#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv1 h ARG 5 N 0.00 -0.49 -0.35 4.33 2.43 -2.05 -0.90 114.38 117.35 2wv1 h ARG 5 Ca 0.00 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2wv1 h ARG 5 Cb 0.00 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.59 2wv1 h ARG 5 CO 0.00 -0.30 -0.09 0.93 -1.51 0.00 0.00 179.97 179.00 2wv1 h GLU 6 N -0.56 -0.01 -0.61 0.20 4.39 -2.05 -1.70 114.58 114.24 2wv1 h GLU 6 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2wv1 h GLU 6 Cb 0.42 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2wv1 h GLU 6 CO 0.09 -0.00 0.33 1.96 -1.16 0.00 0.00 179.01 180.23 2wv1 h GLN 7 N -0.01 0.84 -0.52 2.33 4.20 -1.96 -1.08 115.11 118.91 2wv1 h GLN 7 Ca 0.17 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2wv1 h GLN 7 Cb 0.26 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2wv1 h GLN 7 CO -0.36 0.64 0.11 1.15 -0.67 0.00 0.00 178.83 179.70 2wv1 h THR 8 N 0.82 1.22 -0.20 -0.54 2.02 -0.96 -1.69 112.91 113.59 2wv1 h THR 8 Ca 0.21 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 2wv1 h THR 8 Cb 0.04 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2wv1 h THR 8 CO -0.03 0.30 -0.16 0.24 0.37 0.00 0.00 175.52 176.24 2wv1 h MET 9 N 0.78 0.47 -0.49 6.66 2.86 -0.84 -1.72 114.93 122.64 2wv1 h MET 9 Ca 0.17 -0.23 0.10 0.00 -2.06 0.00 0.00 59.70 57.68 2wv1 h MET 9 Cb 0.31 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.87 2wv1 h MET 9 CO 0.00 0.79 -0.23 0.93 1.06 0.00 0.00 176.91 179.46 2wv1 h GLU 10 N 0.15 -0.12 -0.72 1.72 5.08 -1.06 -0.04 114.58 119.59 2wv1 h GLU 10 Ca 0.04 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2wv1 h GLU 10 Cb 0.68 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2wv1 h GLU 10 CO 0.04 -0.08 0.45 -0.91 -1.00 0.00 0.00 179.01 177.51 2wv1 h ASN 11 N -0.12 0.85 -0.40 1.42 2.35 -1.18 -1.00 115.58 117.50 2wv1 h ASN 11 Ca 0.23 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2wv1 h ASN 11 Cb 0.48 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2wv1 h ASN 11 CO -0.57 0.65 0.25 0.40 -1.65 0.00 0.00 177.43 176.51 2wv1 h ILE 12 N 0.98 1.12 -0.58 2.81 2.04 -0.94 -1.16 117.51 121.78 2wv1 h ILE 12 Ca 0.26 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2wv1 h ILE 12 Cb -0.06 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2wv1 h ILE 12 CO -0.05 0.12 0.05 -0.07 0.00 0.00 0.00 178.15 178.20 2wv1 h LEU 13 N 0.53 0.92 -0.44 1.44 3.38 -0.70 0.60 115.31 121.04 2wv1 h LEU 13 Ca 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2wv1 h LEU 13 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2wv1 h LEU 13 CO -0.03 0.95 0.17 0.50 0.09 0.00 0.00 178.44 180.12 2wv1 h LYS 14 N 0.89 0.66 0.17 1.13 3.64 -1.01 -1.28 116.57 120.77 2wv1 h LYS 14 Ca 0.17 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2wv1 h LYS 14 Cb 0.45 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2wv1 h LYS 14 CO 0.02 0.61 -0.08 0.00 -2.27 0.00 0.00 179.45 177.73 2wv1 h ALA 15 N 1.02 -0.23 -0.29 5.00 0.00 -0.92 -2.23 119.26 121.61 2wv1 h ALA 15 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2wv1 h ALA 15 Cb 0.20 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2wv1 h ALA 15 CO -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 179.25 178.69 2wv1 h ALA 16 N 0.59 0.31 -0.05 0.00 0.00 -0.75 0.13 119.26 119.50 2wv1 h ALA 16 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2wv1 h ALA 16 Cb 0.18 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2wv1 h ALA 16 CO 0.04 -0.34 -0.26 -0.22 0.00 0.00 0.00 179.25 178.46 2wv1 h LYS 17 N 0.18 -0.37 0.17 0.00 3.64 -1.18 0.85 116.57 119.87 2wv1 h LYS 17 Ca 0.13 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2wv1 h LYS 17 Cb 0.13 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2wv1 h LYS 17 CO -0.16 -0.24 -0.27 -0.22 -2.27 0.00 0.00 179.45 176.28 2wv1 h LYS 18 N -0.38 -0.50 -0.16 1.90 3.64 -0.79 -1.02 116.57 119.25 2wv1 h LYS 18 Ca 0.08 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 2wv1 h LYS 18 Cb 0.49 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2wv1 h LYS 18 CO -0.26 -0.33 -0.50 0.87 -2.27 0.00 0.00 179.45 176.95 2wv1 h LYS 19 N -0.52 0.62 -0.49 1.90 1.79 -0.19 -2.46 116.57 117.22 2wv1 h LYS 19 Ca 0.02 -0.46 0.04 0.00 -2.18 0.00 0.00 60.65 58.07 2wv1 h LYS 19 Cb 0.52 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.21 2wv1 h LYS 19 CO -0.13 1.08 0.26 0.74 -1.08 0.00 0.00 179.45 180.31 2wv1 h PHE 20 N 0.29 0.47 -0.97 -1.35 0.04 0.69 -2.37 116.94 113.75 2wv1 h PHE 20 Ca -0.02 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.92 2wv1 h PHE 20 Cb 1.12 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 39.04 2wv1 h PHE 20 CO 0.10 0.24 0.58 0.78 -0.60 0.00 0.00 178.31 179.41 2wv1 h GLY 21 N 0.50 1.64 1.27 -1.45 0.00 -0.92 0.31 103.07 104.42 2wv1 h GLY 21 Ca 0.21 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 2wv1 h GLY 21 CO -0.14 0.05 -0.62 0.83 0.00 0.00 0.00 176.54 176.65 2wv1 h GLU 22 N 0.84 0.75 0.00 4.80 5.08 -0.97 -3.39 114.58 121.70 2wv1 h GLU 22 Ca 0.52 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wv1 h GLU 22 Cb 0.65 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2wv1 h GLU 22 CO -0.32 1.14 0.00 0.54 -1.00 0.00 0.00 179.01 179.37 2wv1 n ARG 23 N -3.96 0.88 0.00 2.33 5.12 -1.07 -5.13 116.66 114.83 2wv1 n ARG 23 Ca -0.05 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 2wv1 n ARG 23 Cb 0.66 -0.55 0.00 0.00 -1.16 0.00 0.00 32.46 31.41 2wv1 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wv1 n GLY 24 N 0.17 -1.50 0.24 -0.13 0.00 0.11 -3.36 105.19 100.72 2wv1 n GLY 24 Ca 0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 2wv1 n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wv1 h TYR 25 N 0.00 -0.52 -0.53 1.61 3.20 -1.92 -3.01 116.97 115.80 2wv1 h TYR 25 Ca 0.00 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 2wv1 h TYR 25 Cb 0.00 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2wv1 h TYR 25 CO 0.00 -0.29 -0.05 0.93 -1.64 0.00 0.00 178.16 177.11 2wv1 h GLU 26 N -0.39 0.97 -0.08 1.82 4.39 -1.97 -3.14 114.58 116.18 2wv1 h GLU 26 Ca 0.02 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2wv1 h GLU 26 Cb 0.40 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2wv1 h GLU 26 CO -0.10 1.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.16 2wv1 n GLY 27 N -0.33 -0.37 3.29 -3.84 0.00 -1.21 -4.72 105.19 98.01 2wv1 n GLY 27 Ca 0.01 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2wv1 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wv1 s THR 28 N -1.90 2.45 0.25 2.61 2.01 -1.14 -4.89 115.64 115.02 2wv1 s THR 28 Ca 0.30 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.49 2wv1 s THR 28 Cb 0.15 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 2wv1 s THR 28 CO 0.24 0.55 0.22 -0.94 -0.69 0.00 0.00 174.62 174.00 2wv1 s SER 29 N 0.27 5.62 0.38 3.53 1.04 -1.26 -4.92 113.70 118.36 2wv1 s SER 29 Ca -0.14 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.13 2wv1 s SER 29 Cb -0.17 -1.45 0.75 0.00 0.10 0.00 0.00 66.02 65.25 2wv1 s SER 29 CO 0.07 -0.06 2.00 -0.29 0.98 0.00 0.00 173.24 175.95 2wv1 h ILE 30 N 1.44 1.14 -0.27 -1.02 6.09 -1.99 -2.75 117.51 120.15 2wv1 h ILE 30 Ca -0.49 -0.37 0.06 0.00 -1.37 0.00 0.00 64.86 62.69 2wv1 h ILE 30 Cb 1.24 0.57 -0.07 0.00 0.47 0.00 0.00 36.82 39.03 2wv1 h ILE 30 CO 0.61 0.16 -0.17 1.56 -3.07 0.00 0.00 178.15 177.23 2wv1 h GLN 31 N 0.60 -0.15 -0.53 2.19 7.50 -1.95 0.28 115.11 123.06 2wv1 h GLN 31 Ca 0.15 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.33 2wv1 h GLN 31 Cb 0.04 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.57 2wv1 h GLN 31 CO -0.02 -0.10 0.33 0.93 -1.50 0.00 0.00 178.83 178.47 2wv1 h GLU 32 N -0.15 0.65 -0.14 1.46 5.08 -1.90 -0.49 114.58 119.09 2wv1 h GLU 32 Ca 0.14 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2wv1 h GLU 32 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2wv1 h GLU 32 CO -0.36 0.43 0.06 0.82 -1.00 0.00 0.00 179.01 178.96 2wv1 h ILE 33 N 0.67 1.15 -0.34 3.13 2.04 -1.27 -1.34 117.51 121.54 2wv1 h ILE 33 Ca 0.21 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2wv1 h ILE 33 Cb -0.02 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2wv1 h ILE 33 CO -0.07 0.14 0.12 0.00 0.00 0.00 0.00 178.15 178.33 2wv1 h ALA 34 N 0.91 0.40 -0.77 1.87 0.00 -0.75 0.12 119.26 121.04 2wv1 h ALA 34 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wv1 h ALA 34 Cb 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2wv1 h ALA 34 CO -0.00 -0.28 0.51 -0.22 0.00 0.00 0.00 179.25 179.25 2wv1 h LYS 35 N 0.26 0.99 -0.43 0.00 3.64 -1.05 0.19 116.57 120.17 2wv1 h LYS 35 Ca 0.16 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 2wv1 h LYS 35 Cb 0.13 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2wv1 h LYS 35 CO -0.16 0.65 -0.18 1.49 -2.27 0.00 0.00 179.45 178.98 2wv1 h GLU 36 N 1.01 0.88 -0.00 1.90 4.57 -0.40 -2.62 114.58 119.93 2wv1 h GLU 36 Ca 0.29 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2wv1 h GLU 36 Cb -0.08 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2wv1 h GLU 36 CO -0.07 1.02 0.00 0.00 -1.18 0.00 0.00 179.01 178.78 2wv1 n ALA 37 N -2.49 2.67 -3.96 2.92 0.00 0.33 -4.94 120.51 115.05 2wv1 n ALA 37 Ca -0.01 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 2wv1 n ALA 37 Cb 0.42 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.42 2wv1 n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wv1 n LYS 38 N -0.95 -0.62 -4.22 0.00 5.02 0.45 -4.87 118.16 112.97 2wv1 n LYS 38 Ca 0.22 0.19 -0.12 0.00 -2.02 0.00 0.00 58.31 56.58 2wv1 n LYS 38 Cb 0.10 -3.08 -0.10 0.00 -0.02 0.00 0.00 35.03 31.93 2wv1 n LYS 38 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wv1 s VAL 39 N -3.54 0.60 0.16 -0.18 -7.23 -0.04 -5.01 120.40 105.16 2wv1 s VAL 39 Ca 0.47 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 2wv1 s VAL 39 Cb -0.23 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 2wv1 s VAL 39 CO 0.94 -0.54 1.35 0.21 -0.31 0.00 0.00 175.10 176.75 2wv1 s ASN 40 N -3.13 6.85 0.15 4.85 3.84 -1.26 -4.32 114.94 121.91 2wv1 s ASN 40 Ca 0.22 2.38 -0.19 0.00 0.21 0.00 0.00 52.86 55.48 2wv1 s ASN 40 Cb 0.06 -2.60 0.03 0.00 -0.55 0.00 0.00 41.25 38.19 2wv1 s ASN 40 CO 0.02 -0.59 1.68 0.58 -2.79 0.00 0.00 177.10 176.00 2wv1 h VAL 41 N 3.97 0.66 -0.14 -5.21 2.07 -1.93 -0.32 116.25 115.36 2wv1 h VAL 41 Ca -0.44 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 2wv1 h VAL 41 Cb 1.21 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2wv1 h VAL 41 CO 0.82 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 178.13 2wv1 h ALA 42 N 1.21 1.27 0.27 1.67 0.00 -1.98 0.97 119.26 122.68 2wv1 h ALA 42 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2wv1 h ALA 42 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wv1 h ALA 42 CO -0.31 0.49 -0.13 1.98 0.00 0.00 0.00 179.25 181.28 2wv1 h MET 43 N 0.23 -0.35 -0.33 0.00 -1.53 -1.80 -1.11 114.93 110.04 2wv1 h MET 43 Ca 0.03 0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.39 2wv1 h MET 43 Cb 0.62 0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 31.67 2wv1 h MET 43 CO 0.04 -0.07 -0.21 0.00 0.14 0.00 0.00 176.91 176.81 2wv1 h ALA 44 N 0.03 0.01 -0.66 0.39 0.00 -0.56 0.13 119.26 118.60 2wv1 h ALA 44 Ca -0.04 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2wv1 h ALA 44 Cb 0.44 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2wv1 h ALA 44 CO 0.06 -0.60 0.37 1.03 0.00 0.00 0.00 179.25 180.11 2wv1 h SER 45 N -0.17 0.56 -0.50 0.00 0.87 -0.83 -2.64 113.55 110.84 2wv1 h SER 45 Ca 0.17 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 2wv1 h SER 45 Cb 0.43 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2wv1 h SER 45 CO -0.43 0.36 -0.00 0.22 -0.53 0.00 0.00 176.83 176.45 2wv1 h TYR 46 N 0.69 0.97 0.00 2.24 3.20 0.06 0.18 116.97 124.32 2wv1 h TYR 46 Ca 0.29 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2wv1 h TYR 46 Cb 0.17 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 2wv1 h TYR 46 CO -0.08 0.91 -0.11 1.88 -1.64 0.00 0.00 178.16 179.13 2wv1 h TYR 47 N 0.76 0.00 -0.23 -3.82 -1.99 -0.44 -2.50 116.97 108.75 2wv1 h TYR 47 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 2wv1 h TYR 47 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2wv1 h TYR 47 CO 0.04 0.11 0.00 1.19 -0.00 0.00 0.00 178.16 179.50 2wv1 n PHE 48 N -4.18 0.36 -4.19 4.88 3.01 -1.09 -5.00 117.46 111.25 2wv1 n PHE 48 Ca -0.03 -0.56 -0.31 0.00 1.01 0.00 0.00 57.45 57.57 2wv1 n PHE 48 Cb 0.19 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.54 2wv1 n PHE 48 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2wv1 n ASN 49 N 0.05 -0.50 0.00 4.37 5.15 0.04 -3.82 115.26 120.55 2wv1 n ASN 49 Ca 0.09 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 2wv1 n ASN 49 Cb 0.43 -2.32 0.00 0.00 -0.53 0.00 0.00 39.78 37.36 2wv1 n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wv1 n GLY 50 N -2.01 2.15 0.19 8.20 0.00 0.43 -4.47 105.19 109.68 2wv1 n GLY 50 Ca -0.21 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 2wv1 n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wv1 h LYS 51 N 0.00 0.49 -0.31 1.61 3.64 -1.87 -0.06 116.57 120.06 2wv1 h LYS 51 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wv1 h LYS 51 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2wv1 h LYS 51 CO 0.00 0.32 0.20 1.49 -2.27 0.00 0.00 179.45 179.19 2wv1 h GLU 52 N 0.50 0.42 -0.34 1.90 4.81 -1.92 0.48 114.58 120.43 2wv1 h GLU 52 Ca 0.20 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 2wv1 h GLU 52 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2wv1 h GLU 52 CO -0.12 0.29 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.23 2wv1 h ASN 53 N 0.42 0.77 -0.44 1.04 -0.26 -1.73 -2.01 115.58 113.37 2wv1 h ASN 53 Ca 0.11 -0.32 0.05 0.00 -0.56 0.00 0.00 56.30 55.59 2wv1 h ASN 53 Cb -0.03 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 36.97 2wv1 h ASN 53 CO -0.02 1.03 0.17 0.25 -1.06 0.00 0.00 177.43 177.80 2wv1 h LEU 54 N 0.63 0.21 -0.35 1.61 5.85 -0.69 0.00 115.31 122.57 2wv1 h LEU 54 Ca 0.07 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2wv1 h LEU 54 Cb 0.84 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2wv1 h LEU 54 CO 0.07 0.15 0.15 0.22 -0.34 0.00 0.00 178.44 178.70 2wv1 h TYR 55 N 0.36 0.28 -0.92 1.25 5.03 -0.55 -0.47 116.97 121.95 2wv1 h TYR 55 Ca 0.20 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.53 2wv1 h TYR 55 Cb 0.17 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.33 2wv1 h TYR 55 CO -0.14 0.14 0.59 1.88 -1.32 0.00 0.00 178.16 179.31 2wv1 h TYR 56 N 0.32 1.18 0.00 -3.82 0.05 -0.90 -2.12 116.97 111.68 2wv1 h TYR 56 Ca 0.15 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2wv1 h TYR 56 Cb 0.08 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 2wv1 h TYR 56 CO -0.11 0.76 -0.21 0.93 -1.05 0.00 0.00 178.16 178.48 2wv1 h GLU 57 N 1.25 0.00 -0.64 4.88 4.39 -0.27 0.07 114.58 124.26 2wv1 h GLU 57 Ca 0.33 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.06 2wv1 h GLU 57 Cb -0.11 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 2wv1 h GLU 57 CO -0.07 0.21 0.40 0.28 -1.16 0.00 0.00 179.01 178.67 2wv1 h VAL 58 N 0.00 1.09 -0.38 3.13 2.07 -0.42 0.24 116.25 121.98 2wv1 h VAL 58 Ca -0.00 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 2wv1 h VAL 58 Cb 0.37 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2wv1 h VAL 58 CO 0.03 0.14 -0.36 -0.26 0.02 0.00 0.00 177.57 177.14 2wv1 h PHE 59 N 0.79 1.06 -0.58 1.57 0.04 -1.14 0.05 116.94 118.73 2wv1 h PHE 59 Ca 0.25 -0.31 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2wv1 h PHE 59 Cb 0.01 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 2wv1 h PHE 59 CO -0.05 1.12 0.24 -0.22 -0.60 0.00 0.00 178.31 178.79 2wv1 h LYS 60 N 0.74 0.86 -0.06 1.51 3.64 -0.73 0.28 116.57 122.81 2wv1 h LYS 60 Ca 0.07 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 2wv1 h LYS 60 Cb 0.94 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2wv1 h LYS 60 CO 0.09 0.73 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.62 2wv1 h LYS 61 N 0.79 0.22 -0.02 1.90 1.63 -0.96 -3.39 116.57 116.75 2wv1 h LYS 61 Ca 0.19 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2wv1 h LYS 61 Cb 0.19 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2wv1 h LYS 61 CO -0.02 0.76 -0.06 0.66 -3.45 0.00 0.00 179.45 177.34 2wv1 n TYR 62 N -4.59 0.00 -0.28 1.91 4.01 0.00 -4.99 117.16 113.21 2wv1 n TYR 62 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2wv1 n TYR 62 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2wv1 n TYR 62 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wv1 n GLY 63 N 0.91 0.85 1.94 2.72 0.00 0.99 -4.93 105.19 107.68 2wv1 n GLY 63 Ca 0.08 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 2wv1 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wv1 n LEU 64 N 0.00 5.94 -0.09 0.99 7.99 -1.18 -4.51 117.00 126.14 2wv1 n LEU 64 Ca 0.00 -3.14 -0.08 0.00 -0.01 0.00 0.00 56.01 52.79 2wv1 n LEU 64 Cb 0.00 -0.72 -0.02 0.00 -0.11 0.00 0.00 43.42 42.57 2wv1 n LEU 64 CO 0.00 0.75 0.66 0.00 -1.51 0.00 0.00 177.39 177.29 2wv1 h ALA 65 N 3.07 -0.17 0.00 -1.18 0.00 -1.83 -3.41 119.26 115.74 2wv1 h ALA 65 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wv1 h ALA 65 Cb 2.21 0.64 0.00 0.00 0.00 0.00 0.00 17.79 20.64 2wv1 h ALA 65 CO 0.65 -0.71 0.00 0.09 0.00 0.00 0.00 179.25 179.28 2wv1 n ASN 66 N -5.41 0.00 -4.44 0.00 3.02 -1.26 -5.08 115.26 102.09 2wv1 n ASN 66 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 2wv1 n ASN 66 Cb 0.33 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.41 2wv1 n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wv1 s LEU 68 N 0.00 2.17 0.90 3.41 1.43 -1.26 -5.17 118.68 120.15 2wv1 s LEU 68 Ca 0.00 -1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 51.33 2wv1 s LEU 68 Cb 0.00 -0.43 0.13 0.00 0.03 0.00 0.00 46.19 45.92 2wv1 s LEU 68 CO 0.00 -0.87 1.12 -2.16 0.23 0.00 0.00 176.35 174.67 2wv1 s PRO 69 N -3.79 1.24 -0.57 1.29 0.04 -1.26 -4.97 135.00 126.98 2wv1 s PRO 69 Ca 0.16 0.40 -0.28 0.00 0.04 0.00 0.00 61.00 61.32 2wv1 s PRO 69 Cb 0.02 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2wv1 s PRO 69 CO 0.09 -2.15 1.30 1.21 0.04 0.00 0.00 177.00 177.50 2wv1 s ASN 70 N -3.92 6.29 0.20 6.66 3.84 -1.26 -4.90 114.94 121.85 2wv1 s ASN 70 Ca 0.63 0.20 -0.08 0.00 0.21 0.00 0.00 52.86 53.82 2wv1 s ASN 70 Cb -0.15 -2.55 0.13 0.00 -0.55 0.00 0.00 41.25 38.13 2wv1 s ASN 70 CO 0.54 -1.60 1.70 -0.26 -2.79 0.00 0.00 177.10 174.70 2wv1 h PHE 71 N 10.29 1.16 -0.00 0.43 0.04 -1.93 0.64 116.94 127.57 2wv1 h PHE 71 Ca -0.26 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.39 2wv1 h PHE 71 Cb 1.07 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.85 2wv1 h PHE 71 CO 1.04 0.97 -0.31 -0.07 -0.60 0.00 0.00 178.31 179.34 2wv1 h LEU 72 N 1.02 -0.91 -0.66 1.54 3.38 -1.90 -0.11 115.31 117.67 2wv1 h LEU 72 Ca 0.20 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2wv1 h LEU 72 Cb 0.43 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2wv1 h LEU 72 CO 0.01 -0.37 0.37 -0.08 0.09 0.00 0.00 178.44 178.46 2wv1 h GLU 73 N -0.45 0.92 0.00 1.13 4.81 -1.82 0.15 114.58 119.32 2wv1 h GLU 73 Ca 0.06 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2wv1 h GLU 73 Cb 0.54 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2wv1 h GLU 73 CO -0.26 0.69 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.37 2wv1 h LYS 74 N 0.91 0.00 -0.43 1.92 3.64 -0.71 -2.73 116.57 119.17 2wv1 h LYS 74 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2wv1 h LYS 74 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2wv1 h LYS 74 CO -0.04 0.11 0.00 0.09 -2.27 0.00 0.00 179.45 177.34 2wv1 n ASN 75 N -3.57 4.38 -1.52 4.20 3.02 -0.07 -4.94 115.26 116.76 2wv1 n ASN 75 Ca -0.02 -2.74 -0.14 0.00 -0.03 0.00 0.00 54.58 51.65 2wv1 n ASN 75 Cb 0.24 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 2wv1 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wv1 n GLN 76 N 0.24 -1.09 -2.76 3.52 1.13 -0.75 -2.16 117.38 115.50 2wv1 n GLN 76 Ca 0.23 0.72 -0.20 0.00 -1.94 0.00 0.00 57.00 55.80 2wv1 n GLN 76 Cb 0.90 -4.97 0.01 0.00 0.11 0.00 0.00 30.24 26.29 2wv1 n GLN 76 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2wv1 n PHE 77 N -3.83 -1.54 -2.94 1.08 3.72 0.41 -4.96 117.46 109.39 2wv1 n PHE 77 Ca -0.16 0.24 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 2wv1 n PHE 77 Cb 0.60 -3.71 -0.05 0.00 -0.94 0.00 0.00 39.48 35.38 2wv1 n PHE 77 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2wv1 s ASN 78 N -2.36 6.31 0.36 4.37 3.84 -0.92 -4.97 114.94 121.56 2wv1 s ASN 78 Ca 0.16 -0.52 0.06 0.00 0.21 0.00 0.00 52.86 52.77 2wv1 s ASN 78 Cb -0.08 -2.39 0.67 0.00 -0.55 0.00 0.00 41.25 38.91 2wv1 s ASN 78 CO 0.20 -1.11 1.91 -0.65 -2.79 0.00 0.00 177.10 174.66 2wv1 h PRO 79 N 9.20 0.48 -0.07 0.43 0.11 -1.90 -1.00 132.00 139.26 2wv1 h PRO 79 Ca -0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 2wv1 h PRO 79 Cb 1.08 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wv1 h PRO 79 CO 1.05 0.49 0.02 0.82 -0.21 0.00 0.00 178.00 180.17 2wv1 h ILE 80 N 0.47 1.18 -0.72 4.15 2.04 -1.93 0.38 117.51 123.08 2wv1 h ILE 80 Ca 0.10 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.47 2wv1 h ILE 80 Cb 0.28 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 2wv1 h ILE 80 CO 0.01 0.15 0.44 0.78 0.00 0.00 0.00 178.15 179.52 2wv1 h ASN 81 N -0.09 0.70 -0.34 1.72 4.21 -1.87 -1.21 115.58 118.70 2wv1 h ASN 81 Ca 0.02 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 2wv1 h ASN 81 Cb 0.22 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 2wv1 h ASN 81 CO -0.00 0.47 0.12 0.00 -1.29 0.00 0.00 177.43 176.73 2wv1 h ALA 82 N 1.33 0.45 -0.65 -0.83 0.00 -0.94 -1.67 119.26 116.95 2wv1 h ALA 82 Ca 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wv1 h ALA 82 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2wv1 h ALA 82 CO -0.13 0.07 0.23 1.25 0.00 0.00 0.00 179.25 180.67 2wv1 h LEU 83 N 0.41 0.89 -0.41 0.00 5.85 -0.70 0.12 115.31 121.47 2wv1 h LEU 83 Ca 0.11 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2wv1 h LEU 83 Cb 0.22 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2wv1 h LEU 83 CO -0.01 0.82 0.09 -0.09 -0.34 0.00 0.00 178.44 178.91 2wv1 h ARG 84 N 0.94 0.66 0.05 1.25 2.43 -0.99 0.47 114.38 119.19 2wv1 h ARG 84 Ca 0.22 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2wv1 h ARG 84 Cb 0.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2wv1 h ARG 84 CO -0.01 0.69 -0.03 1.49 -1.51 0.00 0.00 179.97 180.60 2wv1 h GLU 85 N 0.52 -0.07 -0.23 0.20 4.81 -1.05 0.03 114.58 118.79 2wv1 h GLU 85 Ca 0.13 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2wv1 h GLU 85 Cb 0.34 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 2wv1 h GLU 85 CO 0.00 0.19 -0.49 -0.92 -0.73 0.00 0.00 179.01 177.07 2wv1 h TYR 86 N -0.32 -1.43 -0.90 0.92 5.03 -0.59 0.38 116.97 120.05 2wv1 h TYR 86 Ca -0.01 0.06 0.07 0.00 2.58 0.00 0.00 58.73 61.44 2wv1 h TYR 86 Cb 0.29 0.66 -0.07 0.00 1.55 0.00 0.00 36.73 39.16 2wv1 h TYR 86 CO 0.01 -0.50 0.56 -0.07 -1.32 0.00 0.00 178.16 176.84 2wv1 h LEU 87 N -0.48 0.86 0.07 2.82 3.38 0.04 -1.40 115.31 120.61 2wv1 h LEU 87 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wv1 h LEU 87 Cb 0.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wv1 h LEU 87 CO -0.48 0.53 -0.03 0.74 0.09 0.00 0.00 178.44 179.29 2wv1 h THR 88 N 0.99 1.05 -0.57 0.22 2.02 -0.45 -0.52 112.91 115.64 2wv1 h THR 88 Ca 0.40 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2wv1 h THR 88 Cb 0.23 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 2wv1 h THR 88 CO -0.19 0.10 0.29 0.58 0.37 0.00 0.00 175.52 176.66 2wv1 h VAL 89 N -0.28 0.93 -0.10 3.16 2.07 -0.73 -1.11 116.25 120.20 2wv1 h VAL 89 Ca -0.01 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2wv1 h VAL 89 Cb 0.24 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2wv1 h VAL 89 CO 0.02 0.10 -0.13 0.15 0.02 0.00 0.00 177.57 177.72 2wv1 h PHE 90 N 0.54 0.32 -0.71 1.57 3.04 -1.11 -1.90 116.94 118.70 2wv1 h PHE 90 Ca 0.26 -0.11 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 2wv1 h PHE 90 Cb 0.19 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 2wv1 h PHE 90 CO -0.11 0.72 0.17 1.79 -2.02 0.00 0.00 178.31 178.87 2wv1 h THR 91 N -0.17 1.26 -0.89 4.41 1.35 -1.04 -1.27 112.91 116.56 2wv1 h THR 91 Ca 0.01 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 2wv1 h THR 91 Cb 0.68 0.53 -0.04 0.00 -1.73 0.00 0.00 68.15 67.59 2wv1 h THR 91 CO 0.03 0.37 0.47 0.74 -0.25 0.00 0.00 175.52 176.89 2wv1 h THR 92 N 1.07 1.26 -0.60 6.82 2.02 -1.19 0.39 112.91 122.68 2wv1 h THR 92 Ca 0.22 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 2wv1 h THR 92 Cb 0.37 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2wv1 h THR 92 CO 0.00 0.30 0.02 -0.74 0.37 0.00 0.00 175.52 175.47 2wv1 h HIS 93 N 1.25 1.13 -0.27 3.16 6.17 -0.69 -1.17 115.15 124.73 2wv1 h HIS 93 Ca 0.31 -0.19 -0.11 0.00 0.71 0.00 0.00 60.37 61.09 2wv1 h HIS 93 Cb 0.05 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.67 2wv1 h HIS 93 CO 0.01 0.99 -0.29 0.82 0.71 0.00 0.00 177.93 180.17 2wv1 h ILE 94 N 0.94 1.28 -0.36 6.26 1.08 -0.89 0.79 117.51 126.60 2wv1 h ILE 94 Ca 0.17 -1.38 -0.06 0.00 -0.39 0.00 0.00 64.86 63.20 2wv1 h ILE 94 Cb 0.53 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 2wv1 h ILE 94 CO 0.03 0.44 -0.04 0.50 -0.69 0.00 0.00 178.15 178.39 2wv1 h LYS 95 N 0.48 0.59 0.00 2.37 3.64 -0.55 -1.09 116.57 122.01 2wv1 h LYS 95 Ca 0.06 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2wv1 h LYS 95 Cb 0.75 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2wv1 h LYS 95 CO 0.06 0.64 -0.73 0.39 -2.27 0.00 0.00 179.45 177.55 2wv1 n GLU 96 N -4.24 0.10 -3.10 1.90 1.02 -0.48 -4.33 120.64 111.52 2wv1 n GLU 96 Ca 0.01 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 2wv1 n GLU 96 Cb 0.29 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 2wv1 n GLU 96 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2wv1 n ASN 97 N -1.67 0.13 0.28 1.62 3.02 0.25 -4.99 115.26 113.91 2wv1 n ASN 97 Ca 0.04 -3.11 0.18 0.00 -0.03 0.00 0.00 54.58 51.67 2wv1 n ASN 97 Cb 0.37 -0.12 0.97 0.00 -0.61 0.00 0.00 39.78 40.38 2wv1 n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2wv1 h PRO 98 N 3.12 0.00 -0.30 3.52 0.13 -1.40 -1.73 132.00 135.34 2wv1 h PRO 98 Ca 0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2wv1 h PRO 98 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 2wv1 h PRO 98 CO 0.43 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.09 2wv1 h GLU 99 N 0.00 0.47 0.26 0.86 3.07 -1.93 -2.28 114.58 115.04 2wv1 h GLU 99 Ca 0.03 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2wv1 h GLU 99 Cb 0.26 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2wv1 h GLU 99 CO -0.00 0.53 -0.29 0.82 -1.40 0.00 0.00 179.01 178.66 2wv1 h ILE 100 N 0.45 0.38 0.05 3.13 1.08 -1.67 0.39 117.51 121.32 2wv1 h ILE 100 Ca 0.10 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 2wv1 h ILE 100 Cb 0.35 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.43 2wv1 h ILE 100 CO 0.01 0.00 -0.41 1.23 -0.69 0.00 0.00 178.15 178.29 2wv1 h GLY 101 N -0.59 -0.78 2.00 5.37 0.00 -1.67 -0.29 103.07 107.11 2wv1 h GLY 101 Ca -0.00 0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.72 2wv1 h GLY 101 CO -0.08 -0.25 -0.47 -0.91 0.00 0.00 0.00 176.54 174.82 2wv1 h THR 102 N -0.60 1.29 0.01 4.70 1.35 -1.25 -2.25 112.91 116.17 2wv1 h THR 102 Ca 0.04 -1.63 -0.25 0.00 -0.55 0.00 0.00 66.41 64.02 2wv1 h THR 102 Cb 0.65 1.89 0.01 0.00 -1.73 0.00 0.00 68.15 68.98 2wv1 h THR 102 CO -0.28 0.46 -1.01 -0.07 -0.25 0.00 0.00 175.52 174.37 2wv1 h LEU 103 N 0.00 0.70 -1.50 3.87 3.38 -0.79 -2.93 115.31 118.03 2wv1 h LEU 103 Ca -0.00 -0.57 0.31 0.00 0.09 0.00 0.00 57.88 57.71 2wv1 h LEU 103 Cb 0.85 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 2wv1 h LEU 103 CO 0.06 1.37 0.74 0.00 0.09 0.00 0.00 178.44 180.70 2wv1 h ALA 104 N 0.58 2.50 0.29 1.53 0.00 -0.43 -2.85 119.26 120.88 2wv1 h ALA 104 Ca -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wv1 h ALA 104 Cb 1.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2wv1 h ALA 104 CO 0.19 -0.93 -0.14 1.88 0.00 0.00 0.00 179.25 180.25 2wv1 h TYR 105 N 0.26 -0.36 -1.66 0.00 0.05 -1.41 0.33 116.97 114.19 2wv1 h TYR 105 Ca 0.63 -0.01 0.48 0.00 0.05 0.00 0.00 58.73 59.88 2wv1 h TYR 105 Cb 1.85 0.12 -0.07 0.00 1.01 0.00 0.00 36.73 39.64 2wv1 h TYR 105 CO -0.00 -0.22 1.25 -1.91 -1.05 0.00 0.00 178.16 176.22 2wv1 n GLU 106 N -4.82 0.00 -0.07 4.88 2.13 -1.09 -0.80 120.64 120.87 2wv1 n GLU 106 Ca -0.05 0.95 -0.18 0.00 0.66 0.00 0.00 57.16 58.54 2wv1 n GLU 106 Cb 0.15 -2.22 -0.13 0.00 0.27 0.00 0.00 31.44 29.51 2wv1 n GLU 106 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2wv1 n GLU 107 N -3.62 0.69 0.24 5.31 -0.58 -1.11 -2.04 120.64 119.53 2wv1 n GLU 107 Ca 0.37 0.19 0.18 0.00 -0.42 0.00 0.00 57.16 57.48 2wv1 n GLU 107 Cb 1.75 -1.61 0.88 0.00 -0.57 0.00 0.00 31.44 31.89 2wv1 n GLU 107 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2wv1 h ILE 108 N 0.03 0.31 0.01 -3.67 2.04 0.18 -2.13 117.51 114.27 2wv1 h ILE 108 Ca -0.50 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.08 2wv1 h ILE 108 Cb 1.98 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 2wv1 h ILE 108 CO -0.01 0.00 -1.49 -0.38 0.00 0.00 0.00 178.15 176.28 2wv1 n ILE 109 N -3.52 1.56 0.17 -0.67 -0.00 -0.73 -3.98 119.36 112.20 2wv1 n ILE 109 Ca 0.01 -0.14 0.04 0.00 -0.00 0.00 0.00 62.75 62.66 2wv1 n ILE 109 Cb 0.32 -1.99 0.20 0.00 -0.00 0.00 0.00 39.64 38.18 2wv1 n ILE 109 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2wv1 n LYS 110 N -4.29 0.04 -4.10 0.38 4.81 -0.87 -4.84 118.16 109.29 2wv1 n LYS 110 Ca -0.35 0.46 -0.32 0.00 -0.87 0.00 0.00 58.31 57.23 2wv1 n LYS 110 Cb 0.75 -1.60 -0.06 0.00 0.02 0.00 0.00 35.03 34.14 2wv1 n LYS 110 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wv1 n GLU 111 N -1.68 -0.74 -1.77 1.64 1.02 -0.81 -4.85 120.64 113.46 2wv1 n GLU 111 Ca 0.01 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.91 2wv1 n GLU 111 Cb 0.06 -2.82 0.10 0.00 -0.02 0.00 0.00 31.44 28.76 2wv1 n GLU 111 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wv1 s SER 112 N -4.06 4.19 0.59 1.62 1.04 -1.24 -4.92 113.70 110.91 2wv1 s SER 112 Ca 0.14 0.86 0.30 0.00 0.48 0.00 0.00 55.95 57.72 2wv1 s SER 112 Cb -0.08 -1.39 1.80 0.00 0.10 0.00 0.00 66.02 66.45 2wv1 s SER 112 CO 0.88 -2.12 2.23 0.00 0.98 0.00 0.00 173.24 175.22 2wv1 h ALA 113 N -1.20 1.57 -0.05 5.32 0.00 -1.97 -2.93 119.26 120.02 2wv1 h ALA 113 Ca -0.48 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 2wv1 h ALA 113 Cb 1.33 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2wv1 h ALA 113 CO 0.64 -0.05 -0.89 0.00 0.00 0.00 0.00 179.25 178.96 2wv1 h ARG 114 N 0.00 0.54 -0.43 0.00 3.08 -1.96 -3.30 114.38 112.32 2wv1 h ARG 114 Ca 0.02 -0.52 0.09 0.00 0.07 0.00 0.00 59.98 59.63 2wv1 h ARG 114 Cb 0.09 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 2wv1 h ARG 114 CO -0.00 1.15 -0.29 1.25 -1.07 0.00 0.00 179.97 181.01 2wv1 h LEU 115 N 0.33 -0.96 -1.07 3.04 5.85 -1.80 -0.75 115.31 119.96 2wv1 h LEU 115 Ca -0.07 0.19 0.22 0.00 0.84 0.00 0.00 57.88 59.06 2wv1 h LEU 115 Cb 1.51 0.47 -0.11 0.00 0.37 0.00 0.00 40.66 42.90 2wv1 h LEU 115 CO 0.16 -0.29 0.61 -0.33 -0.34 0.00 0.00 178.44 178.25 2wv1 h GLU 116 N -0.20 0.61 0.00 1.25 4.39 -1.71 0.66 114.58 119.59 2wv1 h GLU 116 Ca 0.19 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2wv1 h GLU 116 Cb 0.51 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2wv1 h GLU 116 CO -0.54 0.40 -0.73 0.87 -1.16 0.00 0.00 179.01 177.85 2wv1 h LYS 117 N 0.63 0.00 0.00 2.33 1.57 -1.42 -3.32 116.57 116.35 2wv1 h LYS 117 Ca 0.61 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.15 2wv1 h LYS 117 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 2wv1 h LYS 117 CO -0.41 0.00 -1.47 -0.84 -0.57 0.00 0.00 179.45 176.16 2wv1 h ILE 118 N 0.00 0.83 -0.90 1.86 3.07 0.12 -3.39 117.51 119.09 2wv1 h ILE 118 Ca 0.00 -2.53 0.12 0.00 1.55 0.00 0.00 64.86 64.00 2wv1 h ILE 118 Cb 0.94 2.34 -0.13 0.00 -0.27 0.00 0.00 36.82 39.70 2wv1 h ILE 118 CO 0.00 0.47 -0.43 0.29 -1.05 0.00 0.00 178.15 177.44 2wv1 n LYS 119 N -3.04 -0.29 0.05 0.16 5.02 0.10 -0.91 118.16 119.26 2wv1 n LYS 119 Ca -0.12 1.38 0.01 0.00 -2.02 0.00 0.00 58.31 57.56 2wv1 n LYS 119 Cb 0.95 -2.04 0.05 0.00 -0.02 0.00 0.00 35.03 33.98 2wv1 n LYS 119 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wv1 n PRO 120 N -5.25 0.02 -0.94 1.97 -0.02 -1.26 0.96 135.00 130.48 2wv1 n PRO 120 Ca 0.06 0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 2wv1 n PRO 120 Cb 0.31 -1.97 0.35 0.00 -0.02 0.00 0.00 33.50 32.17 2wv1 n PRO 120 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wv1 n TYR 121 N -1.37 2.19 0.00 6.00 4.01 -0.09 -4.42 117.16 123.48 2wv1 n TYR 121 Ca -0.00 -0.98 0.00 0.00 -0.16 0.00 0.00 57.90 56.76 2wv1 n TYR 121 Cb 0.42 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 2wv1 n TYR 121 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2wv1 n PHE 122 N 0.16 0.00 -0.33 -0.72 3.72 0.27 -3.11 117.46 117.46 2wv1 n PHE 122 Ca 0.34 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 58.00 2wv1 n PHE 122 Cb 1.27 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 40.31 2wv1 n PHE 122 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2wv1 h ILE 123 N 0.00 0.11 -0.39 4.37 2.04 -1.66 -1.46 117.51 120.52 2wv1 h ILE 123 Ca 0.00 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2wv1 h ILE 123 Cb 0.00 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 2wv1 h ILE 123 CO 0.00 0.02 -0.07 1.23 0.00 0.00 0.00 178.15 179.33 2wv1 h GLY 124 N 0.11 0.79 1.16 5.37 0.00 -1.86 -2.24 103.07 106.39 2wv1 h GLY 124 Ca 0.76 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2wv1 h GLY 124 CO -0.73 0.59 0.23 1.48 0.00 0.00 0.00 176.54 178.10 2wv1 h SER 125 N 0.54 0.99 -0.12 0.19 4.64 -1.61 -3.16 113.55 115.01 2wv1 h SER 125 Ca 0.10 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.14 2wv1 h SER 125 Cb 0.58 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2wv1 h SER 125 CO 0.03 0.91 -0.26 -0.26 -0.87 0.00 0.00 176.83 176.38 2wv1 h PHE 126 N 1.03 0.66 0.00 4.77 0.04 -0.87 0.08 116.94 122.64 2wv1 h PHE 126 Ca 0.23 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 2wv1 h PHE 126 Cb 0.27 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2wv1 h PHE 126 CO 0.02 0.79 -0.57 0.93 -0.60 0.00 0.00 178.31 178.88 2wv1 h GLU 127 N 0.50 0.00 -0.18 1.51 5.08 -1.46 -0.38 114.58 119.66 2wv1 h GLU 127 Ca 0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2wv1 h GLU 127 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2wv1 h GLU 127 CO 0.06 0.57 -0.21 0.37 -1.00 0.00 0.00 179.01 178.79 2wv1 h GLN 128 N 0.00 0.46 -0.20 2.33 4.15 -1.40 -1.18 115.11 119.27 2wv1 h GLN 128 Ca -0.01 -0.25 0.05 0.00 0.77 0.00 0.00 58.65 59.21 2wv1 h GLN 128 Cb 1.02 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.67 2wv1 h GLN 128 CO 0.07 0.83 -0.20 1.25 -1.93 0.00 0.00 178.83 178.85 2wv1 h LEU 129 N 0.10 -0.65 -0.72 -2.39 5.85 -0.82 -0.21 115.31 116.47 2wv1 h LEU 129 Ca 0.02 0.12 0.14 0.00 0.84 0.00 0.00 57.88 59.00 2wv1 h LEU 129 Cb 0.77 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 42.01 2wv1 h LEU 129 CO 0.05 -0.25 0.26 0.50 -0.34 0.00 0.00 178.44 178.67 2wv1 h LYS 130 N -0.23 0.39 -0.34 1.25 3.64 -1.02 -0.07 116.57 120.20 2wv1 h LYS 130 Ca 0.12 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2wv1 h LYS 130 Cb 0.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2wv1 h LYS 130 CO -0.33 0.26 -0.15 0.93 -2.27 0.00 0.00 179.45 177.89 2wv1 h GLU 131 N 0.40 0.70 -0.49 1.90 5.08 -0.42 -0.25 114.58 121.50 2wv1 h GLU 131 Ca 0.39 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2wv1 h GLU 131 Cb 0.60 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2wv1 h GLU 131 CO -0.41 0.90 0.30 0.82 -1.00 0.00 0.00 179.01 179.62 2wv1 h ILE 132 N 0.47 1.07 -0.32 3.13 2.04 -0.66 0.14 117.51 123.38 2wv1 h ILE 132 Ca 0.08 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2wv1 h ILE 132 Cb 0.68 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2wv1 h ILE 132 CO 0.05 0.11 0.02 -0.07 0.00 0.00 0.00 178.15 178.26 2wv1 h LEU 133 N 0.60 0.53 -0.68 1.44 3.38 -0.65 -0.65 115.31 119.29 2wv1 h LEU 133 Ca 0.19 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2wv1 h LEU 133 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2wv1 h LEU 133 CO -0.08 0.69 -0.25 1.56 0.09 0.00 0.00 178.44 180.45 2wv1 h GLN 134 N 0.36 0.75 -0.43 1.13 4.20 -0.88 -0.30 115.11 119.94 2wv1 h GLN 134 Ca 0.09 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2wv1 h GLN 134 Cb 0.40 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2wv1 h GLN 134 CO 0.01 0.93 0.23 1.49 -0.67 0.00 0.00 178.83 180.82 2wv1 h GLU 135 N 0.65 0.61 -0.95 1.46 4.57 -0.78 0.78 114.58 120.92 2wv1 h GLU 135 Ca 0.09 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2wv1 h GLU 135 Cb 0.76 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.19 2wv1 h GLU 135 CO 0.06 0.50 0.59 0.78 -1.18 0.00 0.00 179.01 179.75 2wv1 h GLY 136 N 0.56 1.36 0.83 1.92 0.00 -0.75 0.22 103.07 107.22 2wv1 h GLY 136 Ca 0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 2wv1 h GLY 136 CO -0.02 0.54 -0.08 -2.09 0.00 0.00 0.00 176.54 174.89 2wv1 h GLU 137 N 1.30 0.46 -0.99 4.80 4.81 -0.75 0.12 114.58 124.33 2wv1 h GLU 137 Ca 0.34 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2wv1 h GLU 137 Cb -0.08 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 2wv1 h GLU 137 CO -0.07 0.71 0.65 -0.22 -0.73 0.00 0.00 179.01 179.35 2wv1 h LYS 138 N 0.19 1.23 0.00 1.92 3.64 -0.56 0.71 116.57 123.69 2wv1 h LYS 138 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wv1 h LYS 138 Cb 0.55 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wv1 h LYS 138 CO 0.03 0.81 0.00 1.04 -2.27 0.00 0.00 179.45 179.06 2wv1 n GLN 139 N -4.45 0.42 -1.04 1.90 6.02 0.04 -4.90 117.38 115.38 2wv1 n GLN 139 Ca 0.13 0.03 -0.01 0.00 -0.01 0.00 0.00 57.00 57.14 2wv1 n GLN 139 Cb 0.08 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 2wv1 n GLN 139 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wv1 n GLY 140 N 0.98 0.50 0.02 1.08 0.00 0.24 -4.93 105.19 103.08 2wv1 n GLY 140 Ca 0.13 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.62 2wv1 n GLY 140 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wv1 n VAL 141 N -2.93 0.10 -4.30 1.61 0.24 0.35 -4.92 118.33 108.49 2wv1 n VAL 141 Ca -0.01 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.34 61.64 2wv1 n VAL 141 Cb 0.06 0.19 -0.11 0.00 -1.47 0.00 0.00 33.84 32.51 2wv1 n VAL 141 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2wv1 s PHE 142 N -3.34 2.57 -0.04 6.34 0.08 -0.94 -4.39 117.98 118.26 2wv1 s PHE 142 Ca -0.02 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 2wv1 s PHE 142 Cb 0.14 -1.33 0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2wv1 s PHE 142 CO 0.87 0.43 0.07 -1.01 -0.10 0.00 0.00 175.22 175.47 2wv1 s HIS 143 N -1.32 -0.00 0.14 0.36 3.76 0.12 -4.28 115.29 114.07 2wv1 s HIS 143 Ca 0.20 0.26 -0.18 0.00 -0.15 0.00 0.00 55.06 55.20 2wv1 s HIS 143 Cb -0.10 -0.30 0.04 0.00 1.11 0.00 0.00 32.58 33.33 2wv1 s HIS 143 CO 0.12 -0.15 0.45 -0.59 -0.85 0.00 0.00 174.74 173.72 2wv1 s PHE 144 N 1.57 -0.28 0.07 1.40 -0.71 -1.26 -4.71 117.98 114.06 2wv1 s PHE 144 Ca -0.03 -0.02 -0.36 0.00 -1.04 0.00 0.00 56.93 55.48 2wv1 s PHE 144 Cb -0.12 0.34 -0.19 0.00 -1.21 0.00 0.00 43.02 41.84 2wv1 s PHE 144 CO -0.04 -0.75 1.55 0.35 -1.34 0.00 0.00 175.22 174.99 2wv1 h PHE 145 N 2.27 -1.31 -3.21 3.49 3.04 -2.00 -3.47 116.94 115.75 2wv1 h PHE 145 Ca -0.34 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.55 2wv1 h PHE 145 Cb 1.27 0.47 -0.14 0.00 2.56 0.00 0.00 35.95 40.12 2wv1 h PHE 145 CO 0.30 -0.72 -0.02 -1.54 -2.02 0.00 0.00 178.31 174.32 2wv1 s SER 146 N -4.12 -0.32 0.17 0.41 1.04 -1.26 -5.06 113.70 104.57 2wv1 s SER 146 Ca -0.18 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 55.99 2wv1 s SER 146 Cb 0.03 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.68 2wv1 s SER 146 CO 0.58 -0.83 1.54 -0.29 0.98 0.00 0.00 173.24 175.22 2wv1 h ILE 147 N 2.43 1.27 -0.42 -1.02 6.09 -1.99 -1.96 117.51 121.91 2wv1 h ILE 147 Ca -0.33 -1.45 -0.01 0.00 -1.37 0.00 0.00 64.86 61.69 2wv1 h ILE 147 Cb 1.25 1.26 -0.02 0.00 0.47 0.00 0.00 36.82 39.78 2wv1 h ILE 147 CO 0.44 0.49 0.23 -1.13 -3.07 0.00 0.00 178.15 175.11 2wv1 h ASN 148 N 0.76 0.54 -0.22 2.19 -0.73 -1.98 0.15 115.58 116.28 2wv1 h ASN 148 Ca 0.09 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2wv1 h ASN 148 Cb 0.86 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 2wv1 h ASN 148 CO 0.08 0.48 0.15 -0.74 -0.37 0.00 0.00 177.43 177.02 2wv1 h HIS 149 N 0.55 0.28 -0.25 0.67 2.76 -1.95 -0.89 115.15 116.31 2wv1 h HIS 149 Ca 0.15 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2wv1 h HIS 149 Cb 0.07 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2wv1 h HIS 149 CO -0.02 0.19 0.07 1.15 -1.30 0.00 0.00 177.93 178.01 2wv1 h THR 150 N 0.30 1.21 -0.51 6.26 2.02 -0.95 -1.88 112.91 119.35 2wv1 h THR 150 Ca 0.08 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 2wv1 h THR 150 Cb -0.02 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2wv1 h THR 150 CO -0.02 0.22 0.05 0.40 0.37 0.00 0.00 175.52 176.54 2wv1 h ILE 151 N 0.23 1.24 0.40 3.11 2.04 -0.67 -1.84 117.51 122.03 2wv1 h ILE 151 Ca 0.08 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2wv1 h ILE 151 Cb 0.27 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2wv1 h ILE 151 CO -0.00 0.34 -0.37 -0.74 0.00 0.00 0.00 178.15 177.38 2wv1 h HIS 152 N 0.79 -1.00 -0.21 1.37 2.76 -0.73 -0.39 115.15 117.74 2wv1 h HIS 152 Ca 0.16 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.20 2wv1 h HIS 152 Cb 0.40 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 2wv1 h HIS 152 CO 0.02 -0.52 -0.42 0.11 -1.30 0.00 0.00 177.93 175.81 2wv1 h TRP 153 N -0.79 0.59 0.19 5.26 5.08 -1.27 -1.58 115.95 123.44 2wv1 h TRP 153 Ca -0.03 -0.18 -0.01 0.00 1.08 0.00 0.00 58.89 59.75 2wv1 h TRP 153 Cb 0.69 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 2wv1 h TRP 153 CO -0.19 0.84 -0.09 0.82 -1.28 0.00 0.00 178.44 178.54 2wv1 h ILE 154 N 0.41 0.91 0.00 0.12 2.04 -1.27 -2.59 117.51 117.13 2wv1 h ILE 154 Ca 0.03 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2wv1 h ILE 154 Cb 0.91 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2wv1 h ILE 154 CO 0.08 0.11 -0.05 0.71 0.00 0.00 0.00 178.15 179.00 2wv1 h THR 155 N -0.50 0.23 -0.18 -0.27 1.35 -1.05 -1.54 112.91 110.95 2wv1 h THR 155 Ca -0.03 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 2wv1 h THR 155 Cb 0.38 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2wv1 h THR 155 CO 0.04 0.05 0.06 0.28 -0.25 0.00 0.00 175.52 175.70 2wv1 h SER 156 N 0.00 0.26 -0.50 5.36 0.02 -1.01 -0.41 113.55 117.27 2wv1 h SER 156 Ca -0.00 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2wv1 h SER 156 Cb 0.28 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2wv1 h SER 156 CO 0.01 0.37 0.04 0.40 -1.14 0.00 0.00 176.83 176.51 2wv1 h ILE 157 N 0.13 1.26 0.06 3.27 2.04 -0.94 -1.29 117.51 122.03 2wv1 h ILE 157 Ca 0.06 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 2wv1 h ILE 157 Cb 0.20 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2wv1 h ILE 157 CO -0.00 0.36 -0.03 0.58 0.00 0.00 0.00 178.15 179.06 2wv1 h VAL 158 N 0.73 1.14 0.00 1.67 2.07 -1.26 -1.80 116.25 118.80 2wv1 h VAL 158 Ca 0.15 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2wv1 h VAL 158 Cb 0.47 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2wv1 h VAL 158 CO 0.02 0.17 -0.25 -0.07 0.02 0.00 0.00 177.57 177.46 2wv1 h LEU 159 N -0.38 0.00 -5.18 2.57 3.38 -1.13 -3.38 115.31 111.19 2wv1 h LEU 159 Ca -0.01 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2wv1 h LEU 159 Cb 0.34 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.68 2wv1 h LEU 159 CO 0.01 0.12 -1.05 0.33 0.09 0.00 0.00 178.44 177.94 2wv1 n PHE 160 N -3.08 1.65 -0.06 1.13 7.35 -0.49 -4.45 117.46 119.51 2wv1 n PHE 160 Ca 0.03 -3.23 0.24 0.00 -0.76 0.00 0.00 57.45 53.73 2wv1 n PHE 160 Cb 0.58 -0.34 0.71 0.00 0.35 0.00 0.00 39.48 40.78 2wv1 n PHE 160 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2wv1 h PRO 161 N 2.92 0.00 0.00 -7.13 0.13 -1.50 -2.08 132.00 124.34 2wv1 h PRO 161 Ca 0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 2wv1 h PRO 161 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2wv1 h PRO 161 CO 0.60 0.00 -0.35 0.87 -0.23 0.00 0.00 178.00 178.89 2wv1 h LYS 162 N 0.00 0.00 -0.15 0.86 1.57 -1.91 -1.91 116.57 115.03 2wv1 h LYS 162 Ca 0.32 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.89 2wv1 h LYS 162 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.62 2wv1 h LYS 162 CO -0.00 0.35 -0.73 0.35 -0.57 0.00 0.00 179.45 178.84 2wv1 h PHE 163 N 0.00 0.95 -0.30 -1.35 3.57 -1.75 -1.37 116.94 116.68 2wv1 h PHE 163 Ca -0.00 -0.40 0.03 0.00 3.53 0.00 0.00 57.97 61.12 2wv1 h PHE 163 Cb 0.70 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2wv1 h PHE 163 CO 0.00 1.22 0.10 -0.22 -2.23 0.00 0.00 178.31 177.18 2wv1 h LYS 164 N 0.49 0.23 -0.68 1.11 1.63 -1.47 -0.40 116.57 117.48 2wv1 h LYS 164 Ca -0.04 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2wv1 h LYS 164 Cb 1.34 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.89 2wv1 h LYS 164 CO 0.15 0.15 0.38 0.87 -3.45 0.00 0.00 179.45 177.54 2wv1 h LYS 165 N 0.24 0.93 -0.31 1.90 1.57 -1.29 -0.51 116.57 119.10 2wv1 h LYS 165 Ca 0.13 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2wv1 h LYS 165 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2wv1 h LYS 165 CO -0.13 0.68 0.13 0.35 -0.57 0.00 0.00 179.45 179.90 2wv1 h PHE 166 N 0.94 0.46 -0.54 -1.35 3.04 -0.44 -0.51 116.94 118.54 2wv1 h PHE 166 Ca 0.24 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 2wv1 h PHE 166 Cb 0.01 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 2wv1 h PHE 166 CO 0.01 0.44 0.01 0.82 -2.02 0.00 0.00 178.31 177.57 2wv1 h ILE 167 N 0.35 1.26 -0.64 1.41 1.08 -0.98 -2.52 117.51 117.48 2wv1 h ILE 167 Ca 0.10 -1.08 0.12 0.00 -0.39 0.00 0.00 64.86 63.61 2wv1 h ILE 167 Cb 0.17 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 2wv1 h ILE 167 CO -0.01 0.39 0.43 0.44 -0.69 0.00 0.00 178.15 178.71 2wv1 h ASP 168 N 0.82 0.33 1.17 1.72 3.32 -0.75 0.35 116.42 123.38 2wv1 h ASP 168 Ca 0.15 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2wv1 h ASP 168 Cb 0.51 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2wv1 h ASP 168 CO 0.02 0.19 -0.14 1.23 -1.72 0.00 0.00 179.24 178.82 2wv1 h GLY 169 N 0.36 0.00 0.00 2.75 0.00 -0.66 -3.28 103.07 102.25 2wv1 h GLY 169 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.50 2wv1 h GLY 169 CO -0.08 0.00 -2.09 1.04 0.00 0.00 0.00 176.54 175.41 2wv1 n LEU 170 N -3.23 0.00 -3.82 3.11 4.77 0.10 -4.90 117.00 113.01 2wv1 n LEU 170 Ca 0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 2wv1 n LEU 170 Cb 0.43 0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 2wv1 n LEU 170 CO 0.32 0.18 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.48 2wv1 s VAL 171 N -3.06 0.99 -0.14 4.08 1.01 1.00 -5.11 120.40 119.17 2wv1 s VAL 171 Ca -0.08 -0.90 -0.41 0.00 0.00 0.00 0.00 61.98 60.58 2wv1 s VAL 171 Cb 0.10 -1.40 -0.19 0.00 0.00 0.00 0.00 36.38 34.88 2wv1 s VAL 171 CO 0.83 -0.19 1.28 -2.65 0.00 0.00 0.00 175.10 174.37 2wv1 n PRO 172 N 4.87 0.19 -0.92 2.72 -0.02 -1.26 -4.51 135.00 136.06 2wv1 n PRO 172 Ca -0.10 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.53 2wv1 n PRO 172 Cb 0.45 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 2wv1 n PRO 172 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wv1 n SER 184 N 2.49 -3.49 0.00 2.55 3.41 -1.26 -5.11 113.62 112.21 2wv1 n SER 184 Ca 0.23 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2wv1 n SER 184 Cb 0.06 -3.05 0.00 0.00 -0.26 0.00 0.00 64.21 60.96 2wv1 n SER 184 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wv1 n GLY 185 N -3.57 0.85 3.65 5.00 0.00 -1.26 -4.98 105.19 104.88 2wv1 n GLY 185 Ca -0.04 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 2wv1 n GLY 185 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wv1 s ASP 186 N -0.68 6.22 0.19 1.61 -1.08 -1.26 -4.98 116.67 116.69 2wv1 s ASP 186 Ca 0.00 0.24 -0.15 0.00 -0.52 0.00 0.00 52.55 52.13 2wv1 s ASP 186 Cb 0.00 -2.15 0.18 0.00 -1.46 0.00 0.00 42.92 39.48 2wv1 s ASP 186 CO 0.00 -0.01 1.66 0.25 0.52 0.00 0.00 175.17 177.59 2wv1 h LEU 187 N 7.71 -0.41 -0.20 -1.34 5.85 -1.99 -1.51 115.31 123.42 2wv1 h LEU 187 Ca -0.37 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2wv1 h LEU 187 Cb 1.17 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2wv1 h LEU 187 CO 0.67 -0.15 0.12 0.58 -0.34 0.00 0.00 178.44 179.32 2wv1 h VAL 188 N 0.03 1.09 -0.84 1.05 2.07 -1.96 -0.86 116.25 116.82 2wv1 h VAL 188 Ca 0.25 -0.22 0.16 0.00 0.82 0.00 0.00 66.70 67.72 2wv1 h VAL 188 Cb 0.39 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 30.93 2wv1 h VAL 188 CO -0.50 0.08 0.40 0.28 0.02 0.00 0.00 177.57 177.85 2wv1 h SER 189 N 0.23 0.44 -0.49 0.57 0.02 -1.91 0.68 113.55 113.10 2wv1 h SER 189 Ca 0.07 0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2wv1 h SER 189 Cb 0.03 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2wv1 h SER 189 CO -0.01 0.15 -0.08 0.03 -1.14 0.00 0.00 176.83 175.79 2wv1 h ARG 190 N 0.54 0.91 -0.13 3.45 3.08 -0.44 0.34 114.38 122.14 2wv1 h ARG 190 Ca 0.47 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wv1 h ARG 190 Cb 0.73 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2wv1 h ARG 190 CO -0.40 0.98 0.07 0.82 -1.07 0.00 0.00 179.97 180.37 2wv1 h ILE 191 N 0.76 1.08 -0.40 2.04 2.04 -0.56 -2.48 117.51 119.99 2wv1 h ILE 191 Ca 0.13 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2wv1 h ILE 191 Cb 0.62 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2wv1 h ILE 191 CO 0.04 0.08 0.14 0.40 0.00 0.00 0.00 178.15 178.80 2wv1 h ILE 192 N 0.12 1.21 -0.87 -0.67 2.04 -0.57 -2.12 117.51 116.65 2wv1 h ILE 192 Ca 0.05 -0.67 0.14 0.00 1.00 0.00 0.00 64.86 65.38 2wv1 h ILE 192 Cb 0.06 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2wv1 h ILE 192 CO -0.01 0.24 0.57 0.28 0.00 0.00 0.00 178.15 179.23 2wv1 h SER 193 N 0.50 0.62 0.74 1.72 0.02 -0.32 -0.51 113.55 116.33 2wv1 h SER 193 Ca 0.13 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2wv1 h SER 193 Cb 0.23 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2wv1 h SER 193 CO -0.01 0.31 -0.45 0.00 -1.14 0.00 0.00 176.83 175.55 2wv1 h ALA 194 N 1.60 1.01 0.02 3.77 0.00 -0.91 -2.67 119.26 122.09 2wv1 h ALA 194 Ca 0.44 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2wv1 h ALA 194 Cb 0.73 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2wv1 h ALA 194 CO -0.19 0.56 -1.19 -0.07 0.00 0.00 0.00 179.25 178.36 2wv1 h LEU 195 N 0.00 0.08 -0.56 0.00 3.38 -0.87 -3.35 115.31 113.99 2wv1 h LEU 195 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2wv1 h LEU 195 Cb 0.94 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2wv1 h LEU 195 CO 0.06 1.08 -0.39 0.35 0.09 0.00 0.00 178.44 179.62 2wv1 n THR 196 N -3.33 0.00 -1.77 0.22 -2.24 -0.30 0.12 114.28 106.99 2wv1 n THR 196 Ca -0.05 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2wv1 n THR 196 Cb 0.98 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 2wv1 n THR 196 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wv1 s ASP 197 N -2.57 6.23 0.00 3.42 2.15 -1.01 -4.87 116.67 120.01 2wv1 s ASP 197 Ca 0.20 2.27 0.26 0.00 0.43 0.00 0.00 52.55 55.71 2wv1 s ASP 197 Cb 0.19 -2.53 1.54 0.00 -0.30 0.00 0.00 42.92 41.81 2wv1 s ASP 197 CO 0.58 -1.29 1.89 0.29 -0.17 0.00 0.00 175.17 176.47