.77 -1.00 0.00 0.00 0.00 175.76 176.73 1wps h PRO 132 N 2.25 1.15 0.00 0.00 0.13 -1.97 -3.36 132.00 130.20 1wps h PRO 132 Ca -0.40 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1wps h PRO 132 Cb 1.23 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wps h PRO 132 CO 0.68 0.94 0.00 1.51 -0.23 0.00 0.00 178.00 180.90 1wps n ILE 133 N -4.30 0.00 -1.72 -3.56 3.06 -1.26 -4.85 119.36 106.72 1wps n ILE 133 Ca 0.07 0.37 -0.40 0.00 -2.50 0.00 0.00 62.75 60.28 1wps n ILE 133 Cb 0.19 -1.17 0.02 0.00 0.54 0.00 0.00 39.64 39.21 1wps n ILE 133 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1wps n LYS 134 N -1.76 1.99 0.00 9.51 3.00 -1.26 -4.94 118.16 124.70 1wps n LYS 134 Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 1wps n LYS 134 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 32.55 1wps n LYS 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wps n GLY 135 N 0.74 -1.58 3.06 3.14 0.00 -1.26 -2.43 105.19 106.87 1wps n GLY 135 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1wps n GLY 135 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wps s LEU 136 N -3.76 1.82 -0.04 0.99 0.20 -1.26 -2.39 118.68 114.24 1wps s LEU 136 Ca 0.00 -0.28 0.17 0.00 0.69 0.00 0.00 54.13 54.72 1wps s LEU 136 Cb 0.00 -0.78 -0.27 0.00 -0.43 0.00 0.00 46.19 44.72 1wps s LEU 136 CO 0.00 0.10 0.34 1.21 -0.29 0.00 0.00 176.35 177.71 1wps n GLU 137 N 3.30 0.65 -3.43 1.98 2.13 0.26 -4.92 120.64 120.60 1wps n GLU 137 Ca -0.19 -0.14 -0.12 0.00 0.66 0.00 0.00 57.16 57.37 1wps n GLU 137 Cb 0.53 -1.42 -0.02 0.00 0.27 0.00 0.00 31.44 30.80 1wps n GLU 137 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1wps s HIS 138 N -3.11 -0.53 -0.02 4.31 2.46 -0.99 -4.97 115.29 112.43 1wps s HIS 138 Ca -0.07 0.35 0.05 0.00 0.47 0.00 0.00 55.06 55.87 1wps s HIS 138 Cb 0.10 0.55 -0.01 0.00 -0.13 0.00 0.00 32.58 33.10 1wps s HIS 138 CO 0.73 -0.82 -0.19 -1.21 -2.47 0.00 0.00 174.74 170.78 1wps s GLU 139 N -3.60 1.65 0.01 2.88 2.02 -1.26 -0.55 118.70 119.85 1wps s GLU 139 Ca 0.01 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.35 1wps s GLU 139 Cb -0.01 -1.53 -0.01 0.00 0.10 0.00 0.00 34.13 32.68 1wps s GLU 139 CO -0.12 0.36 -0.07 0.95 0.02 0.00 0.00 175.26 176.40 1wps s THR 140 N -0.29 0.55 0.16 3.63 -4.23 0.29 -4.99 115.64 110.76 1wps s THR 140 Ca 0.04 -0.53 0.10 0.00 -1.18 0.00 0.00 61.69 60.12 1wps s THR 140 Cb -0.09 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1wps s THR 140 CO 0.00 -0.00 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.49 1wps s PHE 141 N -0.51 2.10 -0.15 3.99 0.08 -1.26 -0.10 117.98 122.13 1wps s PHE 141 Ca -0.01 -0.40 -0.24 0.00 0.12 0.00 0.00 56.93 56.40 1wps s PHE 141 Cb -0.05 -1.08 0.06 0.00 -0.57 0.00 0.00 43.02 41.38 1wps s PHE 141 CO 0.00 0.37 0.61 0.20 -0.10 0.00 0.00 175.22 176.30 1wps s GLY 142 N -2.39 -0.47 -0.12 4.36 0.00 -0.16 -2.59 107.32 105.95 1wps s GLY 142 Ca 0.15 1.47 -0.05 0.00 0.00 0.00 0.00 44.72 46.30 1wps s GLY 142 CO 0.07 1.19 0.24 0.14 0.00 0.00 0.00 173.10 174.75 1wps s VAL 143 N -0.34 -0.30 -0.07 1.40 1.01 -1.26 -0.94 120.40 119.90 1wps s VAL 143 Ca -0.05 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1wps s VAL 143 Cb -0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1wps s VAL 143 CO 0.04 0.11 -0.15 -0.83 0.00 0.00 0.00 175.10 174.27 1wps s GLY 144 N 2.12 1.50 -0.06 4.51 0.00 -0.67 -3.78 107.32 110.95 1wps s GLY 144 Ca -0.01 -0.96 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1wps s GLY 144 CO -0.08 -0.59 -0.02 -0.42 0.00 0.00 0.00 173.10 171.99 1wps s ILE 145 N -0.36 0.43 0.20 0.90 1.01 -1.26 -0.24 121.20 121.88 1wps s ILE 145 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1wps s ILE 145 Cb -0.12 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 1wps s ILE 145 CO 0.02 0.24 0.05 0.20 0.00 0.00 0.00 174.94 175.45 1wps s ASN 146 N 1.51 1.09 0.08 3.58 0.01 0.82 -4.89 114.94 117.13 1wps s ASN 146 Ca -0.02 -1.27 0.06 0.00 -0.71 0.00 0.00 52.86 50.92 1wps s ASN 146 Cb -0.13 0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.65 1wps s ASN 146 CO -0.03 -0.66 -0.08 -1.38 -1.51 0.00 0.00 177.10 173.44 1wps s HIS 147 N -3.75 2.81 -2.28 2.20 -3.43 -1.26 0.59 115.29 110.16 1wps s HIS 147 Ca 0.30 -0.11 0.30 0.00 -0.80 0.00 0.00 55.06 54.75 1wps s HIS 147 Cb 0.07 -1.49 1.43 0.00 -1.43 0.00 0.00 32.58 31.16 1wps s HIS 147 CO 0.08 0.41 1.96 -0.89 -2.00 0.00 0.00 174.74 174.31