#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwp s PHE 26 N 0.00 3.48 -0.14 1.61 2.99 -1.26 -4.82 117.98 119.84 3iwp s PHE 26 Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 56.93 58.32 3iwp s PHE 26 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 43.02 39.64 3iwp s PHE 26 CO 0.00 -1.08 -0.15 -1.17 -0.00 0.00 0.00 175.22 172.82 3iwp s LEU 27 N 0.76 2.51 -0.24 -0.37 0.20 0.24 -4.98 118.68 116.80 3iwp s LEU 27 Ca 0.56 -0.43 -0.07 0.00 0.69 0.00 0.00 54.13 54.89 3iwp s LEU 27 Cb -0.29 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 3iwp s LEU 27 CO 0.30 0.12 0.05 -0.32 -0.29 0.00 0.00 176.35 176.21 3iwp s MET 28 N 0.60 3.64 -0.08 1.98 -2.45 -1.26 -0.23 119.30 121.49 3iwp s MET 28 Ca -0.09 -0.49 -0.02 0.00 -1.25 0.00 0.00 55.69 53.84 3iwp s MET 28 Cb -0.16 -3.25 -0.03 0.00 1.25 0.00 0.00 34.83 32.63 3iwp s MET 28 CO 0.03 -0.14 0.01 -2.00 1.05 0.00 0.00 175.02 173.97 3iwp s GLU 29 N 1.46 3.01 -0.03 4.11 2.12 0.66 -2.34 118.70 127.69 3iwp s GLU 29 Ca 0.05 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.01 3iwp s GLU 29 Cb -0.15 -2.82 0.01 0.00 0.26 0.00 0.00 34.13 31.43 3iwp s GLU 29 CO 0.03 0.70 -0.07 0.08 -0.54 0.00 0.00 175.26 175.46 3iwp s VAL 30 N -0.91 0.61 0.11 3.70 1.01 -1.17 -0.82 120.40 122.92 3iwp s VAL 30 Ca 0.14 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3iwp s VAL 30 Cb -0.11 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 3iwp s VAL 30 CO 0.03 0.21 0.99 0.00 0.00 0.00 0.00 175.10 176.32 3iwp s VAL 32 N 0.10 0.32 -0.15 0.00 -7.23 -0.04 -4.83 120.40 108.57 3iwp s VAL 32 Ca 0.48 -0.69 0.16 0.00 -1.81 0.00 0.00 61.98 60.12 3iwp s VAL 32 Cb -0.24 -0.37 0.30 0.00 0.56 0.00 0.00 36.38 36.63 3iwp s VAL 32 CO 0.30 -0.25 1.19 -0.90 -0.31 0.00 0.00 175.10 175.13 3iwp n ASP 33 N 2.07 2.62 -3.75 4.85 5.68 -1.25 -1.28 116.55 125.49 3iwp n ASP 33 Ca -0.19 -2.91 -0.07 0.00 -0.50 0.00 0.00 54.79 51.12 3iwp n ASP 33 Cb 0.56 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 3iwp n ASP 33 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3iwp s SER 34 N -2.41 -0.30 0.03 -1.12 1.04 -1.26 -4.91 113.70 104.77 3iwp s SER 34 Ca 0.30 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 3iwp s SER 34 Cb 0.25 0.64 -0.29 0.00 0.10 0.00 0.00 66.02 66.72 3iwp s SER 34 CO 0.04 -1.16 1.06 -0.37 0.98 0.00 0.00 173.24 173.79 3iwp h VAL 35 N 2.00 1.33 -0.63 5.02 -1.51 -1.97 -1.62 116.25 118.87 3iwp h VAL 35 Ca -0.23 -2.43 0.06 0.00 -1.23 0.00 0.00 66.70 62.87 3iwp h VAL 35 Cb 1.25 2.78 -0.08 0.00 -2.13 0.00 0.00 31.29 33.12 3iwp h VAL 35 CO 0.26 0.73 -0.37 1.21 -1.23 0.00 0.00 177.57 178.17 3iwp n GLU 36 N -3.90 -0.28 -0.29 5.19 4.07 -1.26 0.48 120.64 124.65 3iwp n GLU 36 Ca -0.14 1.32 -0.02 0.00 -0.06 0.00 0.00 57.16 58.26 3iwp n GLU 36 Cb 0.93 -1.95 0.10 0.00 -0.06 0.00 0.00 31.44 30.46 3iwp n GLU 36 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3iwp h SER 37 N 0.00 0.87 -0.05 4.31 0.02 -1.87 -1.30 113.55 115.53 3iwp h SER 37 Ca 0.10 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3iwp h SER 37 Cb 0.26 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3iwp h SER 37 CO -0.60 0.60 -0.17 0.00 -1.14 0.00 0.00 176.83 175.52 3iwp h ALA 38 N 1.33 -0.17 -0.35 3.77 0.00 -0.19 0.23 119.26 123.88 3iwp h ALA 38 Ca 0.32 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3iwp h ALA 38 Cb -0.01 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3iwp h ALA 38 CO -0.11 -0.65 0.03 0.28 0.00 0.00 0.00 179.25 178.79 3iwp h VAL 39 N -0.26 0.77 -0.19 0.00 2.07 0.46 -1.98 116.25 117.13 3iwp h VAL 39 Ca 0.07 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3iwp h VAL 39 Cb 0.36 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3iwp h VAL 39 CO -0.20 0.02 -0.06 0.78 0.02 0.00 0.00 177.57 178.13 3iwp h ASN 40 N 0.13 -0.21 -0.31 0.57 2.35 -0.98 -0.99 115.58 116.14 3iwp h ASN 40 Ca 0.17 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 56.04 3iwp h ASN 40 Cb 0.22 0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 3iwp h ASN 40 CO -0.26 -0.08 -0.09 0.00 -1.65 0.00 0.00 177.43 175.35 3iwp h ALA 41 N 1.16 0.18 -0.61 -0.83 0.00 -0.35 0.25 119.26 119.06 3iwp h ALA 41 Ca 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3iwp h ALA 41 Cb 0.16 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3iwp h ALA 41 CO -0.20 -0.48 0.23 1.49 0.00 0.00 0.00 179.25 180.28 3iwp h GLU 42 N -0.02 0.93 -0.06 0.00 4.81 -1.23 -0.02 114.58 118.99 3iwp h GLU 42 Ca 0.15 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3iwp h GLU 42 Cb 0.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3iwp h GLU 42 CO -0.33 0.80 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.41 3iwp h ARG 43 N 0.86 0.10 -0.00 1.92 2.43 -0.42 -1.91 114.38 117.36 3iwp h ARG 43 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3iwp h ARG 43 Cb 0.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3iwp h ARG 43 CO -0.01 0.35 -0.08 0.41 -1.51 0.00 0.00 179.97 179.13 3iwp n GLY 44 N -0.71 -1.46 0.00 2.80 0.00 0.81 -4.92 105.19 101.71 3iwp n GLY 44 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3iwp n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 45 N 1.50 1.21 3.77 -0.02 0.00 -0.72 -3.04 105.19 107.89 3iwp n GLY 45 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3iwp n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 46 N -2.00 3.35 -0.17 4.61 0.00 -0.08 -4.92 121.76 122.55 3iwp s ALA 46 Ca 0.00 1.50 0.19 0.00 0.00 0.00 0.00 51.96 53.65 3iwp s ALA 46 Cb 0.00 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3iwp s ALA 46 CO 0.00 -1.15 0.89 -0.25 0.00 0.00 0.00 175.76 175.25 3iwp n ASP 47 N 0.02 0.80 -3.72 0.00 8.00 -0.99 -4.62 116.55 116.04 3iwp n ASP 47 Ca 0.04 0.33 -0.14 0.00 0.71 0.00 0.00 54.79 55.74 3iwp n ASP 47 Cb 0.41 0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 41.79 3iwp n ASP 47 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3iwp s ARG 48 N -3.13 0.59 -0.05 -1.24 3.52 -1.15 -4.32 118.95 113.18 3iwp s ARG 48 Ca -0.02 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.98 3iwp s ARG 48 Cb 0.09 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 3iwp s ARG 48 CO 0.81 -0.12 -0.22 0.42 -0.81 0.00 0.00 175.30 175.38 3iwp s ILE 49 N -0.33 2.39 -0.18 4.11 1.01 -0.57 -3.03 121.20 124.59 3iwp s ILE 49 Ca -0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 3iwp s ILE 49 Cb -0.03 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3iwp s ILE 49 CO 0.02 0.58 -0.06 -0.70 0.00 0.00 0.00 174.94 174.78 3iwp s GLU 50 N -0.45 3.45 -0.52 2.79 2.12 -0.28 -0.27 118.70 125.54 3iwp s GLU 50 Ca 0.05 -0.61 -0.22 0.00 0.36 0.00 0.00 54.97 54.55 3iwp s GLU 50 Cb -0.12 -2.90 0.04 0.00 0.26 0.00 0.00 34.13 31.42 3iwp s GLU 50 CO 0.01 0.00 0.80 -0.51 -0.54 0.00 0.00 175.26 175.02 3iwp s LEU 51 N 0.96 4.45 -0.26 2.70 1.43 0.16 -0.86 118.68 127.25 3iwp s LEU 51 Ca -0.01 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3iwp s LEU 51 Cb -0.15 -2.70 0.07 0.00 0.03 0.00 0.00 46.19 43.45 3iwp s LEU 51 CO 0.00 -1.05 -0.01 0.00 0.23 0.00 0.00 176.35 175.52 3iwp s SER 53 N 1.34 4.95 -1.30 0.00 0.15 -0.20 -3.83 113.70 114.79 3iwp s SER 53 Ca -0.01 1.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.80 3iwp s SER 53 Cb -0.19 -1.91 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 3iwp s SER 53 CO -0.09 -1.66 0.80 0.61 1.20 0.00 0.00 173.24 174.09 3iwp n GLY 54 N -2.65 -0.33 0.31 9.45 0.00 -1.26 0.19 105.19 110.90 3iwp n GLY 54 Ca 0.07 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.37 3iwp n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iwp h LEU 55 N -1.92 0.00 -1.48 0.99 3.38 -1.92 -2.00 115.31 112.35 3iwp h LEU 55 Ca -0.60 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.47 3iwp h LEU 55 Cb 1.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 3iwp h LEU 55 CO 0.56 0.00 0.47 0.28 0.09 0.00 0.00 178.44 179.84 3iwp h SER 56 N 0.00 0.53 -0.53 -0.43 0.02 -1.98 -2.11 113.55 109.05 3iwp h SER 56 Ca 0.05 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3iwp h SER 56 Cb 0.26 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3iwp h SER 56 CO -0.00 0.31 0.01 -1.84 -1.14 0.00 0.00 176.83 174.17 3iwp n GLU 57 N -4.49 4.55 -0.06 3.45 0.00 -0.77 -4.91 120.64 118.42 3iwp n GLU 57 Ca 0.12 -3.12 0.00 0.00 0.00 0.00 0.00 57.16 54.16 3iwp n GLU 57 Cb 0.35 -2.20 0.00 0.00 0.00 0.00 0.00 31.44 29.59 3iwp n GLU 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3iwp n GLY 58 N 0.40 1.40 0.00 -1.84 0.00 -0.79 -4.73 105.19 99.63 3iwp n GLY 58 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3iwp n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 59 N -2.00 3.80 3.40 -0.02 0.00 -1.09 -4.94 105.19 104.33 3iwp n GLY 59 Ca 0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3iwp n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwp s THR 60 N 0.00 2.07 0.00 2.61 2.01 0.50 -4.81 115.64 118.04 3iwp s THR 60 Ca 0.00 -2.28 -0.35 0.00 0.31 0.00 0.00 61.69 59.37 3iwp s THR 60 Cb 0.00 -2.15 -0.13 0.00 0.01 0.00 0.00 72.50 70.23 3iwp s THR 60 CO 0.00 -0.49 1.73 0.41 -0.69 0.00 0.00 174.62 175.57 3iwp n THR 61 N -0.45 0.31 -1.67 -0.82 -1.04 -0.88 -1.04 114.28 108.69 3iwp n THR 61 Ca -0.07 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 3iwp n THR 61 Cb 0.60 -1.65 0.12 0.00 -1.82 0.00 0.00 70.33 67.59 3iwp n THR 61 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3iwp s PRO 62 N 2.65 1.41 0.18 -2.82 0.04 -1.26 -4.62 135.00 130.59 3iwp s PRO 62 Ca 0.87 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 3iwp s PRO 62 Cb -0.73 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 3iwp s PRO 62 CO 0.47 -1.99 1.15 -1.54 0.04 0.00 0.00 177.00 175.12 3iwp s SER 63 N -4.24 7.18 0.57 6.66 1.04 -1.26 -4.92 113.70 118.73 3iwp s SER 63 Ca 0.63 2.16 0.26 0.00 0.48 0.00 0.00 55.95 59.49 3iwp s SER 63 Cb -0.13 -2.61 1.61 0.00 0.10 0.00 0.00 66.02 64.99 3iwp s SER 63 CO 0.52 -0.29 2.15 0.24 0.98 0.00 0.00 173.24 176.84 3iwp h MET 64 N 5.12 0.00 0.10 4.02 2.86 -1.99 -1.37 114.93 123.69 3iwp h MET 64 Ca -0.44 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.22 3iwp h MET 64 Cb 1.21 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.83 3iwp h MET 64 CO 0.73 0.00 -0.39 0.78 1.06 0.00 0.00 176.91 179.09 3iwp h GLY 65 N 0.00 -0.76 0.75 8.32 0.00 -2.01 -1.95 103.07 107.42 3iwp h GLY 65 Ca 0.06 0.47 0.06 0.00 0.00 0.00 0.00 47.33 47.91 3iwp h GLY 65 CO -0.00 -0.26 0.51 -2.08 0.00 0.00 0.00 176.54 174.71 3iwp h VAL 66 N -0.61 1.05 0.02 4.60 2.07 -1.64 -2.56 116.25 119.17 3iwp h VAL 66 Ca 0.03 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3iwp h VAL 66 Cb 0.65 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3iwp h VAL 66 CO -0.24 0.17 -0.43 0.25 0.02 0.00 0.00 177.57 177.35 3iwp h LEU 67 N 0.95 -1.31 -0.63 2.57 6.46 -1.22 -1.54 115.31 120.59 3iwp h LEU 67 Ca 0.36 0.14 0.12 0.00 -0.12 0.00 0.00 57.88 58.39 3iwp h LEU 67 Cb 0.14 0.49 -0.12 0.00 -0.73 0.00 0.00 40.66 40.44 3iwp h LEU 67 CO -0.16 -0.42 -0.19 1.56 -0.62 0.00 0.00 178.44 178.61 3iwp h GLN 68 N -0.55 -0.03 -0.58 1.25 4.20 -0.94 0.17 115.11 118.63 3iwp h GLN 68 Ca 0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 3iwp h GLN 68 Cb 0.58 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3iwp h GLN 68 CO -0.27 -0.02 -0.04 0.28 -0.67 0.00 0.00 178.83 178.11 3iwp h VAL 69 N -0.03 1.27 -0.64 -0.54 2.07 -1.45 -2.59 116.25 114.34 3iwp h VAL 69 Ca 0.30 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 3iwp h VAL 69 Cb 0.49 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3iwp h VAL 69 CO -0.66 0.43 0.33 0.58 0.02 0.00 0.00 177.57 178.27 3iwp h VAL 70 N 0.94 1.21 0.00 2.57 2.07 0.04 -1.10 116.25 121.97 3iwp h VAL 70 Ca 0.16 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3iwp h VAL 70 Cb 0.59 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3iwp h VAL 70 CO 0.04 0.23 -0.18 0.11 0.02 0.00 0.00 177.57 177.79 3iwp h LYS 71 N 0.87 0.00 0.00 1.57 1.79 -1.05 -2.30 116.57 117.46 3iwp h LYS 71 Ca 0.22 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.55 3iwp h LYS 71 Cb 0.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3iwp h LYS 71 CO -0.03 0.18 -0.67 1.96 -1.08 0.00 0.00 179.45 179.81 3iwp h GLN 72 N 0.00 0.00 -0.13 3.15 4.20 -0.83 -3.35 115.11 118.15 3iwp h GLN 72 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3iwp h GLN 72 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3iwp h GLN 72 CO 0.02 0.67 0.00 -1.13 -0.67 0.00 0.00 178.83 177.73 3iwp n SER 73 N -3.60 2.82 -3.71 1.46 3.41 -0.70 -4.98 113.62 108.32 3iwp n SER 73 Ca -0.00 -2.66 -0.12 0.00 -0.26 0.00 0.00 58.87 55.83 3iwp n SER 73 Cb 0.69 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.18 3iwp n SER 73 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iwp s VAL 74 N -2.16 -0.10 0.05 -3.33 1.01 -0.90 -4.80 120.40 110.17 3iwp s VAL 74 Ca 0.27 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3iwp s VAL 74 Cb 0.21 -0.48 -0.26 0.00 0.00 0.00 0.00 36.38 35.85 3iwp s VAL 74 CO 0.06 0.06 1.04 -0.61 0.00 0.00 0.00 175.10 175.65 3iwp h GLN 75 N 7.33 0.18 -7.21 2.72 -0.00 -1.88 -3.44 115.11 112.81 3iwp h GLN 75 Ca -0.35 -0.31 -0.51 0.00 -0.00 0.00 0.00 58.65 57.48 3iwp h GLN 75 Cb 1.16 0.11 0.10 0.00 0.00 0.00 0.00 27.48 28.85 3iwp h GLN 75 CO 0.31 1.08 0.37 0.96 0.00 0.00 0.00 178.83 181.55 3iwp s ILE 76 N -2.65 3.35 0.28 2.39 -4.36 -1.26 -4.97 121.20 113.98 3iwp s ILE 76 Ca -0.05 0.61 -0.30 0.00 -0.26 0.00 0.00 60.65 60.65 3iwp s ILE 76 Cb 0.08 -3.13 -0.13 0.00 1.25 0.00 0.00 42.46 40.53 3iwp s ILE 76 CO 0.85 -0.41 1.37 -0.81 0.24 0.00 0.00 174.94 176.19 3iwp n PRO 77 N -2.47 2.10 -3.91 0.37 -0.04 -1.26 -4.82 135.00 124.96 3iwp n PRO 77 Ca 0.10 0.74 -0.35 0.00 -0.04 0.00 0.00 63.50 63.95 3iwp n PRO 77 Cb 0.52 -2.38 -0.14 0.00 -0.04 0.00 0.00 33.50 31.47 3iwp n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iwp s VAL 78 N -0.43 3.09 -0.09 0.52 1.01 -1.26 -1.52 120.40 121.73 3iwp s VAL 78 Ca 0.63 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 3iwp s VAL 78 Cb -0.61 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3iwp s VAL 78 CO 0.54 0.09 0.35 -0.36 0.00 0.00 0.00 175.10 175.72 3iwp s PHE 79 N 1.33 3.59 -0.17 5.22 2.99 0.63 -0.46 117.98 131.12 3iwp s PHE 79 Ca -0.01 0.79 -0.05 0.00 0.00 0.00 0.00 56.93 57.66 3iwp s PHE 79 Cb -0.18 -2.30 -0.03 0.00 0.00 0.00 0.00 43.02 40.51 3iwp s PHE 79 CO -0.02 0.45 -0.00 0.08 -0.00 0.00 0.00 175.22 175.72 3iwp s VAL 80 N -0.30 4.19 -0.01 -0.44 1.01 0.30 -0.66 120.40 124.49 3iwp s VAL 80 Ca 0.21 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3iwp s VAL 80 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3iwp s VAL 80 CO 0.09 0.48 1.40 -0.04 0.00 0.00 0.00 175.10 177.03 3iwp s MET 81 N 0.38 4.28 -0.37 2.72 -1.94 -1.02 -1.14 119.30 122.20 3iwp s MET 81 Ca -0.02 1.95 -0.03 0.00 -1.71 0.00 0.00 55.69 55.89 3iwp s MET 81 Cb -0.14 -3.60 0.09 0.00 2.01 0.00 0.00 34.83 33.19 3iwp s MET 81 CO 0.02 -0.59 0.14 0.42 -0.01 0.00 0.00 175.02 175.01 3iwp s ILE 82 N 2.51 3.27 -0.29 2.53 -1.09 -0.33 -3.60 121.20 124.20 3iwp s ILE 82 Ca 0.64 -1.80 0.02 0.00 -2.23 0.00 0.00 60.65 57.28 3iwp s ILE 82 Cb -0.31 -3.11 0.19 0.00 -1.58 0.00 0.00 42.46 37.65 3iwp s ILE 82 CO 0.26 -0.50 0.63 -0.60 -1.23 0.00 0.00 174.94 173.51 3iwp s ARG 83 N 1.20 0.53 0.57 2.79 3.52 -1.26 -4.54 118.95 121.76 3iwp s ARG 83 Ca 0.04 0.70 0.36 0.00 -0.13 0.00 0.00 55.73 56.70 3iwp s ARG 83 Cb -0.22 0.36 1.57 0.00 -1.56 0.00 0.00 34.95 35.10 3iwp s ARG 83 CO -0.03 -0.81 2.06 -1.00 -0.81 0.00 0.00 175.30 174.71 3iwp h PRO 84 N 7.96 0.00 -2.70 5.12 0.13 -1.92 -2.35 132.00 138.25 3iwp h PRO 84 Ca -0.10 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 3iwp h PRO 84 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 3iwp h PRO 84 CO 0.17 0.00 0.34 -0.98 -0.23 0.00 0.00 178.00 177.31 3iwp s ARG 85 N -3.76 1.40 -0.02 0.86 1.70 -1.26 -4.96 118.95 112.91 3iwp s ARG 85 Ca -0.00 -0.72 0.08 0.00 -0.47 0.00 0.00 55.73 54.62 3iwp s ARG 85 Cb 0.10 0.51 0.26 0.00 -0.57 0.00 0.00 34.95 35.25 3iwp s ARG 85 CO 0.52 -0.64 1.15 0.41 -1.08 0.00 0.00 175.30 175.66 3iwp n GLY 86 N -0.43 0.74 0.00 3.88 0.00 -1.26 -4.89 105.19 103.24 3iwp n GLY 86 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3iwp n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 87 N 0.77 -0.59 0.00 -0.02 0.00 -1.26 -4.96 105.19 99.13 3iwp n GLY 87 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3iwp n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iwp n ASP 88 N 0.00 0.00 -0.25 1.61 9.92 -1.26 -5.03 116.55 121.54 3iwp n ASP 88 Ca 0.00 -0.04 0.07 0.00 -0.53 0.00 0.00 54.79 54.29 3iwp n ASP 88 Cb 0.00 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.59 3iwp n ASP 88 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3iwp n PHE 89 N -0.05 0.00 -3.04 1.24 3.01 -1.26 -4.83 117.46 112.53 3iwp n PHE 89 Ca 0.00 -0.76 -0.45 0.00 1.01 0.00 0.00 57.45 57.25 3iwp n PHE 89 Cb 0.00 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 3iwp n PHE 89 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3iwp s LEU 90 N -2.10 5.46 0.15 4.37 1.43 -1.26 -1.13 118.68 125.60 3iwp s LEU 90 Ca 0.24 -2.56 -0.26 0.00 -1.03 0.00 0.00 54.13 50.52 3iwp s LEU 90 Cb 0.22 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 3iwp s LEU 90 CO 0.01 -0.82 0.81 -0.31 0.23 0.00 0.00 176.35 176.27 3iwp s TYR 91 N 1.58 3.88 0.70 0.29 2.02 -1.26 -5.06 117.35 119.50 3iwp s TYR 91 Ca 0.33 1.65 -0.11 0.00 -0.37 0.00 0.00 57.07 58.56 3iwp s TYR 91 Cb -0.06 -2.82 0.01 0.00 -0.40 0.00 0.00 41.96 38.69 3iwp s TYR 91 CO -0.07 0.44 1.07 -1.54 -1.57 0.00 0.00 175.55 173.88 3iwp s SER 92 N -0.86 5.47 0.27 2.29 1.04 -1.26 -4.83 113.70 115.83 3iwp s SER 92 Ca 0.38 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 58.16 3iwp s SER 92 Cb -0.23 -2.24 0.62 0.00 0.10 0.00 0.00 66.02 64.27 3iwp s SER 92 CO 0.27 -1.35 1.66 0.44 0.98 0.00 0.00 173.24 175.23 3iwp h ASP 93 N -0.66 -0.03 -0.16 7.02 3.32 -1.99 -1.64 116.42 122.28 3iwp h ASP 93 Ca -0.45 0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.61 3iwp h ASP 93 Cb 1.23 0.26 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 3iwp h ASP 93 CO 0.61 -0.13 -0.57 0.03 -1.72 0.00 0.00 179.24 177.46 3iwp h ARG 94 N 0.22 0.76 -0.30 3.56 3.08 -2.00 -2.13 114.38 117.57 3iwp h ARG 94 Ca 0.51 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3iwp h ARG 94 Cb 0.97 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3iwp h ARG 94 CO -0.62 1.12 0.18 0.93 -1.07 0.00 0.00 179.97 180.51 3iwp h GLU 95 N 0.58 0.40 -0.24 0.04 5.08 -1.78 -2.37 114.58 116.29 3iwp h GLU 95 Ca 0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3iwp h GLU 95 Cb 1.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3iwp h GLU 95 CO 0.12 0.31 0.16 -0.84 -1.00 0.00 0.00 179.01 177.76 3iwp h ILE 96 N 0.38 1.04 -0.36 3.13 3.07 -1.09 -0.52 117.51 123.17 3iwp h ILE 96 Ca 0.11 -0.10 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 3iwp h ILE 96 Cb 0.01 0.72 -0.02 0.00 -0.27 0.00 0.00 36.82 37.26 3iwp h ILE 96 CO -0.02 0.05 0.17 -0.33 -1.05 0.00 0.00 178.15 176.98 3iwp h GLU 97 N 0.29 0.51 -0.54 0.16 5.08 -1.05 0.10 114.58 119.13 3iwp h GLU 97 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3iwp h GLU 97 Cb 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3iwp h GLU 97 CO -0.02 0.46 0.35 0.28 -1.00 0.00 0.00 179.01 179.08 3iwp h VAL 98 N 0.44 1.15 -0.28 3.13 2.07 -0.64 0.80 116.25 122.91 3iwp h VAL 98 Ca 0.12 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3iwp h VAL 98 Cb 0.11 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3iwp h VAL 98 CO -0.02 0.14 0.05 0.24 0.02 0.00 0.00 177.57 178.01 3iwp h MET 99 N 0.74 0.15 0.23 1.57 2.86 -1.03 0.20 114.93 119.64 3iwp h MET 99 Ca 0.20 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3iwp h MET 99 Cb -0.07 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3iwp h MET 99 CO -0.04 0.10 -0.11 0.87 1.06 0.00 0.00 176.91 178.79 3iwp h LYS 100 N 0.16 -0.29 -0.75 1.72 1.57 -0.20 -0.45 116.57 118.33 3iwp h LYS 100 Ca 0.13 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.09 3iwp h LYS 100 Cb 0.14 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.41 3iwp h LYS 100 CO -0.18 -0.10 0.22 0.00 -0.57 0.00 0.00 179.45 178.83 3iwp h ALA 101 N 0.30 1.00 0.00 3.86 0.00 0.76 -1.69 119.26 123.50 3iwp h ALA 101 Ca -0.03 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3iwp h ALA 101 Cb 0.33 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3iwp h ALA 101 CO 0.05 -0.31 -0.78 -0.44 0.00 0.00 0.00 179.25 177.77 3iwp h ASP 102 N 0.31 0.00 0.02 0.00 3.32 -0.46 -2.64 116.42 116.98 3iwp h ASP 102 Ca 0.42 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.48 3iwp h ASP 102 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3iwp h ASP 102 CO -0.49 0.78 -0.07 0.40 -1.72 0.00 0.00 179.24 178.14 3iwp h ILE 103 N 0.00 0.82 -0.75 0.35 2.04 -0.18 0.12 117.51 119.90 3iwp h ILE 103 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3iwp h ILE 103 Cb 1.39 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3iwp h ILE 103 CO 0.10 0.00 0.49 -0.09 0.00 0.00 0.00 178.15 178.65 3iwp h ARG 104 N -0.14 0.86 0.12 2.37 2.43 -1.32 -1.79 114.38 116.91 3iwp h ARG 104 Ca 0.02 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.86 3iwp h ARG 104 Cb 0.16 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3iwp h ARG 104 CO -0.06 0.57 -1.31 -0.07 -1.51 0.00 0.00 179.97 177.59 3iwp h LEU 105 N 0.89 0.38 -0.28 3.80 -0.00 -1.21 -2.55 115.31 116.35 3iwp h LEU 105 Ca 0.30 -0.44 -0.03 0.00 -0.00 0.00 0.00 57.88 57.72 3iwp h LEU 105 Cb 0.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 3iwp h LEU 105 CO -0.09 1.35 0.06 0.00 -0.00 0.00 0.00 178.44 179.76 3iwp h ALA 106 N 0.59 0.36 -0.44 1.53 0.00 -0.49 -1.11 119.26 119.70 3iwp h ALA 106 Ca -0.16 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.66 3iwp h ALA 106 Cb 1.97 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 3iwp h ALA 106 CO 0.19 0.02 0.04 0.87 0.00 0.00 0.00 179.25 180.37 3iwp h LYS 107 N 0.28 0.15 -0.88 0.00 1.57 -1.42 -1.70 116.57 114.58 3iwp h LYS 107 Ca 0.09 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 3iwp h LYS 107 Cb 0.29 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 3iwp h LYS 107 CO 0.00 0.10 0.57 1.25 -0.57 0.00 0.00 179.45 180.80 3iwp h LEU 108 N 0.16 0.64 -3.28 2.94 7.12 -0.92 -2.68 115.31 119.30 3iwp h LEU 108 Ca 0.22 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.27 3iwp h LEU 108 Cb 0.30 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 3iwp h LEU 108 CO -0.33 0.33 0.00 -1.22 -0.13 0.00 0.00 178.44 177.09 3iwp n TYR 109 N -4.55 1.41 0.00 1.25 4.02 -0.49 -4.93 117.16 113.86 3iwp n TYR 109 Ca 0.17 -0.71 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 3iwp n TYR 109 Cb 0.46 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3iwp n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iwp n GLY 110 N 0.44 0.96 3.58 2.72 0.00 -1.01 -4.57 105.19 107.32 3iwp n GLY 110 Ca 0.24 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.76 3iwp n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp n ALA 111 N -1.24 -0.95 0.96 4.61 0.00 -0.70 -4.86 120.51 118.33 3iwp n ALA 111 Ca 0.00 0.48 0.12 0.00 0.00 0.00 0.00 53.44 54.04 3iwp n ALA 111 Cb 0.00 -2.03 0.16 0.00 0.00 0.00 0.00 19.45 17.58 3iwp n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iwp n ASP 112 N 2.17 0.61 -3.53 0.00 8.00 0.39 -4.81 116.55 119.38 3iwp n ASP 112 Ca 0.16 -0.38 -0.08 0.00 0.71 0.00 0.00 54.79 55.20 3iwp n ASP 112 Cb 0.22 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.73 3iwp n ASP 112 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3iwp s GLY 113 N -3.06 -0.44 0.05 0.44 0.00 -1.20 -4.08 107.32 99.04 3iwp s GLY 113 Ca 0.10 0.91 0.04 0.00 0.00 0.00 0.00 44.72 45.77 3iwp s GLY 113 CO 0.74 0.30 -0.13 1.08 0.00 0.00 0.00 173.10 175.09 3iwp s LEU 114 N -2.54 2.22 -0.12 0.66 1.43 -0.17 -0.54 118.68 119.63 3iwp s LEU 114 Ca 0.06 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3iwp s LEU 114 Cb -0.01 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.76 3iwp s LEU 114 CO -0.08 -0.05 -0.08 -0.69 0.23 0.00 0.00 176.35 175.68 3iwp s VAL 115 N -1.08 1.06 0.26 -1.59 1.01 -0.29 -1.54 120.40 118.23 3iwp s VAL 115 Ca -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3iwp s VAL 115 Cb -0.09 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.23 3iwp s VAL 115 CO 0.01 0.37 0.38 2.22 0.00 0.00 0.00 175.10 178.08 3iwp n PHE 116 N 4.93 -1.26 -3.59 5.22 1.16 -0.54 -1.18 117.46 122.20 3iwp n PHE 116 Ca -0.13 -1.70 -0.11 0.00 -1.87 0.00 0.00 57.45 53.64 3iwp n PHE 116 Cb 0.50 0.43 -0.06 0.00 -1.61 0.00 0.00 39.48 38.74 3iwp n PHE 116 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3iwp s GLY 117 N -2.59 -0.29 -0.07 4.97 0.00 -1.26 0.08 107.32 108.16 3iwp s GLY 117 Ca 0.20 2.12 -0.22 0.00 0.00 0.00 0.00 44.72 46.82 3iwp s GLY 117 CO 0.15 1.28 0.51 0.00 0.00 0.00 0.00 173.10 175.04 3iwp s ALA 118 N -0.67 -1.31 0.20 3.20 0.00 -1.26 -4.92 121.76 116.99 3iwp s ALA 118 Ca -0.02 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 3iwp s ALA 118 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3iwp s ALA 118 CO 0.01 -0.30 0.25 -0.51 0.00 0.00 0.00 175.76 175.20 3iwp s LEU 119 N -0.92 0.94 0.19 0.00 1.43 -0.28 -2.92 118.68 117.11 3iwp s LEU 119 Ca -0.10 -1.14 0.07 0.00 -1.03 0.00 0.00 54.13 51.94 3iwp s LEU 119 Cb -0.03 0.92 -0.04 0.00 0.03 0.00 0.00 46.19 47.07 3iwp s LEU 119 CO 0.06 -0.92 0.02 0.42 0.23 0.00 0.00 176.35 176.15 3iwp s THR 120 N -4.07 3.78 0.59 5.49 -4.23 0.82 -4.42 115.64 113.60 3iwp s THR 120 Ca 0.29 -1.46 0.29 0.00 -1.18 0.00 0.00 61.69 59.63 3iwp s THR 120 Cb 0.04 -2.93 0.36 0.00 1.34 0.00 0.00 72.50 71.32 3iwp s THR 120 CO 0.08 -0.15 2.07 1.05 -0.54 0.00 0.00 174.62 177.12 3iwp h GLU 121 N 2.52 0.00 0.00 3.99 4.11 -1.97 0.18 114.58 123.40 3iwp h GLU 121 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3iwp h GLU 121 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3iwp h GLU 121 CO 0.59 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.42 3iwp n ASP 122 N -3.76 0.43 0.00 3.06 8.00 -1.26 -4.89 116.55 118.13 3iwp n ASP 122 Ca 0.02 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.10 3iwp n ASP 122 Cb 0.37 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3iwp n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iwp n GLY 123 N 0.65 0.99 3.77 0.44 0.00 0.61 -4.82 105.19 106.82 3iwp n GLY 123 Ca 0.04 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 3iwp n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iwp s HIS 124 N -2.00 2.77 0.04 1.61 3.76 -1.24 -2.46 115.29 117.78 3iwp s HIS 124 Ca 0.00 -0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.25 3iwp s HIS 124 Cb 0.00 -1.68 -0.07 0.00 1.11 0.00 0.00 32.58 31.94 3iwp s HIS 124 CO 0.00 0.30 1.51 0.42 -0.85 0.00 0.00 174.74 176.12 3iwp s ILE 125 N -2.38 3.37 -0.88 0.60 1.01 -1.26 -0.13 121.20 121.53 3iwp s ILE 125 Ca 0.39 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.60 3iwp s ILE 125 Cb -0.04 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.93 3iwp s ILE 125 CO 0.24 0.00 1.57 -0.62 0.00 0.00 0.00 174.94 176.13 3iwp s ASP 126 N 2.02 5.97 0.09 3.58 -1.08 -1.15 -4.75 116.67 121.36 3iwp s ASP 126 Ca 0.68 -0.83 -0.19 0.00 -0.52 0.00 0.00 52.55 51.69 3iwp s ASP 126 Cb -0.36 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.46 3iwp s ASP 126 CO 0.29 -1.96 1.57 0.11 0.52 0.00 0.00 175.17 175.70 3iwp h LYS 127 N 10.80 0.38 -0.74 4.34 1.57 -1.92 -0.03 116.57 130.97 3iwp h LYS 127 Ca 0.01 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3iwp h LYS 127 Cb 1.04 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 3iwp h LYS 127 CO 1.32 0.50 0.49 0.93 -0.57 0.00 0.00 179.45 182.12 3iwp h GLU 128 N 0.19 0.91 0.17 3.15 4.39 -1.99 0.22 114.58 121.63 3iwp h GLU 128 Ca 0.07 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.48 3iwp h GLU 128 Cb 0.30 -0.21 0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3iwp h GLU 128 CO 0.00 0.60 -1.04 1.25 -1.16 0.00 0.00 179.01 178.67 3iwp h LEU 129 N 0.94 0.61 -0.48 1.33 5.85 -1.94 -2.04 115.31 119.58 3iwp h LEU 129 Ca 0.29 -0.93 0.04 0.00 0.84 0.00 0.00 57.88 58.11 3iwp h LEU 129 Cb -0.01 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3iwp h LEU 129 CO -0.08 1.50 0.25 0.00 -0.34 0.00 0.00 178.44 179.77 3iwp h MET 131 N 0.49 0.99 0.19 0.00 1.85 -0.63 0.35 114.93 118.16 3iwp h MET 131 Ca 0.21 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 3iwp h MET 131 Cb 0.11 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 31.96 3iwp h MET 131 CO -0.14 0.79 -0.09 0.77 -0.40 0.00 0.00 176.91 177.84 3iwp h SER 132 N 0.95 -0.21 -0.57 1.39 0.02 -0.87 -0.86 113.55 113.39 3iwp h SER 132 Ca 0.23 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 3iwp h SER 132 Cb 0.13 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3iwp h SER 132 CO -0.03 -0.05 0.05 -0.07 -1.14 0.00 0.00 176.83 175.60 3iwp h LEU 133 N -0.37 0.94 -0.89 5.07 3.38 -1.13 -2.41 115.31 119.91 3iwp h LEU 133 Ca -0.03 -0.28 0.14 0.00 0.09 0.00 0.00 57.88 57.80 3iwp h LEU 133 Cb 0.28 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 3iwp h LEU 133 CO 0.04 0.99 0.50 0.24 0.09 0.00 0.00 178.44 180.30 3iwp h MET 134 N 0.86 0.71 -0.69 1.13 2.86 -0.17 -0.39 114.93 119.24 3iwp h MET 134 Ca 0.17 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3iwp h MET 134 Cb 0.47 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3iwp h MET 134 CO 0.02 0.47 0.45 0.00 1.06 0.00 0.00 176.91 178.91 3iwp h ALA 135 N 1.55 0.87 0.00 6.32 0.00 -0.64 -2.58 119.26 124.78 3iwp h ALA 135 Ca 0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3iwp h ALA 135 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iwp h ALA 135 CO -0.33 0.31 -0.25 0.82 0.00 0.00 0.00 179.25 179.80 3iwp h ILE 136 N 0.94 0.44 -0.33 0.00 5.03 -1.23 -3.28 117.51 119.07 3iwp h ILE 136 Ca 0.25 -1.53 -0.04 0.00 -0.12 0.00 0.00 64.86 63.42 3iwp h ILE 136 Cb -0.10 2.14 -0.01 0.00 -3.03 0.00 0.00 36.82 35.82 3iwp h ILE 136 CO -0.05 0.24 0.03 0.00 -0.68 0.00 0.00 178.15 177.69 3iwp n ARG 138 N -4.57 1.14 -0.15 0.00 5.12 -1.04 -2.79 116.66 114.37 3iwp n ARG 138 Ca -0.02 0.42 0.06 0.00 -1.93 0.00 0.00 57.85 56.38 3iwp n ARG 138 Cb 0.24 -2.07 0.17 0.00 -1.16 0.00 0.00 32.46 29.63 3iwp n ARG 138 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3iwp n PRO 139 N -0.30 1.70 -2.16 5.56 -0.04 -1.26 -5.06 135.00 133.44 3iwp n PRO 139 Ca 0.11 -1.08 -0.35 0.00 -0.04 0.00 0.00 63.50 62.13 3iwp n PRO 139 Cb 0.43 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.65 3iwp n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iwp s LEU 140 N -1.07 3.71 0.43 1.53 1.43 -1.12 -5.01 118.68 118.59 3iwp s LEU 140 Ca 0.22 2.24 -0.26 0.00 -1.03 0.00 0.00 54.13 55.31 3iwp s LEU 140 Cb 0.11 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 3iwp s LEU 140 CO 0.15 -1.36 1.37 -2.84 0.23 0.00 0.00 176.35 173.91 3iwp s PRO 141 N -3.32 3.80 -0.01 1.29 0.02 -1.26 -4.90 135.00 130.62 3iwp s PRO 141 Ca 0.74 2.30 -0.01 0.00 0.02 0.00 0.00 61.00 64.05 3iwp s PRO 141 Cb -0.26 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3iwp s PRO 141 CO 0.29 -0.68 0.03 0.08 -0.33 0.00 0.00 177.00 176.39 3iwp s VAL 142 N -1.23 0.02 -0.04 3.83 1.01 -1.26 -0.99 120.40 121.73 3iwp s VAL 142 Ca 0.59 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.49 3iwp s VAL 142 Cb -0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 3iwp s VAL 142 CO 0.53 -0.07 -0.17 0.42 0.00 0.00 0.00 175.10 175.81 3iwp s THR 143 N -0.20 1.41 -0.15 3.92 -4.23 -0.59 -2.25 115.64 113.55 3iwp s THR 143 Ca -0.02 -0.72 -0.29 0.00 -1.18 0.00 0.00 61.69 59.48 3iwp s THR 143 Cb -0.02 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.61 3iwp s THR 143 CO -0.00 0.41 1.05 0.12 -0.54 0.00 0.00 174.62 175.66 3iwp s PHE 144 N -0.03 3.38 0.00 3.99 5.36 0.51 -1.47 117.98 129.73 3iwp s PHE 144 Ca -0.02 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 3iwp s PHE 144 Cb -0.11 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 3iwp s PHE 144 CO 0.02 -0.50 0.00 -2.39 -1.46 0.00 0.00 175.22 170.89 3iwp n HIS 145 N 5.58 -2.59 0.06 10.12 1.44 0.11 -0.43 115.22 129.51 3iwp n HIS 145 Ca 0.10 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.82 3iwp n HIS 145 Cb 0.47 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.61 3iwp n HIS 145 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3iwp n ARG 146 N -0.74 0.02 -0.30 -1.40 1.74 -1.22 -0.88 116.66 113.87 3iwp n ARG 146 Ca 0.00 0.19 0.24 0.00 -0.77 0.00 0.00 57.85 57.51 3iwp n ARG 146 Cb 0.00 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.50 3iwp n ARG 146 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iwp h ALA 147 N 2.06 2.41 -0.81 7.54 0.00 -1.91 -0.36 119.26 128.19 3iwp h ALA 147 Ca 0.00 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.14 3iwp h ALA 147 Cb 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.69 3iwp h ALA 147 CO 0.00 -0.77 0.10 0.35 0.00 0.00 0.00 179.25 178.93 3iwp h PHE 148 N 0.31 0.11 0.00 0.00 3.57 -1.27 -0.55 116.94 119.11 3iwp h PHE 148 Ca 0.56 0.05 0.00 0.00 3.53 0.00 0.00 57.97 62.11 3iwp h PHE 148 Cb 1.58 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.40 3iwp h PHE 148 CO -0.00 -0.22 0.00 -0.25 -2.23 0.00 0.00 178.31 175.61 3iwp n ASP 149 N -5.29 0.00 -1.89 0.41 10.43 -0.14 -2.04 116.55 118.02 3iwp n ASP 149 Ca 0.17 0.43 0.06 0.00 2.57 0.00 0.00 54.79 58.02 3iwp n ASP 149 Cb 0.55 -0.46 0.40 0.00 1.84 0.00 0.00 41.12 43.45 3iwp n ASP 149 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 3iwp n MET 150 N -1.46 4.79 -3.98 -1.24 2.81 -0.21 -4.44 117.12 113.40 3iwp n MET 150 Ca 0.02 -3.11 -0.31 0.00 -1.81 0.00 0.00 57.70 52.48 3iwp n MET 150 Cb 0.09 -2.26 -0.05 0.00 -0.71 0.00 0.00 33.22 30.28 3iwp n MET 150 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3iwp s VAL 151 N -2.76 5.05 -0.04 2.03 1.01 -0.87 -4.86 120.40 119.96 3iwp s VAL 151 Ca 0.54 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 3iwp s VAL 151 Cb 0.41 -3.42 -0.24 0.00 0.00 0.00 0.00 36.38 33.14 3iwp s VAL 151 CO 0.16 0.19 1.03 -0.74 0.00 0.00 0.00 175.10 175.74 3iwp h HIS 152 N 3.40 0.31 -3.53 5.22 2.76 -1.80 -3.40 115.15 118.10 3iwp h HIS 152 Ca -0.47 -0.17 -0.69 0.00 -2.20 0.00 0.00 60.37 56.84 3iwp h HIS 152 Cb 1.17 -0.03 -0.36 0.00 1.55 0.00 0.00 27.41 29.74 3iwp h HIS 152 CO 0.62 0.97 -0.39 0.34 -1.30 0.00 0.00 177.93 178.17 3iwp s ASP 153 N -6.38 5.18 0.23 3.26 2.15 -1.26 -4.93 116.67 114.91 3iwp s ASP 153 Ca -0.15 -2.82 0.02 0.00 0.43 0.00 0.00 52.55 50.02 3iwp s ASP 153 Cb 0.01 -1.84 0.23 0.00 -0.30 0.00 0.00 42.92 41.02 3iwp s ASP 153 CO 0.75 -0.37 1.55 1.55 -0.17 0.00 0.00 175.17 178.49 3iwp h PRO 154 N 7.04 0.33 -0.56 4.34 0.13 -1.92 -1.62 132.00 139.75 3iwp h PRO 154 Ca -0.02 -0.22 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3iwp h PRO 154 Cb 0.95 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 3iwp h PRO 154 CO 0.71 0.81 0.27 0.00 -0.23 0.00 0.00 178.00 179.56 3iwp h MET 155 N 0.25 0.81 0.00 0.86 -0.00 -1.98 0.20 114.93 115.08 3iwp h MET 155 Ca -0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 59.70 59.55 3iwp h MET 155 Cb 1.08 -0.15 -0.00 0.00 -0.00 0.00 0.00 31.60 32.53 3iwp h MET 155 CO 0.09 0.66 -0.15 0.00 -0.00 0.00 0.00 176.91 177.51 3iwp h ALA 156 N 1.10 0.91 -0.19 -3.00 0.00 -1.99 -3.29 119.26 112.80 3iwp h ALA 156 Ca 0.19 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3iwp h ALA 156 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iwp h ALA 156 CO -0.02 0.19 -0.66 0.00 0.00 0.00 0.00 179.25 178.75 3iwp h ALA 157 N 1.85 0.48 0.00 0.00 0.00 -0.26 -3.01 119.26 118.32 3iwp h ALA 157 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3iwp h ALA 157 Cb 1.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3iwp h ALA 157 CO 0.02 0.70 -0.06 1.25 0.00 0.00 0.00 179.25 181.16 3iwp h LEU 158 N 0.51 0.00 -0.01 0.00 5.85 -0.71 -2.24 115.31 118.71 3iwp h LEU 158 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3iwp h LEU 158 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3iwp h LEU 158 CO 0.13 0.06 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.17 3iwp h GLU 159 N 0.00 0.04 -0.73 1.25 4.57 -1.63 -2.15 114.58 115.92 3iwp h GLU 159 Ca -0.00 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 3iwp h GLU 159 Cb 0.14 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3iwp h GLU 159 CO 0.01 0.68 0.24 0.00 -1.18 0.00 0.00 179.01 178.76 3iwp h THR 160 N -0.59 1.26 -0.75 0.32 1.03 -1.39 -0.69 112.91 112.09 3iwp h THR 160 Ca -0.00 -0.87 -0.05 0.00 -0.01 0.00 0.00 66.41 65.48 3iwp h THR 160 Cb 0.68 0.43 -0.03 0.00 -1.07 0.00 0.00 68.15 68.17 3iwp h THR 160 CO 0.01 0.35 0.28 -0.07 -0.01 0.00 0.00 175.52 176.07 3iwp h LEU 161 N 1.08 1.05 -0.22 0.00 3.38 -1.49 0.16 115.31 119.26 3iwp h LEU 161 Ca 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3iwp h LEU 161 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3iwp h LEU 161 CO -0.01 0.95 0.14 0.25 0.09 0.00 0.00 178.44 179.85 3iwp h LEU 162 N 1.10 0.24 -0.42 1.67 7.12 -0.95 -0.99 115.31 123.07 3iwp h LEU 162 Ca 0.25 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.26 3iwp h LEU 162 Cb 0.24 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 3iwp h LEU 162 CO -0.02 0.17 0.00 0.71 -0.13 0.00 0.00 178.44 179.18 3iwp h THR 163 N 0.29 0.00 0.00 1.05 1.35 -0.73 -2.79 112.91 112.08 3iwp h THR 163 Ca 0.08 -0.78 -0.16 0.00 -0.55 0.00 0.00 66.41 65.00 3iwp h THR 163 Cb -0.02 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 3iwp h THR 163 CO -0.03 0.00 -0.76 -0.07 -0.25 0.00 0.00 175.52 174.41 3iwp h LEU 164 N 0.00 0.00 0.00 3.87 3.38 -0.52 -3.49 115.31 118.55 3iwp h LEU 164 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iwp h LEU 164 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3iwp h LEU 164 CO 0.00 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.90 3iwp n GLY 165 N 0.67 1.43 3.77 0.83 0.00 -0.40 -4.99 105.19 106.51 3iwp n GLY 165 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3iwp n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwp s PHE 166 N -2.00 2.87 0.15 1.61 0.40 -1.10 -4.95 117.98 114.96 3iwp s PHE 166 Ca 0.00 1.36 0.03 0.00 -0.60 0.00 0.00 56.93 57.72 3iwp s PHE 166 Cb 0.00 -3.76 -0.07 0.00 0.51 0.00 0.00 43.02 39.70 3iwp s PHE 166 CO 0.00 -2.19 1.34 0.93 0.70 0.00 0.00 175.22 176.00 3iwp h GLU 167 N 3.09 0.14 -3.83 0.44 4.39 -1.81 -3.45 114.58 113.54 3iwp h GLU 167 Ca -0.50 -0.17 -0.17 0.00 0.34 0.00 0.00 59.36 58.86 3iwp h GLU 167 Cb 1.24 0.06 -0.21 0.00 -0.10 0.00 0.00 28.75 29.73 3iwp h GLU 167 CO 0.64 0.98 -0.64 1.03 -1.16 0.00 0.00 179.01 179.86 3iwp s ARG 168 N -3.03 0.34 -0.05 2.33 0.52 -1.18 0.57 118.95 118.45 3iwp s ARG 168 Ca -0.02 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 3iwp s ARG 168 Cb 0.10 0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.71 3iwp s ARG 168 CO 0.83 -0.06 -0.10 0.08 0.02 0.00 0.00 175.30 176.07 3iwp s VAL 169 N -1.34 0.91 -0.15 3.52 1.01 0.20 -0.36 120.40 124.19 3iwp s VAL 169 Ca -0.15 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3iwp s VAL 169 Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3iwp s VAL 169 CO -0.00 0.30 0.55 -0.22 0.00 0.00 0.00 175.10 175.72 3iwp s LEU 170 N 0.63 4.22 -0.03 3.92 0.20 0.43 0.22 118.68 128.27 3iwp s LEU 170 Ca -0.12 0.82 -0.13 0.00 0.69 0.00 0.00 54.13 55.40 3iwp s LEU 170 Cb -0.14 -2.78 0.02 0.00 -0.43 0.00 0.00 46.19 42.86 3iwp s LEU 170 CO 0.02 -0.12 0.28 0.28 -0.29 0.00 0.00 176.35 176.52 3iwp s THR 171 N 1.19 0.05 -1.23 3.68 -1.32 -0.14 -3.46 115.64 114.42 3iwp s THR 171 Ca 0.27 -0.44 0.12 0.00 -1.21 0.00 0.00 61.69 60.43 3iwp s THR 171 Cb -0.16 -0.56 0.23 0.00 -1.51 0.00 0.00 72.50 70.51 3iwp s THR 171 CO 0.11 -0.24 1.11 -1.54 -2.21 0.00 0.00 174.62 171.85 3iwp n SER 172 N 1.55 2.58 -0.09 8.08 3.41 -1.19 0.34 113.62 128.31 3iwp n SER 172 Ca -0.20 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3iwp n SER 172 Cb 0.56 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3iwp n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iwp n GLY 173 N 0.64 0.89 2.43 5.00 0.00 -1.26 -2.92 105.19 109.96 3iwp n GLY 173 Ca 0.10 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 3iwp n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ASP 175 N -2.27 0.36 0.27 0.00 2.15 -1.25 -4.96 116.67 110.97 3iwp s ASP 175 Ca 0.00 -1.24 0.02 0.00 0.43 0.00 0.00 52.55 51.76 3iwp s ASP 175 Cb 0.00 0.30 0.67 0.00 -0.30 0.00 0.00 42.92 43.58 3iwp s ASP 175 CO 0.00 -0.74 1.35 -1.20 -0.17 0.00 0.00 175.17 174.41 3iwp n SER 176 N -0.14 -0.09 -3.19 -0.34 7.64 -1.26 -4.69 113.62 111.55 3iwp n SER 176 Ca -0.04 1.46 -0.16 0.00 1.01 0.00 0.00 58.87 61.14 3iwp n SER 176 Cb 0.64 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 3iwp n SER 176 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3iwp s SER 177 N -5.00 1.08 0.11 6.43 1.04 -1.26 -4.73 113.70 111.36 3iwp s SER 177 Ca -0.11 -1.55 -0.22 0.00 0.48 0.00 0.00 55.95 54.56 3iwp s SER 177 Cb 0.25 0.66 -0.11 0.00 0.10 0.00 0.00 66.02 66.93 3iwp s SER 177 CO 0.67 -1.29 1.74 0.00 0.98 0.00 0.00 173.24 175.34 3iwp h ALA 178 N 2.09 0.10 -0.70 5.32 0.00 -1.75 -2.55 119.26 121.78 3iwp h ALA 178 Ca -0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3iwp h ALA 178 Cb 1.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3iwp h ALA 178 CO 0.38 -0.43 0.36 -0.07 0.00 0.00 0.00 179.25 179.49 3iwp h LEU 179 N 0.08 0.90 -0.94 0.00 3.38 -1.95 -0.16 115.31 116.61 3iwp h LEU 179 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3iwp h LEU 179 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3iwp h LEU 179 CO -0.04 0.76 0.34 -0.33 0.09 0.00 0.00 178.44 179.26 3iwp h GLU 180 N 0.97 1.10 -0.54 1.13 4.39 -1.81 -2.00 114.58 117.82 3iwp h GLU 180 Ca 0.24 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3iwp h GLU 180 Cb 0.08 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3iwp h GLU 180 CO -0.03 0.87 0.00 0.41 -1.16 0.00 0.00 179.01 179.09 3iwp n GLY 181 N -1.01 3.08 0.39 -3.84 0.00 -0.97 -4.75 105.19 98.09 3iwp n GLY 181 Ca 0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 3iwp n GLY 181 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iwp h LEU 182 N 3.53 -1.30 -0.69 0.99 6.46 -0.23 -1.72 115.31 122.35 3iwp h LEU 182 Ca 0.00 0.18 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 3iwp h LEU 182 Cb 1.60 0.54 -0.07 0.00 -0.73 0.00 0.00 40.66 42.00 3iwp h LEU 182 CO 0.31 -0.41 0.34 -0.65 -0.62 0.00 0.00 178.44 177.42 3iwp h PRO 183 N -0.45 0.58 -0.04 5.25 0.11 -1.85 0.31 132.00 135.91 3iwp h PRO 183 Ca 0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3iwp h PRO 183 Cb 0.61 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 3iwp h PRO 183 CO -0.43 0.38 -0.04 1.25 -0.21 0.00 0.00 178.00 178.95 3iwp h LEU 184 N 0.59 0.05 0.03 2.35 7.12 -1.74 0.20 115.31 123.91 3iwp h LEU 184 Ca 0.34 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.34 3iwp h LEU 184 Cb 0.34 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 3iwp h LEU 184 CO -0.26 0.10 -0.01 0.40 -0.13 0.00 0.00 178.44 178.54 3iwp h ILE 185 N 0.05 1.43 -0.88 4.05 2.04 -0.28 -2.32 117.51 121.61 3iwp h ILE 185 Ca 0.01 -1.59 0.23 0.00 1.00 0.00 0.00 64.86 64.51 3iwp h ILE 185 Cb 0.11 2.47 -0.14 0.00 -0.74 0.00 0.00 36.82 38.53 3iwp h ILE 185 CO 0.01 0.40 0.27 0.50 0.00 0.00 0.00 178.15 179.32 3iwp h LYS 186 N -0.75 0.23 -0.43 2.37 3.64 0.19 0.17 116.57 122.00 3iwp h LYS 186 Ca -0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3iwp h LYS 186 Cb 0.68 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3iwp h LYS 186 CO 0.01 0.15 0.05 0.00 -2.27 0.00 0.00 179.45 177.39 3iwp h ARG 187 N 0.24 0.72 -0.45 1.90 3.08 -0.63 -2.94 114.38 116.30 3iwp h ARG 187 Ca 0.55 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 60.32 3iwp h ARG 187 Cb 1.11 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3iwp h ARG 187 CO -0.63 0.76 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.90 3iwp h LEU 188 N 0.57 0.76 -0.57 3.04 3.38 -0.26 0.69 115.31 122.92 3iwp h LEU 188 Ca 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3iwp h LEU 188 Cb 0.41 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3iwp h LEU 188 CO 0.01 0.86 0.23 0.40 0.09 0.00 0.00 178.44 180.03 3iwp h ILE 189 N 0.72 1.22 0.00 1.22 2.04 -0.75 -1.57 117.51 120.39 3iwp h ILE 189 Ca 0.13 -0.70 -0.16 0.00 1.00 0.00 0.00 64.86 65.14 3iwp h ILE 189 Cb 0.52 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3iwp h ILE 189 CO 0.03 0.27 -0.75 1.05 0.00 0.00 0.00 178.15 178.75 3iwp h GLU 190 N 0.78 0.00 0.00 2.37 4.11 -1.45 -3.05 114.58 117.35 3iwp h GLU 190 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3iwp h GLU 190 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3iwp h GLU 190 CO -0.02 0.75 0.00 0.94 0.07 0.00 0.00 179.01 180.75 3iwp n GLN 191 N -3.37 0.74 -0.05 1.06 7.27 0.23 -3.43 117.38 119.83 3iwp n GLN 191 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 3iwp n GLN 191 Cb 0.81 -1.13 -0.05 0.00 2.41 0.00 0.00 30.24 32.28 3iwp n GLN 191 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3iwp n ALA 192 N -0.63 1.92 -3.81 1.69 0.00 -0.63 -4.99 120.51 114.06 3iwp n ALA 192 Ca 0.05 -0.44 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 3iwp n ALA 192 Cb 0.02 0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.78 3iwp n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3iwp n LYS 193 N -2.99 -4.61 0.00 0.00 5.02 -1.19 -2.42 118.16 111.97 3iwp n LYS 193 Ca -0.19 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 3iwp n LYS 193 Cb 0.68 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 3iwp n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iwp n GLY 194 N -1.68 2.98 0.00 0.72 0.00 -1.26 -4.93 105.19 101.02 3iwp n GLY 194 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3iwp n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwp n ARG 195 N -2.00 0.00 -4.39 1.61 1.74 -1.02 -4.66 116.66 107.94 3iwp n ARG 195 Ca 0.00 0.81 -0.22 0.00 -0.77 0.00 0.00 57.85 57.67 3iwp n ARG 195 Cb 0.00 -1.32 -0.10 0.00 -1.02 0.00 0.00 32.46 30.01 3iwp n ARG 195 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3iwp s ILE 196 N -2.30 2.06 -0.07 0.55 -4.36 -1.26 -5.02 121.20 110.80 3iwp s ILE 196 Ca 0.00 -2.23 -0.22 0.00 -0.26 0.00 0.00 60.65 57.94 3iwp s ILE 196 Cb 0.00 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 3iwp s ILE 196 CO 0.00 -0.45 0.63 -0.69 0.24 0.00 0.00 174.94 174.66 3iwp s VAL 197 N -2.58 5.06 -0.36 8.37 1.01 0.19 -4.92 120.40 127.18 3iwp s VAL 197 Ca 0.24 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.36 3iwp s VAL 197 Cb -0.04 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3iwp s VAL 197 CO 0.10 0.30 0.35 -0.69 0.00 0.00 0.00 175.10 175.16 3iwp s VAL 198 N 0.58 5.18 -0.38 2.92 1.01 -1.26 -0.63 120.40 127.82 3iwp s VAL 198 Ca 0.33 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 3iwp s VAL 198 Cb -0.17 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3iwp s VAL 198 CO 0.16 -0.13 0.22 -0.04 0.00 0.00 0.00 175.10 175.30 3iwp s MET 199 N 1.97 2.84 0.18 2.72 -1.94 0.13 -4.70 119.30 120.51 3iwp s MET 199 Ca 0.11 -1.07 -0.32 0.00 -1.71 0.00 0.00 55.69 52.70 3iwp s MET 199 Cb -0.17 -3.76 -0.11 0.00 2.01 0.00 0.00 34.83 32.80 3iwp s MET 199 CO 0.12 -0.71 1.72 -2.14 -0.01 0.00 0.00 175.02 174.00 3iwp s PRO 200 N 1.57 4.14 -0.02 2.03 0.02 -1.26 -0.97 135.00 140.52 3iwp s PRO 200 Ca 0.02 2.57 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 3iwp s PRO 200 Cb -0.19 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3iwp s PRO 200 CO 0.07 -0.75 0.08 0.20 -0.33 0.00 0.00 177.00 176.27 3iwp s GLY 201 N 1.51 0.01 0.00 0.52 0.00 0.15 -0.90 107.32 108.61 3iwp s GLY 201 Ca 0.75 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3iwp s GLY 201 CO 0.33 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.00 3iwp n GLY 202 N 2.47 -1.35 2.26 0.20 0.00 -1.26 -3.15 105.19 104.35 3iwp n GLY 202 Ca -0.16 0.60 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 3iwp n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 203 N 0.00 5.48 3.70 -0.02 0.00 -1.26 -4.85 105.19 108.24 3iwp n GLY 203 Ca 0.00 -2.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 3iwp n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwp s ILE 204 N -4.62 2.37 0.30 -0.61 1.01 -1.26 -4.89 121.20 113.50 3iwp s ILE 204 Ca 0.46 0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.21 3iwp s ILE 204 Cb 0.40 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 3iwp s ILE 204 CO -0.02 0.00 0.18 -0.89 0.00 0.00 0.00 174.94 174.21 3iwp s THR 205 N 2.10 0.25 -1.51 2.92 2.01 -1.26 -4.73 115.64 115.42 3iwp s THR 205 Ca 0.78 -2.00 0.12 0.00 0.31 0.00 0.00 61.69 60.90 3iwp s THR 205 Cb -0.47 -2.50 0.22 0.00 0.01 0.00 0.00 72.50 69.76 3iwp s THR 205 CO 0.34 0.00 1.26 -0.90 -0.69 0.00 0.00 174.62 174.63 3iwp n ASP 206 N -0.99 0.00 -0.27 3.53 5.75 -1.26 -0.47 116.55 122.84 3iwp n ASP 206 Ca 0.02 0.05 0.03 0.00 -0.01 0.00 0.00 54.79 54.88 3iwp n ASP 206 Cb 0.65 -0.24 0.03 0.00 -1.03 0.00 0.00 41.12 40.52 3iwp n ASP 206 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3iwp n ARG 207 N -1.24 -0.01 -0.09 0.11 1.85 -1.26 -4.52 116.66 111.49 3iwp n ARG 207 Ca 0.06 -0.92 -0.20 0.00 -1.00 0.00 0.00 57.85 55.79 3iwp n ARG 207 Cb 0.09 -1.13 -0.12 0.00 -1.05 0.00 0.00 32.46 30.24 3iwp n ARG 207 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3iwp n ASN 208 N 0.37 2.02 0.05 2.89 3.02 0.38 -4.81 115.26 119.17 3iwp n ASN 208 Ca 0.04 0.03 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 3iwp n ASN 208 Cb 0.17 -0.60 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 3iwp n ASN 208 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3iwp h LEU 209 N -0.12 -1.68 -0.96 3.41 6.46 -1.02 -0.59 115.31 120.82 3iwp h LEU 209 Ca -0.54 0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.49 3iwp h LEU 209 Cb 1.89 0.64 -0.07 0.00 -0.73 0.00 0.00 40.66 42.38 3iwp h LEU 209 CO -0.08 -0.52 0.61 -0.61 -0.62 0.00 0.00 178.44 177.22 3iwp h GLN 210 N -0.66 1.03 -0.22 1.25 4.15 -1.87 0.71 115.11 119.50 3iwp h GLN 210 Ca 0.02 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 3iwp h GLN 210 Cb 0.72 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3iwp h GLN 210 CO -0.37 0.68 -0.48 0.00 -1.93 0.00 0.00 178.83 176.74 3iwp h ARG 211 N 1.07 0.57 -0.02 1.69 3.08 -1.70 -2.61 114.38 116.46 3iwp h ARG 211 Ca 0.43 -0.32 -0.26 0.00 0.07 0.00 0.00 59.98 59.90 3iwp h ARG 211 Cb 0.25 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.34 3iwp h ARG 211 CO -0.20 0.92 -1.00 0.82 -1.07 0.00 0.00 179.97 179.44 3iwp h ILE 212 N 0.45 1.29 0.00 2.04 2.04 0.25 -1.95 117.51 121.63 3iwp h ILE 212 Ca 0.02 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.66 3iwp h ILE 212 Cb 1.00 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3iwp h ILE 212 CO 0.09 0.69 0.00 0.18 0.00 0.00 0.00 178.15 179.11 3iwp n LEU 213 N -3.85 0.54 -0.23 1.44 4.77 0.11 -2.79 117.00 116.99 3iwp n LEU 213 Ca -0.10 0.57 0.32 0.00 -0.03 0.00 0.00 56.01 56.76 3iwp n LEU 213 Cb 0.86 -0.24 0.69 0.00 -2.33 0.00 0.00 43.42 42.40 3iwp n LEU 213 CO 0.55 -0.24 1.29 -0.33 -1.33 0.00 0.00 177.39 177.33 3iwp h GLU 214 N 0.00 0.00 -0.01 3.23 5.08 -1.64 0.41 114.58 121.66 3iwp h GLU 214 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iwp h GLU 214 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iwp h GLU 214 CO 0.00 0.00 -0.05 0.41 -1.00 0.00 0.00 179.01 178.37 3iwp n GLY 215 N -1.70 -0.64 0.00 -3.84 0.00 -0.73 -4.34 105.19 93.93 3iwp n GLY 215 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3iwp n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iwp n SER 216 N -0.59 0.00 -0.58 1.61 3.41 0.11 -4.75 113.62 112.82 3iwp n SER 216 Ca 0.19 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3iwp n SER 216 Cb 0.26 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3iwp n SER 216 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iwp n GLY 217 N 0.00 0.58 3.78 5.00 0.00 0.79 -4.63 105.19 110.71 3iwp n GLY 217 Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 3iwp n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 218 N -2.27 2.99 -0.24 4.61 0.00 -1.26 -4.99 121.76 120.60 3iwp s ALA 218 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 3iwp s ALA 218 Cb 0.00 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 3iwp s ALA 218 CO 0.00 -0.37 -0.16 -2.37 0.00 0.00 0.00 175.76 172.85 3iwp n THR 219 N -0.45 1.54 -4.56 0.00 5.66 -1.26 -4.92 114.28 110.29 3iwp n THR 219 Ca 0.07 -0.53 -0.33 0.00 -3.05 0.00 0.00 64.05 60.20 3iwp n THR 219 Cb 0.50 -1.56 -0.11 0.00 -1.55 0.00 0.00 70.33 67.61 3iwp n THR 219 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3iwp s GLU 220 N -2.52 2.71 0.06 1.09 2.02 -1.26 -0.59 118.70 120.20 3iwp s GLU 220 Ca -0.34 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.07 3iwp s GLU 220 Cb 0.10 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 3iwp s GLU 220 CO 0.60 0.65 -0.06 -0.59 0.02 0.00 0.00 175.26 175.88 3iwp s PHE 221 N -0.87 0.64 -0.10 1.61 -0.71 0.68 -4.01 117.98 115.21 3iwp s PHE 221 Ca 0.14 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.34 3iwp s PHE 221 Cb -0.11 -0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 41.29 3iwp s PHE 221 CO 0.03 -0.17 -0.17 -1.58 -1.34 0.00 0.00 175.22 172.00 3iwp s HIS 222 N -2.44 2.70 0.04 3.49 2.46 -0.08 -0.25 115.29 121.23 3iwp s HIS 222 Ca -0.02 -0.65 0.00 0.00 0.47 0.00 0.00 55.06 54.86 3iwp s HIS 222 Cb -0.03 -1.76 -0.00 0.00 -0.13 0.00 0.00 32.58 30.66 3iwp s HIS 222 CO -0.03 -0.19 0.05 0.00 -2.47 0.00 0.00 174.74 172.10 3iwp s SER 224 N -1.29 -0.47 -1.01 0.00 1.04 -1.26 -2.54 113.70 108.17 3iwp s SER 224 Ca 0.04 -2.02 -0.23 0.00 0.48 0.00 0.00 55.95 54.22 3iwp s SER 224 Cb 0.00 1.16 -0.03 0.00 0.10 0.00 0.00 66.02 67.25 3iwp s SER 224 CO 0.03 -0.11 1.83 0.00 0.98 0.00 0.00 173.24 175.97 3iwp s ALA 225 N 0.76 2.03 0.36 5.32 0.00 -1.26 -4.93 121.76 124.04 3iwp s ALA 225 Ca 0.29 -1.90 0.08 0.00 0.00 0.00 0.00 51.96 50.43 3iwp s ALA 225 Cb -0.00 -4.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.49 3iwp s ALA 225 CO -0.09 -4.54 0.19 1.03 0.00 0.00 0.00 175.76 172.35 3iwp s ARG 226 N 6.27 2.39 -0.06 0.00 0.52 -1.26 -1.14 118.95 125.68 3iwp s ARG 226 Ca 0.64 -1.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.05 3iwp s ARG 226 Cb -0.03 -2.19 0.04 0.00 0.52 0.00 0.00 34.95 33.29 3iwp s ARG 226 CO 0.01 0.02 0.47 -1.54 0.02 0.00 0.00 175.30 174.28 3iwp s SER 227 N -3.91 -0.41 0.55 0.23 1.04 -0.69 -4.80 113.70 105.71 3iwp s SER 227 Ca 0.40 0.46 -0.19 0.00 0.48 0.00 0.00 55.95 57.10 3iwp s SER 227 Cb -0.02 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 3iwp s SER 227 CO 0.24 -0.45 1.12 0.42 0.98 0.00 0.00 173.24 175.54 3iwp s THR 228 N -0.99 3.26 0.08 2.02 -4.23 -1.26 -2.54 115.64 111.98 3iwp s THR 228 Ca -0.10 0.75 0.04 0.00 -1.18 0.00 0.00 61.69 61.20 3iwp s THR 228 Cb -0.03 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 3iwp s THR 228 CO 0.06 -0.20 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.68 3iwp s ARG 229 N -3.41 0.81 0.05 3.99 0.52 0.03 -4.93 118.95 116.01 3iwp s ARG 229 Ca 0.71 -1.03 -0.21 0.00 -0.52 0.00 0.00 55.73 54.67 3iwp s ARG 229 Cb -0.22 -0.66 -0.06 0.00 0.52 0.00 0.00 34.95 34.53 3iwp s ARG 229 CO 0.28 0.13 0.64 0.34 0.02 0.00 0.00 175.30 176.71 3iwp s ASP 230 N -2.05 7.10 0.37 0.23 3.68 -1.26 0.11 116.67 124.84 3iwp s ASP 230 Ca 0.01 1.31 -0.26 0.00 2.13 0.00 0.00 52.55 55.73 3iwp s ASP 230 Cb -0.07 -2.40 -0.09 0.00 -1.45 0.00 0.00 42.92 38.91 3iwp s ASP 230 CO 0.01 0.16 1.12 -0.94 0.13 0.00 0.00 175.17 175.65 3iwp s SER 231 N -0.59 6.78 0.00 -0.34 1.04 -0.40 -4.89 113.70 115.29 3iwp s SER 231 Ca 0.32 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.00 3iwp s SER 231 Cb -0.20 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.31 3iwp s SER 231 CO 0.20 -0.49 1.29 0.61 0.98 0.00 0.00 173.24 175.84 3iwp n GLY 232 N 0.69 1.98 3.66 7.32 0.00 -1.26 -4.77 105.19 112.82 3iwp n GLY 232 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3iwp n GLY 232 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iwp s MET 233 N 0.19 4.18 -0.12 1.61 -1.94 -1.26 -4.96 119.30 117.01 3iwp s MET 233 Ca 0.00 0.38 -0.15 0.00 -1.71 0.00 0.00 55.69 54.21 3iwp s MET 233 Cb 0.00 -3.56 -0.26 0.00 2.01 0.00 0.00 34.83 33.02 3iwp s MET 233 CO 0.00 -0.14 0.48 0.87 -0.01 0.00 0.00 175.02 176.22 3iwp h LYS 234 N 7.46 0.21 -5.15 2.03 1.57 -2.04 -3.45 116.57 117.20 3iwp h LYS 234 Ca -0.34 -0.35 -0.65 0.00 -1.87 0.00 0.00 60.65 57.44 3iwp h LYS 234 Cb 1.15 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 33.44 3iwp h LYS 234 CO 0.74 1.17 -0.13 -0.06 -0.57 0.00 0.00 179.45 180.60 3iwp s PHE 235 N -2.47 3.20 -0.04 -1.35 0.40 -1.26 -5.04 117.98 111.42 3iwp s PHE 235 Ca -0.21 0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 3iwp s PHE 235 Cb 0.05 -2.82 0.01 0.00 0.51 0.00 0.00 43.02 40.77 3iwp s PHE 235 CO 0.74 -0.48 0.10 1.03 0.70 0.00 0.00 175.22 177.31 3iwp s ARG 236 N 2.26 0.11 -0.09 0.44 0.52 -1.26 -5.15 118.95 115.77 3iwp s ARG 236 Ca 0.16 0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.53 3iwp s ARG 236 Cb -0.16 0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.32 3iwp s ARG 236 CO 0.12 -0.03 -0.10 1.21 0.02 0.00 0.00 175.30 176.52 3iwp s ASN 237 N 0.15 4.30 -0.85 0.23 2.47 -1.26 -5.09 114.94 114.90 3iwp s ASN 237 Ca -0.01 -0.17 0.01 0.00 0.42 0.00 0.00 52.86 53.11 3iwp s ASN 237 Cb -0.02 -1.27 0.26 0.00 -1.45 0.00 0.00 41.25 38.76 3iwp s ASN 237 CO -0.00 0.28 0.96 -1.20 -3.72 0.00 0.00 177.10 173.42 3iwp n SER 238 N 2.78 4.64 -2.70 -4.21 7.64 -1.26 -5.10 113.62 115.41 3iwp n SER 238 Ca -0.18 -3.34 -0.07 0.00 1.01 0.00 0.00 58.87 56.30 3iwp n SER 238 Cb 0.53 -0.96 0.10 0.00 -1.01 0.00 0.00 64.21 62.87 3iwp n SER 238 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3iwp n SER 239 N 1.45 -1.89 0.00 6.43 3.41 -1.26 -5.24 113.62 116.52 3iwp n SER 239 Ca 0.26 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 3iwp n SER 239 Cb 0.37 1.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 3iwp n SER 239 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3iwp n SER 249 N -0.38 0.00 0.09 4.04 2.88 -1.26 -5.25 113.62 113.74 3iwp n SER 249 Ca -0.04 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.62 3iwp n SER 249 Cb 0.80 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.71 3iwp n SER 249 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3iwp n GLU 250 N 0.00 0.16 -0.13 -1.46 1.02 -1.26 -3.51 120.64 115.46 3iwp n GLU 250 Ca 0.00 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 3iwp n GLU 250 Cb 0.00 -1.75 0.15 0.00 -0.02 0.00 0.00 31.44 29.82 3iwp n GLU 250 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3iwp n TYR 251 N -2.04 0.01 -4.06 -0.32 4.01 -1.26 -5.02 117.16 108.48 3iwp n TYR 251 Ca 0.04 -1.05 -0.22 0.00 -0.16 0.00 0.00 57.90 56.50 3iwp n TYR 251 Cb 0.28 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 3iwp n TYR 251 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3iwp s SER 252 N -2.91 5.08 0.17 7.72 1.04 -1.23 -1.28 113.70 122.29 3iwp s SER 252 Ca 0.33 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.32 3iwp s SER 252 Cb 0.29 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 3iwp s SER 252 CO 0.02 -0.18 -0.16 -0.76 0.98 0.00 0.00 173.24 173.13 3iwp s LEU 253 N -3.86 2.48 -0.27 2.42 1.43 0.30 -4.86 118.68 116.32 3iwp s LEU 253 Ca 0.36 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3iwp s LEU 253 Cb -0.06 -0.72 0.08 0.00 0.03 0.00 0.00 46.19 45.53 3iwp s LEU 253 CO 0.24 -0.11 0.05 -0.75 0.23 0.00 0.00 176.35 176.01 3iwp s LYS 254 N -3.10 0.95 -0.05 1.70 2.47 -1.26 -0.79 119.74 119.65 3iwp s LYS 254 Ca 0.17 -0.96 0.02 0.00 -1.56 0.00 0.00 55.97 53.64 3iwp s LYS 254 Cb -0.04 -2.24 0.01 0.00 -1.46 0.00 0.00 37.83 34.11 3iwp s LYS 254 CO 0.06 -0.82 -0.08 0.08 0.16 0.00 0.00 175.35 174.75 3iwp s VAL 255 N 1.57 0.81 0.03 4.02 1.01 -1.05 -4.95 120.40 121.84 3iwp s VAL 255 Ca 0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3iwp s VAL 255 Cb -0.18 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 3iwp s VAL 255 CO -0.16 0.28 1.85 0.42 0.00 0.00 0.00 175.10 177.49 3iwp s THR 256 N 0.65 3.09 -0.17 3.92 -4.23 -1.26 -1.71 115.64 115.93 3iwp s THR 256 Ca -0.11 0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.41 3iwp s THR 256 Cb -0.14 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 3iwp s THR 256 CO 0.02 -0.02 0.66 -0.62 -0.54 0.00 0.00 174.62 174.12 3iwp s ASP 257 N 3.77 6.77 0.47 3.99 2.15 -0.29 -4.77 116.67 128.76 3iwp s ASP 257 Ca 0.83 0.93 0.13 0.00 0.43 0.00 0.00 52.55 54.87 3iwp s ASP 257 Cb -0.41 -2.37 1.10 0.00 -0.30 0.00 0.00 42.92 40.94 3iwp s ASP 257 CO 0.37 -0.25 2.09 1.62 -0.17 0.00 0.00 175.17 178.83 3iwp h VAL 258 N 5.09 1.02 0.57 1.11 3.04 -1.89 -2.66 116.25 122.54 3iwp h VAL 258 Ca -0.33 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.25 3iwp h VAL 258 Cb 1.15 0.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3iwp h VAL 258 CO 0.78 0.05 -0.28 0.74 -1.01 0.00 0.00 177.57 177.85 3iwp h THR 259 N 0.25 0.30 0.00 3.17 2.02 -1.94 -2.78 112.91 113.93 3iwp h THR 259 Ca 0.10 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3iwp h THR 259 Cb 0.08 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3iwp h THR 259 CO -0.02 0.04 0.00 2.29 0.37 0.00 0.00 175.52 178.20 3iwp n LYS 260 N -5.33 0.43 0.02 6.66 2.85 -1.20 -1.56 118.16 120.03 3iwp n LYS 260 Ca -0.11 0.01 -0.17 0.00 -1.05 0.00 0.00 58.31 56.98 3iwp n LYS 260 Cb 0.34 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.15 3iwp n LYS 260 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3iwp h VAL 261 N 0.00 1.31 0.00 0.58 2.07 -1.51 -3.09 116.25 115.61 3iwp h VAL 261 Ca 0.00 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.32 3iwp h VAL 261 Cb 0.27 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3iwp h VAL 261 CO 0.00 0.67 -0.16 -0.09 0.02 0.00 0.00 177.57 178.01 3iwp h ARG 262 N 0.41 0.00 0.10 1.57 2.43 -0.99 -2.41 114.38 115.50 3iwp h ARG 262 Ca -0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3iwp h ARG 262 Cb 1.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 3iwp h ARG 262 CO 0.17 0.16 -0.05 1.15 -1.51 0.00 0.00 179.97 179.89 3iwp h THR 263 N 0.00 0.51 -0.72 0.20 2.02 -1.51 -2.71 112.91 110.70 3iwp h THR 263 Ca -0.00 -1.20 0.15 0.00 0.77 0.00 0.00 66.41 66.12 3iwp h THR 263 Cb 0.47 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 67.70 3iwp h THR 263 CO 0.02 0.16 0.20 -0.07 0.37 0.00 0.00 175.52 176.20 3iwp h LEU 264 N -0.99 0.08 -0.74 2.58 -0.00 -1.53 0.19 115.31 114.90 3iwp h LEU 264 Ca -0.01 0.13 0.04 0.00 -0.00 0.00 0.00 57.88 58.03 3iwp h LEU 264 Cb 0.37 0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 41.14 3iwp h LEU 264 CO 0.02 0.00 0.46 -1.13 -0.00 0.00 0.00 178.44 177.80 3iwp h ASN 265 N 0.31 0.75 0.23 -0.43 -1.24 -1.54 -2.52 115.58 111.15 3iwp h ASN 265 Ca 0.40 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.22 3iwp h ASN 265 Cb 0.66 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 3iwp h ASN 265 CO -0.47 0.51 -0.76 0.00 -1.29 0.00 0.00 177.43 175.42 3iwp h ALA 266 N 1.32 0.53 -0.83 1.57 0.00 -0.82 -2.92 119.26 118.12 3iwp h ALA 266 Ca 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3iwp h ALA 266 Cb 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3iwp h ALA 266 CO -0.12 0.76 0.52 0.82 0.00 0.00 0.00 179.25 181.23 3iwp h ILE 267 N 0.29 1.22 -0.41 0.00 2.04 -0.47 -2.26 117.51 117.92 3iwp h ILE 267 Ca -0.04 -0.46 -0.11 0.00 1.00 0.00 0.00 64.86 65.25 3iwp h ILE 267 Cb 1.35 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3iwp h ILE 267 CO 0.13 0.23 -0.19 0.00 0.00 0.00 0.00 178.15 178.32 3iwp h ALA 268 N 1.28 0.58 -0.21 1.87 0.00 -1.48 -3.24 119.26 118.06 3iwp h ALA 268 Ca 0.30 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iwp h ALA 268 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iwp h ALA 268 CO -0.06 0.53 0.12 -0.22 0.00 0.00 0.00 179.25 179.62 3iwp h LYS 269 N 0.67 0.28 0.00 0.00 1.63 -1.37 -2.59 116.57 115.20 3iwp h LYS 269 Ca 0.09 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3iwp h LYS 269 Cb 0.75 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 3iwp h LYS 269 CO 0.06 0.24 0.00 0.09 -3.45 0.00 0.00 179.45 176.39 3iwp n ASN 270 N -4.91 0.00 -3.52 4.20 3.02 -0.86 -3.31 115.26 109.88 3iwp n ASN 270 Ca -0.03 -0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.11 3iwp n ASN 270 Cb 0.06 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 3iwp n ASN 270 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3iwp n ILE 271 N -1.15 5.17 -1.74 2.41 5.41 -0.98 -5.10 119.36 123.38 3iwp n ILE 271 Ca 0.04 -4.36 0.00 0.00 1.00 0.00 0.00 62.75 59.43 3iwp n ILE 271 Cb 0.04 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 36.88 3iwp n ILE 271 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44