#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwp s LEU 27 N 0.00 2.51 -0.17 4.37 1.43 -0.04 -4.97 118.68 121.82 3iwp s LEU 27 Ca 0.00 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3iwp s LEU 27 Cb 0.00 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 3iwp s LEU 27 CO 0.00 0.23 -0.06 -0.32 0.23 0.00 0.00 176.35 176.43 3iwp s MET 28 N -0.07 3.53 -0.01 1.70 1.75 -1.26 -1.57 119.30 123.37 3iwp s MET 28 Ca -0.04 -0.59 0.08 0.00 -1.25 0.00 0.00 55.69 53.89 3iwp s MET 28 Cb -0.14 -2.87 -0.02 0.00 2.84 0.00 0.00 34.83 34.63 3iwp s MET 28 CO 0.04 0.12 -0.25 -2.00 -0.65 0.00 0.00 175.02 172.29 3iwp s GLU 29 N 0.64 2.12 -0.04 4.11 2.12 -0.35 -1.44 118.70 125.87 3iwp s GLU 29 Ca -0.04 -0.92 0.01 0.00 0.36 0.00 0.00 54.97 54.38 3iwp s GLU 29 Cb -0.15 -2.07 0.02 0.00 0.26 0.00 0.00 34.13 32.19 3iwp s GLU 29 CO 0.02 0.56 -0.02 0.08 -0.54 0.00 0.00 175.26 175.37 3iwp s VAL 30 N -0.65 0.36 0.31 3.70 1.01 -0.17 -0.99 120.40 123.97 3iwp s VAL 30 Ca 0.10 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3iwp s VAL 30 Cb -0.10 -0.43 -0.10 0.00 0.00 0.00 0.00 36.38 35.75 3iwp s VAL 30 CO -0.00 0.19 1.24 0.00 0.00 0.00 0.00 175.10 176.53 3iwp s VAL 32 N -1.13 0.00 0.00 0.00 1.01 0.51 -4.89 120.40 115.90 3iwp s VAL 32 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3iwp s VAL 32 Cb -0.37 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3iwp s VAL 32 CO 0.49 -0.01 0.00 0.47 0.00 0.00 0.00 175.10 176.05 3iwp n ASP 33 N 3.03 0.00 -1.29 3.32 8.00 -1.26 -1.78 116.55 126.56 3iwp n ASP 33 Ca -0.12 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3iwp n ASP 33 Cb 0.60 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3iwp n ASP 33 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iwp n SER 34 N -1.53 0.63 -0.06 -2.24 3.41 -1.26 -4.55 113.62 108.04 3iwp n SER 34 Ca 0.00 -0.65 -0.16 0.00 -0.26 0.00 0.00 58.87 57.81 3iwp n SER 34 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3iwp n SER 34 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3iwp h VAL 35 N 0.21 1.28 -0.75 -3.33 2.07 -1.98 -2.34 116.25 111.41 3iwp h VAL 35 Ca 0.00 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.65 3iwp h VAL 35 Cb 0.00 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3iwp h VAL 35 CO 0.00 0.59 0.28 -0.33 0.02 0.00 0.00 177.57 178.12 3iwp h GLU 36 N 0.62 1.13 0.00 1.57 5.08 -2.00 0.25 114.58 121.23 3iwp h GLU 36 Ca -0.01 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3iwp h GLU 36 Cb 1.25 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 3iwp h GLU 36 CO 0.14 0.93 -0.08 0.77 -1.00 0.00 0.00 179.01 179.76 3iwp h SER 37 N 1.10 0.00 0.13 1.42 0.02 -1.88 -2.71 113.55 111.63 3iwp h SER 37 Ca 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3iwp h SER 37 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3iwp h SER 37 CO -0.02 0.08 -0.06 0.00 -1.14 0.00 0.00 176.83 175.69 3iwp h ALA 38 N 1.92 -0.18 -0.11 3.77 0.00 -0.55 -3.03 119.26 121.08 3iwp h ALA 38 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3iwp h ALA 38 Cb 0.61 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3iwp h ALA 38 CO 0.01 -0.26 -0.42 0.28 0.00 0.00 0.00 179.25 178.86 3iwp h VAL 39 N -0.85 0.00 -0.68 0.00 2.07 -0.98 -2.70 116.25 113.10 3iwp h VAL 39 Ca -0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.64 3iwp h VAL 39 Cb 0.54 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.18 3iwp h VAL 39 CO 0.03 0.00 -0.18 0.78 0.02 0.00 0.00 177.57 178.22 3iwp h ASN 40 N -0.44 -0.67 -0.75 0.57 2.35 -1.62 0.47 115.58 115.50 3iwp h ASN 40 Ca 0.03 0.21 0.13 0.00 -0.55 0.00 0.00 56.30 56.11 3iwp h ASN 40 Cb 0.52 0.43 -0.13 0.00 0.05 0.00 0.00 38.32 39.19 3iwp h ASN 40 CO -0.34 -0.23 -0.32 0.00 -1.65 0.00 0.00 177.43 174.89 3iwp h ALA 41 N 1.65 0.14 0.02 -0.83 0.00 -1.34 0.33 119.26 119.24 3iwp h ALA 41 Ca 0.33 0.23 -0.29 0.00 0.00 0.00 0.00 54.91 55.18 3iwp h ALA 41 Cb 0.51 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 3iwp h ALA 41 CO -0.71 -0.60 -1.60 1.05 0.00 0.00 0.00 179.25 177.39 3iwp h GLU 42 N -0.08 0.05 -1.11 0.00 4.11 -1.39 0.26 114.58 116.42 3iwp h GLU 42 Ca 0.30 -0.09 0.31 0.00 0.07 0.00 0.00 59.36 59.95 3iwp h GLU 42 Cb 0.57 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 3iwp h GLU 42 CO -0.79 0.71 0.71 -0.09 0.07 0.00 0.00 179.01 179.62 3iwp h ARG 43 N 0.01 0.30 0.00 1.06 2.43 0.75 0.14 114.38 119.08 3iwp h ARG 43 Ca -0.25 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3iwp h ARG 43 Cb 1.98 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.46 3iwp h ARG 43 CO 0.10 0.20 -0.99 0.41 -1.51 0.00 0.00 179.97 178.17 3iwp n GLY 44 N -1.49 -1.33 0.00 2.80 0.00 0.11 -4.98 105.19 100.31 3iwp n GLY 44 Ca 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.29 1.47 3.74 -0.02 0.00 0.50 -3.51 105.19 108.66 3iwp n GLY 45 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.47 3.48 0.21 4.61 0.00 0.06 -4.92 121.76 123.72 3iwp s ALA 46 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.99 3iwp s ALA 46 Cb 0.00 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 19.82 3iwp s ALA 46 CO 0.00 -0.46 1.50 -0.44 0.00 0.00 0.00 175.76 176.36 3iwp h ASP 47 N 5.45 0.40 -3.75 0.00 5.19 -1.58 -3.42 116.42 118.72 3iwp h ASP 47 Ca -0.44 -0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 55.64 3iwp h ASP 47 Cb 1.21 -0.12 -0.23 0.00 0.18 0.00 0.00 39.33 40.37 3iwp h ASP 47 CO 0.77 0.94 -0.11 -0.60 -3.12 0.00 0.00 179.24 177.12 3iwp s ARG 48 N -3.74 0.60 -0.06 3.56 3.52 -0.76 -4.31 118.95 117.76 3iwp s ARG 48 Ca -0.05 0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 56.20 3iwp s ARG 48 Cb 0.11 0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 3iwp s ARG 48 CO 0.82 -0.09 0.37 0.42 -0.81 0.00 0.00 175.30 176.01 3iwp s ILE 49 N 0.56 5.15 -0.12 4.11 1.01 -1.04 -0.99 121.20 129.87 3iwp s ILE 49 Ca -0.02 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 3iwp s ILE 49 Cb -0.04 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3iwp s ILE 49 CO -0.03 0.51 -0.06 -0.70 0.00 0.00 0.00 174.94 174.66 3iwp s GLU 50 N -0.54 3.29 -0.54 2.79 2.12 0.76 -1.88 118.70 124.70 3iwp s GLU 50 Ca 0.22 -0.56 -0.22 0.00 0.36 0.00 0.00 54.97 54.77 3iwp s GLU 50 Cb -0.15 -2.75 0.05 0.00 0.26 0.00 0.00 34.13 31.54 3iwp s GLU 50 CO 0.10 0.39 0.81 -0.51 -0.54 0.00 0.00 175.26 175.52 3iwp s LEU 51 N -0.08 4.48 -0.16 2.70 1.43 -0.69 -0.36 118.68 126.00 3iwp s LEU 51 Ca 0.01 -0.62 0.17 0.00 -1.03 0.00 0.00 54.13 52.66 3iwp s LEU 51 Cb -0.13 -2.65 0.41 0.00 0.03 0.00 0.00 46.19 43.85 3iwp s LEU 51 CO 0.03 -1.10 1.29 0.00 0.23 0.00 0.00 176.35 176.80 3iwp n SER 53 N -1.01 2.07 0.00 0.00 3.41 -1.21 -3.38 113.62 113.51 3iwp n SER 53 Ca 0.19 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 3iwp n SER 53 Cb 0.77 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3iwp n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iwp n GLY 54 N 5.18 0.94 0.24 5.00 0.00 -1.26 -3.64 105.19 111.64 3iwp n GLY 54 Ca 0.34 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 0.00 -0.52 0.99 3.38 -1.88 -0.66 115.31 116.62 3iwp h LEU 55 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3iwp h LEU 55 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3iwp h LEU 55 CO 0.00 0.09 -0.01 0.77 0.09 0.00 0.00 178.44 179.38 3iwp h SER 56 N 0.00 -0.24 0.51 -0.43 4.64 -1.97 0.14 113.55 116.21 3iwp h SER 56 Ca -0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3iwp h SER 56 Cb 0.76 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3iwp h SER 56 CO 0.01 -0.09 -0.16 1.21 -0.87 0.00 0.00 176.83 176.94 3iwp n GLU 57 N -5.25 0.43 0.00 4.77 4.07 -1.15 -4.93 120.64 118.58 3iwp n GLU 57 Ca 0.06 -0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 3iwp n GLU 57 Cb 0.29 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 3iwp n GLU 57 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iwp n GLY 58 N 1.36 0.56 0.00 8.31 0.00 0.50 -4.92 105.19 111.01 3iwp n GLY 58 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.54 3.15 3.24 -0.02 0.00 -0.27 -4.85 105.19 104.89 3iwp n GLY 59 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 1.38 -0.21 2.61 2.01 -1.22 -4.80 115.64 115.42 3iwp s THR 60 Ca 0.00 -1.64 -0.37 0.00 0.31 0.00 0.00 61.69 59.99 3iwp s THR 60 Cb 0.00 -1.48 -0.13 0.00 0.01 0.00 0.00 72.50 70.90 3iwp s THR 60 CO 0.00 -0.33 1.86 0.41 -0.69 0.00 0.00 174.62 175.88 3iwp n THR 61 N 0.72 0.41 -1.64 -0.82 -1.04 -0.90 -3.96 114.28 107.06 3iwp n THR 61 Ca -0.17 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.05 61.43 3iwp n THR 61 Cb 0.56 -1.56 0.05 0.00 -1.82 0.00 0.00 70.33 67.57 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 4.15 2.80 0.66 -2.82 0.04 -1.26 -4.95 135.00 133.62 3iwp s PRO 62 Ca 0.98 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 3iwp s PRO 62 Cb -0.88 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3iwp s PRO 62 CO 0.58 -1.16 1.13 -1.54 0.04 0.00 0.00 177.00 176.05 3iwp s SER 63 N -3.94 5.01 0.34 6.66 1.04 -1.26 -4.95 113.70 116.61 3iwp s SER 63 Ca 0.58 2.08 0.14 0.00 0.48 0.00 0.00 55.95 59.24 3iwp s SER 63 Cb -0.13 -2.56 0.62 0.00 0.10 0.00 0.00 66.02 64.04 3iwp s SER 63 CO 0.54 -1.70 1.74 0.24 0.98 0.00 0.00 173.24 175.04 3iwp h MET 64 N 0.09 0.00 -0.25 4.02 2.86 -1.99 -3.03 114.93 116.64 3iwp h MET 64 Ca -0.47 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.12 3iwp h MET 64 Cb 1.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 3iwp h MET 64 CO 0.54 0.45 -0.03 0.78 1.06 0.00 0.00 176.91 179.70 3iwp h GLY 65 N 1.63 0.42 0.71 8.32 0.00 -1.99 0.43 103.07 112.59 3iwp h GLY 65 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3iwp h GLY 65 CO 0.06 0.22 -0.00 -2.08 0.00 0.00 0.00 176.54 174.74 3iwp h VAL 66 N 0.38 1.26 -0.23 4.60 2.07 -1.93 -2.48 116.25 119.91 3iwp h VAL 66 Ca 0.08 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.85 3iwp h VAL 66 Cb 0.31 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3iwp h VAL 66 CO 0.01 0.21 0.05 0.25 0.02 0.00 0.00 177.57 178.11 3iwp h LEU 67 N -0.23 0.02 0.22 2.57 6.46 -1.24 0.19 115.31 123.30 3iwp h LEU 67 Ca 0.01 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3iwp h LEU 67 Cb 0.34 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 3iwp h LEU 67 CO 0.00 0.04 -0.39 1.56 -0.62 0.00 0.00 178.44 179.04 3iwp h GLN 68 N 0.14 -0.62 -0.58 1.25 4.20 -0.23 0.62 115.11 119.88 3iwp h GLN 68 Ca 0.10 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3iwp h GLN 68 Cb 0.10 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3iwp h GLN 68 CO -0.14 -0.42 0.15 0.28 -0.67 0.00 0.00 178.83 178.04 3iwp h VAL 69 N -0.65 1.23 0.42 -0.54 2.07 -1.29 -1.97 116.25 115.51 3iwp h VAL 69 Ca -0.02 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3iwp h VAL 69 Cb 0.60 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3iwp h VAL 69 CO -0.14 0.31 -0.20 0.58 0.02 0.00 0.00 177.57 178.14 3iwp h VAL 70 N 0.86 0.59 -0.32 2.57 2.07 -0.54 -0.79 116.25 120.70 3iwp h VAL 70 Ca 0.19 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3iwp h VAL 70 Cb 0.29 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3iwp h VAL 70 CO -0.00 0.04 0.27 0.50 0.02 0.00 0.00 177.57 178.40 3iwp h LYS 71 N -0.68 0.00 0.15 1.57 3.11 -0.57 -2.01 116.57 118.15 3iwp h LYS 71 Ca -0.06 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.45 3iwp h LYS 71 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 3iwp h LYS 71 CO 0.09 0.00 -1.69 1.96 -2.81 0.00 0.00 179.45 177.00 3iwp h GLN 72 N 0.00 0.32 -0.15 1.90 4.20 -1.15 -3.37 115.11 116.87 3iwp h GLN 72 Ca 0.15 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3iwp h GLN 72 Cb 0.70 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3iwp h GLN 72 CO -0.00 1.21 0.00 -1.13 -0.67 0.00 0.00 178.83 178.24 3iwp n SER 73 N -3.52 1.76 -3.88 1.46 3.41 -0.32 -4.87 113.62 107.66 3iwp n SER 73 Ca -0.22 -1.69 -0.11 0.00 -0.26 0.00 0.00 58.87 56.58 3iwp n SER 73 Cb 1.06 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.81 0.04 -0.45 -3.33 1.01 -0.96 -4.91 120.40 109.99 3iwp s VAL 74 Ca 0.33 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.12 3iwp s VAL 74 Cb 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 36.38 36.25 3iwp s VAL 74 CO 0.28 -0.17 0.43 0.00 0.00 0.00 0.00 175.10 175.64 3iwp n GLN 75 N 2.48 3.14 -1.97 2.72 6.02 -1.26 -4.73 117.38 123.77 3iwp n GLN 75 Ca -0.16 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.00 56.51 3iwp n GLN 75 Cb 0.58 -1.03 0.01 0.00 1.02 0.00 0.00 30.24 30.81 3iwp n GLN 75 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3iwp s ILE 76 N -2.09 4.72 0.54 5.09 -4.36 -1.26 -5.01 121.20 118.82 3iwp s ILE 76 Ca 0.03 0.83 -0.22 0.00 -0.26 0.00 0.00 60.65 61.03 3iwp s ILE 76 Cb 0.08 -3.86 -0.05 0.00 1.25 0.00 0.00 42.46 39.87 3iwp s ILE 76 CO 0.44 -1.10 1.32 -0.81 0.24 0.00 0.00 174.94 175.03 3iwp n PRO 77 N -2.64 1.65 -3.86 0.37 -0.04 -1.26 -4.86 135.00 124.36 3iwp n PRO 77 Ca 0.05 0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 63.82 3iwp n PRO 77 Cb 0.54 -2.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.34 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 -1.29 1.60 0.59 0.52 1.01 -1.26 -2.51 120.40 119.06 3iwp s VAL 78 Ca 0.71 -2.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 3iwp s VAL 78 Cb -0.43 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3iwp s VAL 78 CO 0.50 -0.68 1.09 -0.36 0.00 0.00 0.00 175.10 175.65 3iwp s PHE 79 N 1.07 2.80 -0.10 5.22 2.99 -0.79 -1.84 117.98 127.33 3iwp s PHE 79 Ca 0.12 1.54 0.02 0.00 0.00 0.00 0.00 56.93 58.61 3iwp s PHE 79 Cb -0.19 -3.13 0.01 0.00 0.00 0.00 0.00 43.02 39.71 3iwp s PHE 79 CO -0.14 -1.36 -0.16 0.08 -0.00 0.00 0.00 175.22 173.65 3iwp s VAL 80 N -2.21 1.51 0.06 -0.44 1.01 0.04 -1.71 120.40 118.67 3iwp s VAL 80 Ca 0.67 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 3iwp s VAL 80 Cb -0.19 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 3iwp s VAL 80 CO 0.34 0.44 1.22 -0.32 0.00 0.00 0.00 175.10 176.78 3iwp s MET 81 N 0.86 4.41 -0.28 2.72 1.75 -1.07 -0.25 119.30 127.45 3iwp s MET 81 Ca -0.09 1.80 0.01 0.00 -1.25 0.00 0.00 55.69 56.15 3iwp s MET 81 Cb -0.15 -3.35 0.08 0.00 2.84 0.00 0.00 34.83 34.24 3iwp s MET 81 CO 0.00 -0.29 0.01 0.42 -0.65 0.00 0.00 175.02 174.51 3iwp s ILE 82 N 1.15 1.53 -0.26 10.11 1.01 0.42 -4.10 121.20 131.06 3iwp s ILE 82 Ca 0.59 -1.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 3iwp s ILE 82 Cb -0.30 -1.95 0.08 0.00 0.01 0.00 0.00 42.46 40.30 3iwp s ILE 82 CO 0.29 -0.35 0.65 0.00 0.00 0.00 0.00 174.94 175.53 3iwp s ARG 83 N 1.34 0.67 0.03 2.79 1.70 -1.26 -4.38 118.95 119.84 3iwp s ARG 83 Ca 0.02 1.16 -0.28 0.00 -0.47 0.00 0.00 55.73 56.15 3iwp s ARG 83 Cb -0.18 0.13 -0.16 0.00 -0.57 0.00 0.00 34.95 34.17 3iwp s ARG 83 CO -0.11 -0.15 1.27 -1.00 -1.08 0.00 0.00 175.30 174.23 3iwp h PRO 84 N 6.90 -0.78 -6.24 3.89 0.13 -1.95 -2.38 132.00 131.57 3iwp h PRO 84 Ca -0.31 0.05 -0.58 0.00 -0.87 0.00 0.00 66.00 64.29 3iwp h PRO 84 Cb 1.22 0.18 -0.11 0.00 0.13 0.00 0.00 31.00 32.41 3iwp h PRO 84 CO 0.17 -0.47 -0.69 -0.98 -0.23 0.00 0.00 178.00 175.80 3iwp s ARG 85 N -5.02 2.08 -0.34 0.86 1.70 -1.26 -4.71 118.95 112.27 3iwp s ARG 85 Ca -0.15 -1.50 0.06 0.00 -0.47 0.00 0.00 55.73 53.66 3iwp s ARG 85 Cb 0.02 -2.04 0.61 0.00 -0.57 0.00 0.00 34.95 32.97 3iwp s ARG 85 CO 0.51 0.36 1.74 0.41 -1.08 0.00 0.00 175.30 177.23 3iwp n GLY 86 N -0.70 3.79 0.00 3.88 0.00 -1.26 -4.83 105.19 106.07 3iwp n GLY 86 Ca -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.54 0.22 0.00 -0.02 0.00 -1.26 -5.01 105.19 98.58 3iwp n GLY 87 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3iwp n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iwp n ASP 88 N 0.00 0.00 -0.53 1.61 5.75 -1.26 -5.04 116.55 117.08 3iwp n ASP 88 Ca 0.00 -0.38 0.07 0.00 -0.01 0.00 0.00 54.79 54.47 3iwp n ASP 88 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.25 3iwp n ASP 88 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3iwp n PHE 89 N -0.53 0.00 -3.57 2.11 3.01 -1.26 -4.90 117.46 112.32 3iwp n PHE 89 Ca 0.00 -1.18 -0.41 0.00 1.01 0.00 0.00 57.45 56.88 3iwp n PHE 89 Cb 0.00 -0.20 -0.09 0.00 -0.01 0.00 0.00 39.48 39.18 3iwp n PHE 89 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3iwp s LEU 90 N -2.65 5.38 -0.00 4.37 0.20 -1.26 -1.22 118.68 123.50 3iwp s LEU 90 Ca 0.34 -1.64 -0.03 0.00 0.69 0.00 0.00 54.13 53.49 3iwp s LEU 90 Cb 0.33 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 44.04 3iwp s LEU 90 CO -0.05 -0.60 0.19 -0.31 -0.29 0.00 0.00 176.35 175.30 3iwp s TYR 91 N 1.42 3.55 0.70 5.38 1.51 -1.26 -5.08 117.35 123.56 3iwp s TYR 91 Ca 0.04 0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 56.36 3iwp s TYR 91 Cb -0.24 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3iwp s TYR 91 CO 0.01 0.64 1.08 -1.54 -1.11 0.00 0.00 175.55 174.63 3iwp s SER 92 N -1.97 5.52 0.40 2.29 1.04 -1.26 -4.87 113.70 114.84 3iwp s SER 92 Ca 0.28 1.22 0.10 0.00 0.48 0.00 0.00 55.95 58.02 3iwp s SER 92 Cb -0.13 -2.06 0.83 0.00 0.10 0.00 0.00 66.02 64.76 3iwp s SER 92 CO 0.19 -1.30 1.95 0.44 0.98 0.00 0.00 173.24 175.50 3iwp h ASP 93 N -0.63 0.25 -0.65 7.02 3.32 -1.99 -0.82 116.42 122.93 3iwp h ASP 93 Ca -0.45 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.57 3iwp h ASP 93 Cb 1.24 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 3iwp h ASP 93 CO 0.63 0.35 0.42 0.03 -1.72 0.00 0.00 179.24 178.95 3iwp h ARG 94 N 0.26 0.83 -0.15 3.56 2.47 -2.01 -2.70 114.38 116.65 3iwp h ARG 94 Ca 0.06 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 3iwp h ARG 94 Cb 0.29 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3iwp h ARG 94 CO 0.01 0.55 -0.56 0.93 0.56 0.00 0.00 179.97 181.47 3iwp h GLU 95 N 0.86 0.64 -0.99 0.04 5.08 -1.73 -2.96 114.58 115.52 3iwp h GLU 95 Ca 0.24 -0.49 0.20 0.00 -1.00 0.00 0.00 59.36 58.31 3iwp h GLU 95 Cb -0.08 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 3iwp h GLU 95 CO -0.06 1.11 0.62 0.82 -1.00 0.00 0.00 179.01 180.49 3iwp h ILE 96 N 0.30 0.69 0.31 3.13 2.04 -1.13 0.31 117.51 123.16 3iwp h ILE 96 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3iwp h ILE 96 Cb 1.19 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3iwp h ILE 96 CO 0.12 0.12 -0.46 -0.33 0.00 0.00 0.00 178.15 177.60 3iwp h GLU 97 N 0.67 -0.78 -1.01 2.37 5.08 -1.32 -1.23 114.58 118.37 3iwp h GLU 97 Ca 0.56 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 59.15 3iwp h GLU 97 Cb 0.99 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 3iwp h GLU 97 CO -0.33 -0.52 0.62 0.28 -1.00 0.00 0.00 179.01 178.06 3iwp h VAL 98 N -0.81 0.73 0.48 3.13 2.07 -0.87 0.39 116.25 121.38 3iwp h VAL 98 Ca -0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3iwp h VAL 98 Cb 0.74 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3iwp h VAL 98 CO -0.14 0.14 -0.23 0.24 0.02 0.00 0.00 177.57 177.61 3iwp h MET 99 N 0.79 -0.63 -0.64 1.57 2.86 -1.14 0.38 114.93 118.12 3iwp h MET 99 Ca 0.57 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.36 3iwp h MET 99 Cb 0.85 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.57 3iwp h MET 99 CO -0.37 -0.38 0.21 0.87 1.06 0.00 0.00 176.91 178.30 3iwp h LYS 100 N -0.72 0.35 -0.75 1.72 1.57 0.55 0.24 116.57 119.53 3iwp h LYS 100 Ca -0.07 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3iwp h LYS 100 Cb 0.53 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 3iwp h LYS 100 CO 0.11 0.23 0.46 0.00 -0.57 0.00 0.00 179.45 179.69 3iwp h ALA 101 N 1.47 1.00 -0.40 3.86 0.00 -0.25 -2.76 119.26 122.18 3iwp h ALA 101 Ca 0.34 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 3iwp h ALA 101 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iwp h ALA 101 CO -0.36 0.22 -0.24 -0.44 0.00 0.00 0.00 179.25 178.42 3iwp h ASP 102 N 0.88 0.91 0.27 0.00 3.32 0.15 -2.12 116.42 119.83 3iwp h ASP 102 Ca 0.31 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3iwp h ASP 102 Cb 0.09 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3iwp h ASP 102 CO -0.14 1.13 -0.31 0.40 -1.72 0.00 0.00 179.24 178.60 3iwp h ILE 103 N 0.69 0.34 -0.76 0.35 2.04 -0.56 0.20 117.51 119.81 3iwp h ILE 103 Ca 0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.08 3iwp h ILE 103 Cb 0.81 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 3iwp h ILE 103 CO 0.07 0.00 0.32 0.03 0.00 0.00 0.00 178.15 178.57 3iwp h ARG 104 N -0.63 0.46 -0.16 2.37 3.08 -1.46 -2.25 114.38 115.79 3iwp h ARG 104 Ca -0.01 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 3iwp h ARG 104 Cb 0.59 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3iwp h ARG 104 CO -0.09 0.31 -0.58 -0.07 -1.07 0.00 0.00 179.97 178.47 3iwp h LEU 105 N 0.48 0.58 0.17 3.04 3.38 -0.93 -2.87 115.31 119.15 3iwp h LEU 105 Ca 0.41 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3iwp h LEU 105 Cb 0.60 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3iwp h LEU 105 CO -0.38 1.04 -0.08 0.00 0.09 0.00 0.00 178.44 179.10 3iwp h ALA 106 N 0.97 -0.23 -0.80 1.53 0.00 -0.03 -2.47 119.26 118.23 3iwp h ALA 106 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3iwp h ALA 106 Cb 1.13 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3iwp h ALA 106 CO 0.11 -0.56 0.35 1.57 0.00 0.00 0.00 179.25 180.71 3iwp h LYS 107 N -0.35 1.18 0.00 0.00 2.10 -1.55 -2.28 116.57 115.67 3iwp h LYS 107 Ca -0.02 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 3iwp h LYS 107 Cb 0.28 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3iwp h LYS 107 CO 0.04 0.93 -0.01 1.25 -2.00 0.00 0.00 179.45 179.66 3iwp h LEU 108 N 1.15 0.00 -2.08 7.07 6.46 -1.35 -2.75 115.31 123.82 3iwp h LEU 108 Ca 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3iwp h LEU 108 Cb 0.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3iwp h LEU 108 CO -0.03 0.01 0.00 -1.22 -0.62 0.00 0.00 178.44 176.59 3iwp n TYR 109 N -4.47 0.25 0.00 1.25 4.02 -0.90 -4.96 117.16 112.35 3iwp n TYR 109 Ca -0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3iwp n TYR 109 Cb 0.10 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.14 0.70 3.42 2.72 0.00 -0.97 -4.49 105.19 107.71 3iwp n GLY 110 Ca 0.14 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3iwp n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 111 N -0.78 3.31 -0.31 4.61 0.00 -1.06 -4.83 121.76 122.70 3iwp s ALA 111 Ca 0.00 -1.58 0.26 0.00 0.00 0.00 0.00 51.96 50.64 3iwp s ALA 111 Cb 0.00 -2.55 1.12 0.00 0.00 0.00 0.00 23.12 21.69 3iwp s ALA 111 CO 0.00 -1.19 1.77 -0.44 0.00 0.00 0.00 175.76 175.90 3iwp h ASP 112 N 8.43 0.00 -5.16 0.00 3.32 -1.73 -3.44 116.42 117.84 3iwp h ASP 112 Ca -0.28 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.92 3iwp h ASP 112 Cb 1.12 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.58 3iwp h ASP 112 CO 0.65 0.00 0.46 -0.83 -1.72 0.00 0.00 179.24 177.80 3iwp s GLY 113 N -3.67 -0.28 0.05 2.75 0.00 -1.25 -4.31 107.32 100.61 3iwp s GLY 113 Ca 0.02 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.09 3iwp s GLY 113 CO 0.39 0.07 -0.16 1.08 0.00 0.00 0.00 173.10 174.48 3iwp s LEU 114 N -2.84 2.20 -0.10 0.66 1.43 0.12 -0.78 118.68 119.37 3iwp s LEU 114 Ca 0.10 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3iwp s LEU 114 Cb -0.02 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.52 3iwp s LEU 114 CO -0.00 0.05 -0.05 -0.69 0.23 0.00 0.00 176.35 175.88 3iwp s VAL 115 N -0.94 0.82 0.22 -1.59 1.01 0.65 -1.19 120.40 119.38 3iwp s VAL 115 Ca 0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 3iwp s VAL 115 Cb -0.09 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.45 3iwp s VAL 115 CO 0.02 0.33 0.81 0.72 0.00 0.00 0.00 175.10 176.98 3iwp s PHE 116 N 1.79 -0.19 0.02 5.22 -0.12 -1.02 0.16 117.98 123.84 3iwp s PHE 116 Ca 0.05 -0.20 -0.13 0.00 -0.05 0.00 0.00 56.93 56.60 3iwp s PHE 116 Cb -0.12 0.67 0.02 0.00 -0.63 0.00 0.00 43.02 42.96 3iwp s PHE 116 CO -0.07 -1.05 0.29 0.20 -0.05 0.00 0.00 175.22 174.53 3iwp s GLY 117 N -2.91 -0.11 -0.24 1.99 0.00 -1.26 -3.14 107.32 101.64 3iwp s GLY 117 Ca 0.11 0.08 -0.18 0.00 0.00 0.00 0.00 44.72 44.73 3iwp s GLY 117 CO 0.04 -0.13 0.62 0.00 0.00 0.00 0.00 173.10 173.63 3iwp s ALA 118 N -2.09 -1.59 0.08 3.20 0.00 -1.26 -4.91 121.76 115.19 3iwp s ALA 118 Ca -0.08 1.97 0.05 0.00 0.00 0.00 0.00 51.96 53.90 3iwp s ALA 118 Cb -0.03 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3iwp s ALA 118 CO -0.01 -0.32 -0.13 -0.51 0.00 0.00 0.00 175.76 174.79 3iwp s LEU 119 N 0.97 2.32 0.56 0.00 1.43 -0.36 -1.96 118.68 121.64 3iwp s LEU 119 Ca -0.05 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 3iwp s LEU 119 Cb -0.05 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.63 3iwp s LEU 119 CO -0.09 -0.12 1.03 -0.89 0.23 0.00 0.00 176.35 176.51 3iwp s THR 120 N -1.61 4.07 0.39 5.49 2.01 0.63 -4.30 115.64 122.31 3iwp s THR 120 Ca 0.01 1.01 0.13 0.00 0.31 0.00 0.00 61.69 63.15 3iwp s THR 120 Cb -0.08 -3.51 0.35 0.00 0.01 0.00 0.00 72.50 69.27 3iwp s THR 120 CO 0.02 -0.54 1.86 -0.33 -0.69 0.00 0.00 174.62 174.94 3iwp h GLU 121 N 0.71 0.53 0.00 4.92 5.08 -1.97 -1.35 114.58 122.50 3iwp h GLU 121 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3iwp h GLU 121 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3iwp h GLU 121 CO 0.59 0.35 0.00 -0.25 -1.00 0.00 0.00 179.01 178.70 3iwp n ASP 122 N -4.55 0.00 0.00 1.42 8.00 -1.26 -4.81 116.55 115.35 3iwp n ASP 122 Ca 0.18 0.48 0.00 0.00 0.71 0.00 0.00 54.79 56.16 3iwp n ASP 122 Cb 0.58 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.79 2.18 3.59 0.44 0.00 -0.51 -4.83 105.19 105.27 3iwp n GLY 123 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.56 1.32 -0.20 1.61 3.76 -1.25 -2.95 115.29 115.02 3iwp s HIS 124 Ca 0.00 0.84 -0.13 0.00 -0.15 0.00 0.00 55.06 55.62 3iwp s HIS 124 Cb 0.00 -3.25 -0.05 0.00 1.11 0.00 0.00 32.58 30.39 3iwp s HIS 124 CO 0.00 -3.54 0.26 -1.50 -0.85 0.00 0.00 174.74 169.11 3iwp s ILE 125 N -2.83 5.31 -0.46 0.60 2.07 -1.26 -0.26 121.20 124.37 3iwp s ILE 125 Ca 0.68 0.45 -0.27 0.00 -1.41 0.00 0.00 60.65 60.09 3iwp s ILE 125 Cb -0.17 -3.60 -0.04 0.00 0.13 0.00 0.00 42.46 38.78 3iwp s ILE 125 CO 0.59 0.35 2.10 -0.62 -1.91 0.00 0.00 174.94 175.45 3iwp s ASP 126 N 0.75 5.11 0.56 4.50 -1.08 -0.83 -4.67 116.67 121.01 3iwp s ASP 126 Ca 0.14 1.02 0.35 0.00 -0.52 0.00 0.00 52.55 53.53 3iwp s ASP 126 Cb -0.13 -2.52 1.49 0.00 -1.46 0.00 0.00 42.92 40.30 3iwp s ASP 126 CO 0.04 -2.38 2.02 0.11 0.52 0.00 0.00 175.17 175.49 3iwp h LYS 127 N 16.29 0.00 0.00 4.34 1.57 -1.95 -3.04 116.57 133.78 3iwp h LYS 127 Ca -0.29 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.26 3iwp h LYS 127 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 3iwp h LYS 127 CO 1.12 0.00 -1.86 0.39 -0.57 0.00 0.00 179.45 178.53 3iwp n GLU 128 N -3.06 1.02 0.19 3.15 1.02 -1.26 -3.24 120.64 118.46 3iwp n GLU 128 Ca 0.00 0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.24 3iwp n GLU 128 Cb 0.28 -1.31 0.39 0.00 -0.02 0.00 0.00 31.44 30.77 3iwp n GLU 128 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iwp h LEU 129 N 0.00 0.00 0.00 -4.62 6.46 -1.98 -2.59 115.31 112.59 3iwp h LEU 129 Ca -0.34 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3iwp h LEU 129 Cb 1.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 3iwp h LEU 129 CO -0.03 0.36 -0.00 0.00 -0.62 0.00 0.00 178.44 178.15 3iwp h MET 131 N -0.82 0.31 0.12 0.00 1.85 -1.52 -0.56 114.93 114.31 3iwp h MET 131 Ca -0.00 -0.02 -0.27 0.00 -0.61 0.00 0.00 59.70 58.80 3iwp h MET 131 Cb 0.81 -0.07 0.01 0.00 0.43 0.00 0.00 31.60 32.77 3iwp h MET 131 CO 0.00 0.21 -1.21 0.66 -0.40 0.00 0.00 176.91 176.17 3iwp h SER 132 N 0.32 0.45 -0.70 1.39 4.64 -1.59 -3.08 113.55 114.99 3iwp h SER 132 Ca 0.39 -0.47 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3iwp h SER 132 Cb 0.62 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 3iwp h SER 132 CO -0.45 1.35 0.27 -0.07 -0.87 0.00 0.00 176.83 177.06 3iwp h LEU 133 N 0.10 0.97 -1.02 5.97 3.38 -1.03 -2.87 115.31 120.81 3iwp h LEU 133 Ca -0.13 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3iwp h LEU 133 Cb 1.92 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3iwp h LEU 133 CO 0.20 0.88 -0.28 -0.03 0.09 0.00 0.00 178.44 179.30 3iwp h MET 134 N 1.00 0.37 -0.67 1.13 4.05 -1.20 -2.05 114.93 117.55 3iwp h MET 134 Ca 0.23 -0.14 0.07 0.00 -0.28 0.00 0.00 59.70 59.58 3iwp h MET 134 Cb 0.22 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 3iwp h MET 134 CO -0.02 0.62 0.36 0.00 0.23 0.00 0.00 176.91 178.10 3iwp h ALA 135 N 1.38 0.90 0.00 0.39 0.00 -1.41 0.52 119.26 121.05 3iwp h ALA 135 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3iwp h ALA 135 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3iwp h ALA 135 CO 0.05 0.02 -0.22 0.82 0.00 0.00 0.00 179.25 179.91 3iwp h ILE 136 N 0.66 0.54 -0.01 0.00 2.04 -1.38 -3.23 117.51 116.14 3iwp h ILE 136 Ca 0.31 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3iwp h ILE 136 Cb 0.22 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3iwp h ILE 136 CO -0.20 0.22 -0.03 0.00 0.00 0.00 0.00 178.15 178.14 3iwp n ARG 138 N -4.74 1.01 0.00 0.00 1.74 -0.02 -3.05 116.66 111.60 3iwp n ARG 138 Ca -0.09 0.39 0.13 0.00 -0.77 0.00 0.00 57.85 57.51 3iwp n ARG 138 Cb 0.34 -2.25 0.68 0.00 -1.02 0.00 0.00 32.46 30.20 3iwp n ARG 138 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3iwp n PRO 139 N -1.12 0.44 -1.50 5.56 -0.04 -1.26 -5.01 135.00 132.08 3iwp n PRO 139 Ca 0.14 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.27 3iwp n PRO 139 Cb 0.47 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3iwp n PRO 139 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iwp n LEU 140 N -1.25 4.94 -4.77 1.53 4.77 -1.17 -4.99 117.00 116.06 3iwp n LEU 140 Ca 0.13 0.74 -0.38 0.00 -0.03 0.00 0.00 56.01 56.47 3iwp n LEU 140 Cb 0.19 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 39.73 3iwp n LEU 140 CO 0.19 -1.46 0.71 -2.16 -1.33 0.00 0.00 177.39 173.35 3iwp s PRO 141 N -3.48 4.53 -0.02 3.23 0.04 -1.26 -4.89 135.00 133.15 3iwp s PRO 141 Ca 0.78 1.55 0.07 0.00 0.04 0.00 0.00 61.00 63.44 3iwp s PRO 141 Cb -0.36 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 3iwp s PRO 141 CO 0.45 0.18 -0.24 0.08 0.04 0.00 0.00 177.00 177.52 3iwp s VAL 142 N -1.42 2.23 -0.08 -0.36 1.01 -1.26 -0.70 120.40 119.81 3iwp s VAL 142 Ca 0.49 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3iwp s VAL 142 Cb -0.25 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3iwp s VAL 142 CO 0.31 0.56 -0.07 -0.89 0.00 0.00 0.00 175.10 175.01 3iwp s THR 143 N -0.65 0.89 0.28 3.92 2.01 -0.33 -1.27 115.64 120.49 3iwp s THR 143 Ca 0.10 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 3iwp s THR 143 Cb -0.10 -0.89 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 3iwp s THR 143 CO -0.00 0.33 0.73 0.12 -0.69 0.00 0.00 174.62 175.10 3iwp s PHE 144 N 1.32 3.47 0.00 4.92 5.36 0.03 -2.42 117.98 130.66 3iwp s PHE 144 Ca -0.03 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 3iwp s PHE 144 Cb -0.14 -2.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 3iwp s PHE 144 CO -0.03 0.19 0.00 0.72 -1.46 0.00 0.00 175.22 174.64 3iwp n HIS 145 N 0.04 0.00 0.32 10.12 8.25 -1.19 -1.03 115.22 131.74 3iwp n HIS 145 Ca 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.53 3iwp n HIS 145 Cb 0.52 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.93 3iwp n HIS 145 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iwp h ARG 146 N 0.00 0.00 -1.05 -0.41 3.08 -1.93 0.67 114.38 114.74 3iwp h ARG 146 Ca 0.00 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.33 3iwp h ARG 146 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3iwp h ARG 146 CO 0.00 0.00 0.72 0.00 -1.07 0.00 0.00 179.97 179.62 3iwp h ALA 147 N 0.50 2.60 -0.77 0.04 0.00 -1.94 0.19 119.26 119.87 3iwp h ALA 147 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.07 3iwp h ALA 147 Cb 1.49 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 3iwp h ALA 147 CO 0.00 -0.95 0.51 0.35 0.00 0.00 0.00 179.25 179.16 3iwp h PHE 148 N 0.21 0.54 0.00 0.00 3.57 0.10 -1.60 116.94 119.76 3iwp h PHE 148 Ca 0.55 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.06 3iwp h PHE 148 Cb 1.75 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.32 3iwp h PHE 148 CO -0.00 0.21 0.00 -0.44 -2.23 0.00 0.00 178.31 175.84 3iwp h ASP 149 N 0.46 0.00 -0.49 0.41 3.32 -0.84 -2.76 116.42 116.52 3iwp h ASP 149 Ca 0.38 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 3iwp h ASP 149 Cb 0.82 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 3iwp h ASP 149 CO -0.13 0.00 0.04 0.23 -1.72 0.00 0.00 179.24 177.66 3iwp n MET 150 N -2.45 3.94 -2.87 3.56 2.81 -0.60 -4.50 117.12 117.00 3iwp n MET 150 Ca 0.00 -3.05 -0.31 0.00 -1.81 0.00 0.00 57.70 52.53 3iwp n MET 150 Cb 0.18 -2.11 -0.04 0.00 -0.71 0.00 0.00 33.22 30.54 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 -2.85 4.73 0.06 2.03 1.01 -1.05 -4.87 120.40 119.46 3iwp s VAL 151 Ca 0.50 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 3iwp s VAL 151 Cb 0.40 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.90 3iwp s VAL 151 CO 0.13 -0.46 1.25 -0.74 0.00 0.00 0.00 175.10 175.28 3iwp h HIS 152 N 1.45 0.79 -3.06 5.22 2.76 -1.85 -3.41 115.15 117.04 3iwp h HIS 152 Ca -0.47 -0.34 -0.62 0.00 -2.20 0.00 0.00 60.37 56.73 3iwp h HIS 152 Cb 1.18 -0.12 -0.41 0.00 1.55 0.00 0.00 27.41 29.61 3iwp h HIS 152 CO 0.61 1.13 -0.69 0.34 -1.30 0.00 0.00 177.93 178.03 3iwp s ASP 153 N -6.77 3.92 0.52 3.26 -1.08 -1.26 -4.98 116.67 110.28 3iwp s ASP 153 Ca -0.12 -3.09 0.18 0.00 -0.52 0.00 0.00 52.55 49.00 3iwp s ASP 153 Cb 0.06 -1.30 1.28 0.00 -1.46 0.00 0.00 42.92 41.51 3iwp s ASP 153 CO 0.84 -0.20 2.10 1.55 0.52 0.00 0.00 175.17 179.98 3iwp h PRO 154 N 6.22 0.03 0.82 4.34 0.13 -1.92 0.18 132.00 141.80 3iwp h PRO 154 Ca 0.04 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 3iwp h PRO 154 Cb 0.87 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.00 3iwp h PRO 154 CO 0.59 0.02 -0.40 0.52 -0.23 0.00 0.00 178.00 178.50 3iwp h MET 155 N 0.03 -1.07 0.00 0.86 2.86 -1.99 -3.06 114.93 112.57 3iwp h MET 155 Ca 0.09 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3iwp h MET 155 Cb 0.31 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3iwp h MET 155 CO -0.00 -0.70 -0.06 0.00 1.06 0.00 0.00 176.91 177.20 3iwp h ALA 156 N -1.16 1.10 0.00 6.32 0.00 -1.83 -2.15 119.26 121.55 3iwp h ALA 156 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iwp h ALA 156 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3iwp h ALA 156 CO 0.19 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3iwp h ALA 157 N 1.94 1.00 0.00 0.00 0.00 -0.64 -3.01 119.26 118.55 3iwp h ALA 157 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iwp h ALA 157 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iwp h ALA 157 CO 0.01 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.49 3iwp h LEU 158 N 0.00 0.01 -1.38 0.00 6.46 -1.28 -3.26 115.31 115.85 3iwp h LEU 158 Ca 0.00 -0.92 -0.01 0.00 -0.12 0.00 0.00 57.88 56.82 3iwp h LEU 158 Cb 0.60 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 3iwp h LEU 158 CO 0.00 0.93 0.23 -0.33 -0.62 0.00 0.00 178.44 178.65 3iwp h GLU 159 N -0.91 0.65 -0.64 1.25 4.39 -1.62 -0.49 114.58 117.20 3iwp h GLU 159 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3iwp h GLU 159 Cb 0.94 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 3iwp h GLU 159 CO 0.00 0.50 0.40 1.15 -1.16 0.00 0.00 179.01 179.91 3iwp h THR 160 N 0.65 1.18 -0.02 1.13 2.02 -1.68 -2.34 112.91 113.85 3iwp h THR 160 Ca 0.17 -0.37 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 3iwp h THR 160 Cb 0.06 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3iwp h THR 160 CO -0.02 0.18 -0.57 -0.07 0.37 0.00 0.00 175.52 175.40 3iwp h LEU 161 N 0.87 0.06 0.07 2.58 3.38 -1.16 -2.05 115.31 119.07 3iwp h LEU 161 Ca 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3iwp h LEU 161 Cb -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3iwp h LEU 161 CO -0.05 0.62 -0.04 -0.07 0.09 0.00 0.00 178.44 179.00 3iwp h LEU 162 N 0.04 -0.08 -2.63 1.67 3.38 -1.29 -1.69 115.31 114.70 3iwp h LEU 162 Ca -0.00 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 3iwp h LEU 162 Cb 1.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3iwp h LEU 162 CO 0.08 0.50 -0.01 0.74 0.09 0.00 0.00 178.44 179.84 3iwp h THR 163 N -0.72 0.28 -0.00 0.22 2.02 -1.42 0.38 112.91 113.68 3iwp h THR 163 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3iwp h THR 163 Cb 0.58 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3iwp h THR 163 CO 0.02 0.01 -0.35 0.18 0.37 0.00 0.00 175.52 175.75 3iwp n LEU 164 N -3.47 0.53 -0.04 2.58 4.77 -0.77 -4.99 117.00 115.62 3iwp n LEU 164 Ca -0.03 0.02 -0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3iwp n LEU 164 Cb 0.09 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3iwp n LEU 164 CO 0.24 0.12 -0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3iwp n GLY 165 N 1.45 0.37 3.74 -0.72 0.00 0.13 -4.98 105.19 105.18 3iwp n GLY 165 Ca 0.08 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.03 3.48 0.05 1.61 0.40 -0.66 -4.89 117.98 115.94 3iwp s PHE 166 Ca 0.00 1.51 -0.16 0.00 -0.60 0.00 0.00 56.93 57.67 3iwp s PHE 166 Cb -0.00 -3.37 -0.21 0.00 0.51 0.00 0.00 43.02 39.95 3iwp s PHE 166 CO 0.00 -0.97 1.19 1.49 0.70 0.00 0.00 175.22 177.63 3iwp h GLU 167 N 4.99 0.59 -4.12 0.44 4.81 -1.52 -3.46 114.58 116.31 3iwp h GLU 167 Ca -0.45 -0.56 -0.12 0.00 -0.13 0.00 0.00 59.36 58.10 3iwp h GLU 167 Cb 1.21 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 30.59 3iwp h GLU 167 CO 0.73 1.18 -0.56 1.03 -0.73 0.00 0.00 179.01 180.66 3iwp s ARG 168 N -3.45 0.76 0.01 1.92 0.52 -1.15 -1.98 118.95 115.59 3iwp s ARG 168 Ca -0.12 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 53.98 3iwp s ARG 168 Cb 0.06 0.26 -0.02 0.00 0.52 0.00 0.00 34.95 35.77 3iwp s ARG 168 CO 0.87 -0.20 -0.18 0.08 0.02 0.00 0.00 175.30 175.89 3iwp s VAL 169 N -3.93 1.42 -0.17 3.52 1.01 -0.75 -0.79 120.40 120.70 3iwp s VAL 169 Ca 0.10 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3iwp s VAL 169 Cb 0.07 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3iwp s VAL 169 CO -0.08 0.27 0.05 -0.22 0.00 0.00 0.00 175.10 175.12 3iwp s LEU 170 N -0.76 3.74 -0.16 3.92 0.20 -0.20 -0.52 118.68 124.91 3iwp s LEU 170 Ca 0.06 0.06 -0.13 0.00 0.69 0.00 0.00 54.13 54.81 3iwp s LEU 170 Cb -0.07 -1.94 0.05 0.00 -0.43 0.00 0.00 46.19 43.79 3iwp s LEU 170 CO 0.00 0.19 0.42 -0.89 -0.29 0.00 0.00 176.35 175.78 3iwp s THR 171 N 0.29 -0.01 -0.21 3.68 2.01 -0.56 -3.30 115.64 117.53 3iwp s THR 171 Ca 0.03 0.02 0.14 0.00 0.31 0.00 0.00 61.69 62.19 3iwp s THR 171 Cb -0.13 -0.59 0.52 0.00 0.01 0.00 0.00 72.50 72.31 3iwp s THR 171 CO 0.01 0.01 1.43 -1.54 -0.69 0.00 0.00 174.62 173.84 3iwp n SER 172 N 3.17 3.42 -1.31 3.53 3.41 -1.26 -1.92 113.62 122.66 3iwp n SER 172 Ca -0.15 -3.24 -0.11 0.00 -0.26 0.00 0.00 58.87 55.10 3iwp n SER 172 Cb 0.57 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.74 -0.09 3.28 5.00 0.00 -1.26 -2.72 105.19 108.66 3iwp n GLY 173 Ca 0.25 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.93 -0.46 0.44 0.00 -1.08 -1.10 -5.02 116.67 106.52 3iwp s ASP 175 Ca 0.42 0.26 0.37 0.00 -0.52 0.00 0.00 52.55 53.08 3iwp s ASP 175 Cb -0.19 0.49 1.26 0.00 -1.46 0.00 0.00 42.92 43.02 3iwp s ASP 175 CO 0.52 -0.69 1.19 -1.54 0.52 0.00 0.00 175.17 175.17 3iwp n SER 176 N 0.54 0.00 -4.04 -0.34 3.41 -1.26 -4.56 113.62 107.37 3iwp n SER 176 Ca -0.19 0.75 -0.10 0.00 -0.26 0.00 0.00 58.87 59.07 3iwp n SER 176 Cb 0.60 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 3iwp n SER 176 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iwp s SER 177 N -3.81 0.00 0.10 4.04 1.04 -1.26 -4.76 113.70 109.05 3iwp s SER 177 Ca -0.04 -1.07 -0.16 0.00 0.48 0.00 0.00 55.95 55.16 3iwp s SER 177 Cb 0.19 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 3iwp s SER 177 CO 0.65 -1.06 1.54 0.00 0.98 0.00 0.00 173.24 175.35 3iwp h ALA 178 N 2.36 0.44 -0.34 5.32 0.00 0.31 -2.39 119.26 124.96 3iwp h ALA 178 Ca -0.29 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.42 3iwp h ALA 178 Cb 1.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3iwp h ALA 178 CO 0.40 0.22 0.07 1.25 0.00 0.00 0.00 179.25 181.20 3iwp h LEU 179 N 0.39 0.02 -1.26 0.00 6.46 -1.85 -1.52 115.31 117.56 3iwp h LEU 179 Ca 0.09 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 3iwp h LEU 179 Cb 0.48 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 3iwp h LEU 179 CO 0.02 0.05 0.54 -0.33 -0.62 0.00 0.00 178.44 178.10 3iwp h GLU 180 N 0.19 0.86 -0.59 1.25 4.39 -1.86 -2.72 114.58 116.10 3iwp h GLU 180 Ca 0.16 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3iwp h GLU 180 Cb 0.17 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3iwp h GLU 180 CO -0.20 0.57 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 3iwp n GLY 181 N -1.42 1.83 0.31 -3.84 0.00 -0.82 -4.68 105.19 96.56 3iwp n GLY 181 Ca 0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 3iwp n GLY 181 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iwp h LEU 182 N 3.60 -0.97 -1.15 0.99 3.38 -0.97 -1.11 115.31 119.08 3iwp h LEU 182 Ca 0.00 0.21 0.20 0.00 0.09 0.00 0.00 57.88 58.38 3iwp h LEU 182 Cb 0.82 0.51 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 3iwp h LEU 182 CO 0.00 -0.28 0.62 1.55 0.09 0.00 0.00 178.44 180.42 3iwp h PRO 183 N -0.12 0.63 0.04 1.13 0.13 -1.85 0.10 132.00 132.06 3iwp h PRO 183 Ca 0.25 -0.04 -0.24 0.00 -0.87 0.00 0.00 66.00 65.11 3iwp h PRO 183 Cb 0.53 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 3iwp h PRO 183 CO -0.66 0.42 -1.13 1.25 -0.23 0.00 0.00 178.00 177.65 3iwp h LEU 184 N 0.65 0.13 -0.38 1.56 5.85 -1.57 -2.58 115.31 118.98 3iwp h LEU 184 Ca 0.56 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.99 3iwp h LEU 184 Cb 1.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3iwp h LEU 184 CO -0.33 1.12 -0.32 0.40 -0.34 0.00 0.00 178.44 178.97 3iwp h ILE 185 N 0.02 1.28 0.32 4.05 2.04 -0.26 -2.36 117.51 122.60 3iwp h ILE 185 Ca -0.07 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 3iwp h ILE 185 Cb 1.85 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 3iwp h ILE 185 CO 0.15 0.50 -0.24 0.11 0.00 0.00 0.00 178.15 178.66 3iwp h LYS 186 N 0.71 -0.54 -1.01 2.37 1.57 -0.88 -2.62 116.57 116.18 3iwp h LYS 186 Ca 0.07 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.12 3iwp h LYS 186 Cb 0.90 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.22 3iwp h LYS 186 CO 0.08 -0.36 0.61 -0.09 -0.57 0.00 0.00 179.45 179.12 3iwp h ARG 187 N -0.56 0.60 -0.17 3.15 2.43 -1.45 -1.83 114.38 116.55 3iwp h ARG 187 Ca -0.02 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 3iwp h ARG 187 Cb 0.49 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3iwp h ARG 187 CO -0.01 0.39 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.28 3iwp h LEU 188 N 0.61 0.49 -1.02 3.80 3.38 -1.07 -0.17 115.31 121.34 3iwp h LEU 188 Ca 0.62 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 58.25 3iwp h LEU 188 Cb 1.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3iwp h LEU 188 CO -0.42 0.90 -0.31 0.40 0.09 0.00 0.00 178.44 179.10 3iwp h ILE 189 N 0.36 1.27 0.02 1.22 2.04 -1.02 -2.99 117.51 118.41 3iwp h ILE 189 Ca 0.02 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 3iwp h ILE 189 Cb 1.00 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3iwp h ILE 189 CO 0.09 0.40 -0.01 -0.33 0.00 0.00 0.00 178.15 178.30 3iwp h GLU 190 N 0.28 -0.03 -0.24 2.37 4.39 -1.28 -3.36 114.58 116.72 3iwp h GLU 190 Ca 0.04 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.79 3iwp h GLU 190 Cb 0.69 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.27 3iwp h GLU 190 CO 0.05 0.72 -0.43 0.37 -1.16 0.00 0.00 179.01 178.57 3iwp h GLN 191 N -0.89 -0.41 -4.51 2.33 4.15 -1.04 -3.29 115.11 111.44 3iwp h GLN 191 Ca -0.00 0.03 -0.71 0.00 0.77 0.00 0.00 58.65 58.73 3iwp h GLN 191 Cb 0.76 0.09 -0.26 0.00 0.21 0.00 0.00 27.48 28.29 3iwp h GLN 191 CO 0.00 -0.28 -0.48 0.00 -1.93 0.00 0.00 178.83 176.15 3iwp s ALA 192 N -5.87 3.30 -0.40 3.38 0.00 -1.13 -5.06 121.76 115.99 3iwp s ALA 192 Ca -0.15 -1.93 -0.25 0.00 0.00 0.00 0.00 51.96 49.63 3iwp s ALA 192 Cb 0.10 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.58 3iwp s ALA 192 CO 0.64 -1.53 0.90 -1.59 0.00 0.00 0.00 175.76 174.18 3iwp s LYS 193 N 1.51 3.72 0.00 0.00 0.00 -1.24 -4.32 119.74 119.41 3iwp s LYS 193 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 55.97 56.38 3iwp s LYS 193 Cb -0.21 -3.84 0.00 0.00 0.00 0.00 0.00 37.83 33.77 3iwp s LYS 193 CO 0.05 -1.02 0.00 0.41 0.00 0.00 0.00 175.35 174.79 3iwp n GLY 194 N 4.59 0.00 0.28 0.59 0.00 -1.26 -4.74 105.19 104.64 3iwp n GLY 194 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 3iwp n GLY 194 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iwp h ARG 195 N 0.00 0.00 -2.30 1.61 3.08 -1.96 -3.43 114.38 111.38 3iwp h ARG 195 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3iwp h ARG 195 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.83 3iwp h ARG 195 CO 0.00 0.00 -0.04 -1.50 -1.07 0.00 0.00 179.97 177.36 3iwp s ILE 196 N -3.71 -0.00 -0.36 2.04 2.07 -1.26 -4.95 121.20 115.04 3iwp s ILE 196 Ca 0.01 0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 58.97 3iwp s ILE 196 Cb 0.09 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.87 3iwp s ILE 196 CO 0.53 0.00 1.12 -0.69 -1.91 0.00 0.00 174.94 173.99 3iwp s VAL 197 N 0.60 4.39 -0.26 4.00 1.01 -0.84 -4.97 120.40 124.34 3iwp s VAL 197 Ca -0.02 1.55 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 3iwp s VAL 197 Cb -0.05 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 3iwp s VAL 197 CO -0.03 -0.62 0.61 -0.69 0.00 0.00 0.00 175.10 174.37 3iwp s VAL 198 N 3.95 5.00 -0.25 2.92 1.01 -1.26 -1.82 120.40 129.94 3iwp s VAL 198 Ca 0.47 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 63.47 3iwp s VAL 198 Cb -0.11 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3iwp s VAL 198 CO 0.20 0.03 0.07 -0.04 0.00 0.00 0.00 175.10 175.36 3iwp s MET 199 N 2.48 3.58 0.41 2.72 -1.94 0.33 -4.61 119.30 122.27 3iwp s MET 199 Ca 0.25 -0.53 -0.26 0.00 -1.71 0.00 0.00 55.69 53.45 3iwp s MET 199 Cb -0.15 -3.32 -0.09 0.00 2.01 0.00 0.00 34.83 33.28 3iwp s MET 199 CO 0.09 -0.22 1.33 -1.25 -0.01 0.00 0.00 175.02 174.96 3iwp s PRO 200 N 1.60 3.92 0.00 2.03 0.04 -1.25 -1.50 135.00 139.84 3iwp s PRO 200 Ca 0.06 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3iwp s PRO 200 Cb -0.15 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3iwp s PRO 200 CO 0.03 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.93 3iwp n GLY 201 N 0.65 0.00 3.55 0.56 0.00 -0.81 -0.73 105.19 108.41 3iwp n GLY 201 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3iwp n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 202 N 0.37 -0.15 3.13 -0.02 0.00 -1.26 -4.20 105.19 103.05 3iwp n GLY 202 Ca 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 6.59 -0.62 3.37 -0.02 0.00 -1.26 0.25 105.19 113.48 3iwp n GLY 203 Ca 0.48 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 3iwp n GLY 203 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iwp s ILE 204 N -1.10 2.37 0.23 -0.61 -4.36 -1.26 -4.44 121.20 112.03 3iwp s ILE 204 Ca 0.00 -1.05 0.02 0.00 -0.26 0.00 0.00 60.65 59.37 3iwp s ILE 204 Cb -0.00 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 3iwp s ILE 204 CO 0.12 0.54 0.05 -0.89 0.24 0.00 0.00 174.94 175.01 3iwp s THR 205 N -0.68 0.66 0.49 8.37 2.01 -1.26 -4.62 115.64 120.61 3iwp s THR 205 Ca 0.11 -2.00 0.23 0.00 0.31 0.00 0.00 61.69 60.34 3iwp s THR 205 Cb -0.10 -2.44 0.40 0.00 0.01 0.00 0.00 72.50 70.37 3iwp s THR 205 CO 0.00 -0.19 1.94 -2.24 -0.69 0.00 0.00 174.62 173.44 3iwp h ASP 206 N 2.49 0.14 1.17 3.53 3.04 -1.95 -0.22 116.42 124.62 3iwp h ASP 206 Ca -0.38 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 3iwp h ASP 206 Cb 1.23 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3iwp h ASP 206 CO 0.62 0.07 0.00 -2.11 -2.04 0.00 0.00 179.24 175.78 3iwp n ARG 207 N -4.40 0.23 0.00 4.15 1.85 -1.26 -4.07 116.66 113.16 3iwp n ARG 207 Ca 0.13 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.27 3iwp n ARG 207 Cb 0.66 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 3iwp n ARG 207 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3iwp n ASN 208 N -2.23 1.22 -0.25 2.89 6.94 -0.51 -4.86 115.26 118.48 3iwp n ASN 208 Ca 0.04 -0.21 -0.11 0.00 -0.02 0.00 0.00 54.58 54.29 3iwp n ASN 208 Cb 0.35 0.66 -0.07 0.00 -2.36 0.00 0.00 39.78 38.36 3iwp n ASN 208 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3iwp h LEU 209 N 0.00 -1.81 -0.42 -4.53 6.46 -1.23 -2.61 115.31 111.17 3iwp h LEU 209 Ca 0.00 0.27 0.06 0.00 -0.12 0.00 0.00 57.88 58.10 3iwp h LEU 209 Cb 0.00 0.79 -0.06 0.00 -0.73 0.00 0.00 40.66 40.66 3iwp h LEU 209 CO 0.00 -0.33 0.09 -0.61 -0.62 0.00 0.00 178.44 176.97 3iwp h GLN 210 N -0.22 0.22 -0.35 1.25 4.15 -1.86 0.73 115.11 119.02 3iwp h GLN 210 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3iwp h GLN 210 Cb 0.54 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3iwp h GLN 210 CO -0.74 0.15 0.22 -0.09 -1.93 0.00 0.00 178.83 176.44 3iwp h ARG 211 N 0.23 0.47 -0.11 1.69 2.43 -1.85 -1.68 114.38 115.56 3iwp h ARG 211 Ca 0.20 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 3iwp h ARG 211 Cb 0.24 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3iwp h ARG 211 CO -0.26 0.32 -0.32 0.82 -1.51 0.00 0.00 179.97 179.02 3iwp h ILE 212 N 0.48 1.39 0.44 1.20 2.04 -0.54 -0.72 117.51 121.79 3iwp h ILE 212 Ca 0.13 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 3iwp h ILE 212 Cb -0.03 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3iwp h ILE 212 CO -0.03 0.48 -0.21 -0.07 0.00 0.00 0.00 178.15 178.33 3iwp h LEU 213 N -0.02 -0.50 -1.92 1.44 3.38 -0.93 0.56 115.31 117.32 3iwp h LEU 213 Ca -0.01 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3iwp h LEU 213 Cb 0.94 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3iwp h LEU 213 CO 0.07 -0.27 0.48 -0.33 0.09 0.00 0.00 178.44 178.47 3iwp h GLU 214 N -0.75 0.00 0.12 1.13 5.08 -1.46 0.28 114.58 118.98 3iwp h GLU 214 Ca -0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 3iwp h GLU 214 Cb 0.45 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.72 3iwp h GLU 214 CO 0.10 0.00 -0.79 0.78 -1.00 0.00 0.00 179.01 178.10 3iwp h GLY 215 N 0.00 0.37 0.51 -3.84 0.00 -0.93 -3.41 103.07 95.77 3iwp h GLY 215 Ca 0.19 -0.88 -0.36 0.00 0.00 0.00 0.00 47.33 46.28 3iwp h GLY 215 CO -0.00 0.77 -2.01 -1.14 0.00 0.00 0.00 176.54 174.16 3iwp n SER 216 N -4.13 2.10 0.00 0.19 3.41 0.19 -4.80 113.62 110.59 3iwp n SER 216 Ca -0.13 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3iwp n SER 216 Cb 0.80 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.98 0.74 3.71 5.00 0.00 0.75 -4.54 105.19 112.83 3iwp n GLY 217 Ca -0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3iwp n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp n ALA 218 N -1.04 1.23 0.62 4.61 0.00 -1.26 -4.93 120.51 119.74 3iwp n ALA 218 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.68 3iwp n ALA 218 Cb 0.00 -2.28 -0.12 0.00 0.00 0.00 0.00 19.45 17.05 3iwp n ALA 218 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3iwp n THR 219 N -0.89 0.00 -3.89 0.00 -1.04 -1.26 -4.95 114.28 102.25 3iwp n THR 219 Ca 0.10 -0.17 -0.11 0.00 -2.04 0.00 0.00 64.05 61.82 3iwp n THR 219 Cb 0.43 0.71 -0.13 0.00 -1.82 0.00 0.00 70.33 69.52 3iwp n THR 219 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3iwp s GLU 220 N -2.99 0.12 -0.02 -2.82 2.12 -1.26 -0.86 118.70 112.98 3iwp s GLU 220 Ca 0.03 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.17 3iwp s GLU 220 Cb 0.14 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.58 3iwp s GLU 220 CO 0.80 -0.02 0.14 -0.59 -0.54 0.00 0.00 175.26 175.05 3iwp s PHE 221 N -0.38 -0.05 -0.11 5.30 -0.12 -0.61 -3.87 117.98 118.15 3iwp s PHE 221 Ca -0.04 0.10 -0.05 0.00 -0.05 0.00 0.00 56.93 56.89 3iwp s PHE 221 Cb -0.03 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 3iwp s PHE 221 CO -0.00 -0.20 0.08 -1.58 -0.05 0.00 0.00 175.22 173.47 3iwp s HIS 222 N -0.75 3.40 0.33 3.49 5.65 0.09 -1.21 115.29 126.29 3iwp s HIS 222 Ca -0.08 0.37 -0.12 0.00 0.25 0.00 0.00 55.06 55.48 3iwp s HIS 222 Cb -0.05 -1.88 0.02 0.00 -1.18 0.00 0.00 32.58 29.49 3iwp s HIS 222 CO 0.01 0.60 0.62 0.00 -0.65 0.00 0.00 174.74 175.32 3iwp n SER 224 N -1.05 2.59 -4.10 0.00 2.88 -1.26 -2.88 113.62 109.79 3iwp n SER 224 Ca -0.04 -0.03 -0.31 0.00 -1.33 0.00 0.00 58.87 57.16 3iwp n SER 224 Cb 0.61 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 3iwp n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iwp n ALA 225 N -3.04 -1.63 -1.98 -1.46 0.00 -1.26 -4.72 120.51 106.41 3iwp n ALA 225 Ca -0.26 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 52.83 3iwp n ALA 225 Cb 0.76 -2.49 0.04 0.00 0.00 0.00 0.00 19.45 17.77 3iwp n ALA 225 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iwp s ARG 226 N -6.79 2.44 -0.26 0.00 0.52 -1.26 -0.47 118.95 113.13 3iwp s ARG 226 Ca 0.37 -0.90 -0.26 0.00 -0.52 0.00 0.00 55.73 54.43 3iwp s ARG 226 Cb -0.20 -2.50 0.10 0.00 0.52 0.00 0.00 34.95 32.87 3iwp s ARG 226 CO 0.91 -0.78 0.87 -1.54 0.02 0.00 0.00 175.30 174.78 3iwp s SER 227 N -4.47 -0.59 0.26 0.23 1.04 -0.18 -4.71 113.70 105.28 3iwp s SER 227 Ca 0.58 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.82 3iwp s SER 227 Cb -0.09 1.10 -0.10 0.00 0.10 0.00 0.00 66.02 67.03 3iwp s SER 227 CO 0.39 -0.23 1.40 0.28 0.98 0.00 0.00 173.24 176.06 3iwp s THR 228 N 0.16 2.74 0.04 2.02 -1.32 -1.26 -3.02 115.64 115.00 3iwp s THR 228 Ca 0.01 0.64 0.04 0.00 -1.21 0.00 0.00 61.69 61.16 3iwp s THR 228 Cb -0.05 -3.41 -0.02 0.00 -1.51 0.00 0.00 72.50 67.52 3iwp s THR 228 CO -0.02 0.11 -0.11 -0.60 -2.21 0.00 0.00 174.62 171.79 3iwp s ARG 229 N -0.60 0.73 0.57 7.08 3.52 -0.43 -4.96 118.95 124.86 3iwp s ARG 229 Ca 0.57 -0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 55.41 3iwp s ARG 229 Cb -0.41 -0.66 0.03 0.00 -1.56 0.00 0.00 34.95 32.35 3iwp s ARG 229 CO 0.44 0.15 0.83 -0.51 -0.81 0.00 0.00 175.30 175.41 3iwp s ASP 230 N -1.31 5.34 0.72 -2.12 1.01 -1.26 -1.98 116.67 117.08 3iwp s ASP 230 Ca -0.03 0.28 -0.13 0.00 0.71 0.00 0.00 52.55 53.38 3iwp s ASP 230 Cb -0.08 -1.21 0.03 0.00 1.01 0.00 0.00 42.92 42.67 3iwp s ASP 230 CO 0.01 -1.14 1.11 -0.55 0.21 0.00 0.00 175.17 174.82 3iwp s SER 231 N -4.38 4.67 0.00 0.27 0.15 -0.73 -4.81 113.70 108.86 3iwp s SER 231 Ca 0.55 1.98 0.23 0.00 0.70 0.00 0.00 55.95 59.41 3iwp s SER 231 Cb -0.10 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 3iwp s SER 231 CO 0.41 -1.93 1.09 0.61 1.20 0.00 0.00 173.24 174.62 3iwp n GLY 232 N -0.65 -0.25 3.73 9.45 0.00 -1.26 -4.98 105.19 111.22 3iwp n GLY 232 Ca 0.10 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3iwp n GLY 232 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3iwp s MET 233 N -2.60 4.33 0.00 1.61 0.00 -1.26 -4.93 119.30 116.46 3iwp s MET 233 Ca 0.17 2.12 0.22 0.00 0.00 0.00 0.00 55.69 58.20 3iwp s MET 233 Cb 0.18 -3.20 -0.05 0.00 0.00 0.00 0.00 34.83 31.76 3iwp s MET 233 CO 0.63 -0.37 1.04 1.63 0.00 0.00 0.00 175.02 177.96 3iwp n LYS 234 N 3.16 0.73 -5.12 4.11 5.02 -1.26 -4.85 118.16 119.95 3iwp n LYS 234 Ca 0.09 -0.60 -0.30 0.00 -2.02 0.00 0.00 58.31 55.47 3iwp n LYS 234 Cb 0.42 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.77 3iwp n LYS 234 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3iwp s PHE 235 N -2.68 2.30 -0.04 2.13 5.36 -1.26 -5.13 117.98 118.66 3iwp s PHE 235 Ca 0.15 -0.83 -0.06 0.00 -0.96 0.00 0.00 56.93 55.23 3iwp s PHE 235 Cb 0.17 -1.54 0.01 0.00 -0.34 0.00 0.00 43.02 41.32 3iwp s PHE 235 CO 0.68 -0.31 0.15 0.50 -1.46 0.00 0.00 175.22 174.78 3iwp s ARG 236 N 0.19 0.26 0.07 10.12 3.00 -1.26 -5.05 118.95 126.27 3iwp s ARG 236 Ca -0.12 0.07 -0.08 0.00 -1.00 0.00 0.00 55.73 54.59 3iwp s ARG 236 Cb -0.16 0.12 -0.05 0.00 0.00 0.00 0.00 34.95 34.85 3iwp s ARG 236 CO 0.06 -0.04 0.36 1.21 0.00 0.00 0.00 175.30 176.89 3iwp s ASN 237 N -0.27 6.59 0.04 -2.12 3.84 -1.26 -5.03 114.94 116.72 3iwp s ASN 237 Ca -0.04 0.71 -0.20 0.00 0.21 0.00 0.00 52.86 53.54 3iwp s ASN 237 Cb -0.03 -2.14 -0.15 0.00 -0.55 0.00 0.00 41.25 38.38 3iwp s ASN 237 CO 0.01 0.18 1.34 0.28 -2.79 0.00 0.00 177.10 176.12 3iwp h SER 238 N 3.70 0.37 0.83 -4.21 0.02 -2.05 -3.35 113.55 108.86 3iwp h SER 238 Ca -0.49 -0.48 -0.22 0.00 -0.84 0.00 0.00 61.79 59.76 3iwp h SER 238 Cb 1.19 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 3iwp h SER 238 CO 0.67 0.78 -1.25 0.77 -1.14 0.00 0.00 176.83 176.65 3iwp h SER 239 N -0.03 0.00 -3.26 3.07 4.64 -2.08 -3.48 113.55 112.41 3iwp h SER 239 Ca 0.02 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.77 3iwp h SER 239 Cb 0.67 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.90 3iwp h SER 239 CO 0.04 0.89 0.27 0.52 -0.87 0.00 0.00 176.83 177.67 3iwp n VAL 240 N -3.16 2.60 0.00 0.95 0.31 -1.26 -5.34 118.33 112.43 3iwp n VAL 240 Ca -0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 3iwp n VAL 240 Cb 0.94 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 3iwp n VAL 240 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iwp n ALA 241 N -0.50 0.00 0.00 3.52 0.00 -1.26 -5.04 120.51 117.23 3iwp n ALA 241 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3iwp n ALA 241 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3iwp n ALA 241 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3iwp n TYR 251 N 0.00 0.00 -3.23 0.00 9.36 -1.26 -5.23 117.16 116.80 3iwp n TYR 251 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3iwp n TYR 251 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.67 3iwp n TYR 251 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3iwp s SER 252 N -4.00 -0.74 0.23 2.98 1.04 -1.26 -1.78 113.70 110.17 3iwp s SER 252 Ca 0.00 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.05 3iwp s SER 252 Cb 0.00 1.74 -0.03 0.00 0.10 0.00 0.00 66.02 67.83 3iwp s SER 252 CO 0.00 -0.28 0.36 -1.48 0.98 0.00 0.00 173.24 172.82 3iwp s LEU 253 N 2.73 4.30 -0.41 2.42 2.34 -0.84 -4.89 118.68 124.34 3iwp s LEU 253 Ca 0.17 0.11 -0.08 0.00 0.06 0.00 0.00 54.13 54.39 3iwp s LEU 253 Cb -0.15 -2.90 0.08 0.00 -0.56 0.00 0.00 46.19 42.66 3iwp s LEU 253 CO -0.20 -0.07 0.23 -0.54 -1.06 0.00 0.00 176.35 174.72 3iwp s LYS 254 N -3.89 2.51 0.22 1.48 1.02 -1.26 -1.31 119.74 118.51 3iwp s LYS 254 Ca 0.34 -1.50 -0.03 0.00 0.02 0.00 0.00 55.97 54.81 3iwp s LYS 254 Cb -0.09 -3.71 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 3iwp s LYS 254 CO 0.29 -0.95 0.45 0.08 -0.92 0.00 0.00 175.35 174.31 3iwp s VAL 255 N 1.38 5.13 0.34 3.17 1.01 -1.17 -4.85 120.40 125.42 3iwp s VAL 255 Ca 0.03 -0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 3iwp s VAL 255 Cb -0.23 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 3iwp s VAL 255 CO 0.01 -0.19 1.27 -0.89 0.00 0.00 0.00 175.10 175.30 3iwp s THR 256 N -1.91 2.83 -0.18 3.92 2.01 -1.26 -1.01 115.64 120.04 3iwp s THR 256 Ca 0.41 0.81 -0.08 0.00 0.31 0.00 0.00 61.69 63.14 3iwp s THR 256 Cb -0.11 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3iwp s THR 256 CO 0.28 0.17 0.09 -0.62 -0.69 0.00 0.00 174.62 173.86 3iwp s ASP 257 N -0.64 5.92 0.04 3.53 3.68 0.38 -4.85 116.67 124.74 3iwp s ASP 257 Ca 0.50 0.19 -0.24 0.00 2.13 0.00 0.00 52.55 55.13 3iwp s ASP 257 Cb -0.38 -2.00 -0.18 0.00 -1.45 0.00 0.00 42.92 38.91 3iwp s ASP 257 CO 0.49 0.21 1.50 0.58 0.13 0.00 0.00 175.17 178.09 3iwp h VAL 258 N 4.66 1.17 -0.30 1.11 2.07 -1.88 -1.98 116.25 121.10 3iwp h VAL 258 Ca -0.41 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3iwp h VAL 258 Cb 1.17 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3iwp h VAL 258 CO 0.71 0.14 0.11 0.74 0.02 0.00 0.00 177.57 179.29 3iwp h THR 259 N -0.25 1.19 -0.74 2.57 2.02 -1.95 -1.70 112.91 114.04 3iwp h THR 259 Ca -0.00 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.62 3iwp h THR 259 Cb 0.25 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3iwp h THR 259 CO 0.00 0.20 0.48 0.50 0.37 0.00 0.00 175.52 177.07 3iwp h LYS 260 N 0.34 0.95 -0.19 6.66 1.63 -1.89 -0.38 116.57 123.69 3iwp h LYS 260 Ca 0.10 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3iwp h LYS 260 Cb 0.20 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 3iwp h LYS 260 CO -0.01 0.63 0.08 0.28 -3.45 0.00 0.00 179.45 176.99 3iwp h VAL 261 N 0.98 1.15 -0.88 2.00 2.07 -1.31 -2.46 116.25 117.80 3iwp h VAL 261 Ca 0.28 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.44 3iwp h VAL 261 Cb -0.08 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 3iwp h VAL 261 CO -0.07 0.14 0.54 -0.09 0.02 0.00 0.00 177.57 178.11 3iwp h ARG 262 N 0.16 0.92 -0.29 1.57 2.43 -0.80 0.13 114.38 118.51 3iwp h ARG 262 Ca 0.06 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3iwp h ARG 262 Cb 0.15 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3iwp h ARG 262 CO -0.01 0.61 0.02 1.15 -1.51 0.00 0.00 179.97 180.23 3iwp h THR 263 N 0.95 1.25 -0.59 0.20 2.02 -0.95 0.47 112.91 116.26 3iwp h THR 263 Ca 0.40 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3iwp h THR 263 Cb 0.26 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3iwp h THR 263 CO -0.20 0.28 0.38 -0.07 0.37 0.00 0.00 175.52 176.28 3iwp h LEU 264 N 0.30 0.69 -0.19 2.58 3.38 -1.09 -1.31 115.31 119.67 3iwp h LEU 264 Ca 0.09 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3iwp h LEU 264 Cb 0.39 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3iwp h LEU 264 CO 0.01 0.52 0.05 -1.13 0.09 0.00 0.00 178.44 177.98 3iwp h ASN 265 N 0.80 0.04 0.40 -0.43 -0.73 -0.38 -2.06 115.58 113.22 3iwp h ASN 265 Ca 0.21 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.39 3iwp h ASN 265 Cb -0.06 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.55 3iwp h ASN 265 CO -0.04 0.05 -0.22 0.00 -0.37 0.00 0.00 177.43 176.85 3iwp h ALA 266 N 1.13 -0.57 0.00 1.57 0.00 0.18 -2.38 119.26 119.18 3iwp h ALA 266 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwp h ALA 266 Cb 0.07 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iwp h ALA 266 CO -0.10 -0.83 0.00 0.97 0.00 0.00 0.00 179.25 179.29 3iwp h ILE 267 N -0.58 0.00 -0.14 0.00 2.10 -1.21 -1.67 117.51 116.01 3iwp h ILE 267 Ca -0.05 -0.10 -0.17 0.00 1.08 0.00 0.00 64.86 65.62 3iwp h ILE 267 Cb 0.46 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 3iwp h ILE 267 CO 0.06 0.00 -0.62 0.00 -1.08 0.00 0.00 178.15 176.52 3iwp h ALA 268 N 2.01 0.67 -0.06 0.18 0.00 -0.84 -3.12 119.26 118.09 3iwp h ALA 268 Ca 0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 3iwp h ALA 268 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iwp h ALA 268 CO 0.00 0.71 -0.70 0.87 0.00 0.00 0.00 179.25 180.13 3iwp h LYS 269 N 0.36 0.28 -0.90 0.00 1.57 -1.12 -3.31 116.57 113.46 3iwp h LYS 269 Ca -0.01 -0.23 0.16 0.00 -1.87 0.00 0.00 60.65 58.71 3iwp h LYS 269 Cb 1.17 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.45 3iwp h LYS 269 CO 0.11 0.87 0.58 -0.97 -0.57 0.00 0.00 179.45 179.48 3iwp h ASN 270 N 0.20 0.60 -3.36 0.86 -1.24 -1.43 -3.40 115.58 107.80 3iwp h ASN 270 Ca -0.02 0.05 -0.57 0.00 0.71 0.00 0.00 56.30 56.47 3iwp h ASN 270 Cb 1.25 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 40.17 3iwp h ASN 270 CO 0.11 0.28 0.17 -0.63 -1.29 0.00 0.00 177.43 176.07 3iwp s ILE 271 N -5.62 5.00 0.00 2.57 1.01 -1.24 -5.13 121.20 117.79 3iwp s ILE 271 Ca -0.10 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.03 3iwp s ILE 271 Cb 0.22 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3iwp s ILE 271 CO 0.79 0.18 0.00 0.18 0.00 0.00 0.00 174.94 176.09