#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwp n GLY 25 N 0.00 0.00 3.75 4.83 0.00 -1.26 -5.13 105.19 107.39 3iwp n GLY 25 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3iwp n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwp s PHE 26 N 0.00 2.97 0.13 1.61 2.99 -1.26 -4.91 117.98 119.51 3iwp s PHE 26 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 56.93 56.88 3iwp s PHE 26 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 43.02 41.62 3iwp s PHE 26 CO 0.00 0.55 -0.13 -0.51 -0.00 0.00 0.00 175.22 175.13 3iwp s LEU 27 N -3.61 2.88 -0.30 -0.37 1.43 0.07 -5.00 118.68 113.78 3iwp s LEU 27 Ca 0.32 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3iwp s LEU 27 Cb -0.08 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.54 3iwp s LEU 27 CO 0.23 0.16 -0.02 -0.04 0.23 0.00 0.00 176.35 176.90 3iwp s MET 28 N -2.34 2.18 -0.37 1.70 -1.94 -1.26 -2.75 119.30 114.52 3iwp s MET 28 Ca 0.21 -1.43 -0.06 0.00 -1.71 0.00 0.00 55.69 52.69 3iwp s MET 28 Cb -0.10 -3.10 0.06 0.00 2.01 0.00 0.00 34.83 33.70 3iwp s MET 28 CO 0.13 -0.68 0.15 -2.00 -0.01 0.00 0.00 175.02 172.61 3iwp s GLU 29 N 1.13 2.50 0.19 2.03 2.12 -0.97 -1.05 118.70 124.65 3iwp s GLU 29 Ca -0.03 -1.37 0.01 0.00 0.36 0.00 0.00 54.97 53.94 3iwp s GLU 29 Cb -0.20 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 3iwp s GLU 29 CO -0.04 -0.81 0.35 0.08 -0.54 0.00 0.00 175.26 174.31 3iwp s VAL 30 N 1.35 5.26 -0.08 3.70 1.01 -1.05 -2.98 120.40 127.61 3iwp s VAL 30 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3iwp s VAL 30 Cb -0.21 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3iwp s VAL 30 CO 0.01 -0.18 0.12 0.00 0.00 0.00 0.00 175.10 175.05 3iwp s VAL 32 N -1.07 0.12 -0.02 0.00 1.01 -0.56 -4.93 120.40 114.93 3iwp s VAL 32 Ca 0.18 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3iwp s VAL 32 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 3iwp s VAL 32 CO 0.07 -0.41 -0.01 0.47 0.00 0.00 0.00 175.10 175.23 3iwp n ASP 33 N 1.85 4.20 -4.66 3.32 8.00 -1.25 -1.23 116.55 126.78 3iwp n ASP 33 Ca -0.22 -0.01 -0.35 0.00 0.71 0.00 0.00 54.79 54.93 3iwp n ASP 33 Cb 0.56 0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.87 3iwp n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3iwp s SER 34 N -3.66 5.14 0.36 -2.24 0.15 -1.26 -4.97 113.70 107.21 3iwp s SER 34 Ca -0.02 0.11 0.12 0.00 0.70 0.00 0.00 55.95 56.86 3iwp s SER 34 Cb 0.01 -1.45 0.93 0.00 -1.71 0.00 0.00 66.02 63.80 3iwp s SER 34 CO 0.08 0.36 1.78 0.58 1.20 0.00 0.00 173.24 177.24 3iwp h VAL 35 N 4.22 0.62 -0.80 4.45 2.07 -1.96 0.14 116.25 125.00 3iwp h VAL 35 Ca -0.49 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3iwp h VAL 35 Cb 1.19 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3iwp h VAL 35 CO 0.55 0.10 0.38 -0.08 0.02 0.00 0.00 177.57 178.54 3iwp h GLU 36 N 0.56 1.15 0.00 1.57 4.81 -1.99 -0.73 114.58 119.95 3iwp h GLU 36 Ca 0.57 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3iwp h GLU 36 Cb 1.18 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3iwp h GLU 36 CO -0.33 0.88 0.00 0.77 -0.73 0.00 0.00 179.01 179.60 3iwp h SER 37 N 1.13 0.00 0.13 1.04 0.02 -1.06 -2.08 113.55 112.73 3iwp h SER 37 Ca 0.27 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.91 3iwp h SER 37 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3iwp h SER 37 CO -0.03 0.00 -1.61 0.00 -1.14 0.00 0.00 176.83 174.05 3iwp h ALA 38 N 2.14 0.22 0.02 3.77 0.00 -0.34 -3.09 119.26 121.99 3iwp h ALA 38 Ca 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 54.91 53.75 3iwp h ALA 38 Cb 0.36 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3iwp h ALA 38 CO 0.00 0.96 -0.01 0.28 0.00 0.00 0.00 179.25 180.48 3iwp h VAL 39 N -0.15 1.21 -0.92 0.00 2.07 -1.05 -0.51 116.25 116.90 3iwp h VAL 39 Ca -0.34 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 66.59 3iwp h VAL 39 Cb 1.89 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 33.27 3iwp h VAL 39 CO 0.09 0.19 0.53 0.78 0.02 0.00 0.00 177.57 179.17 3iwp h ASN 40 N -0.35 0.72 -0.35 0.57 4.21 -1.57 0.41 115.58 119.22 3iwp h ASN 40 Ca -0.00 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 3iwp h ASN 40 Cb 0.33 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 3iwp h ASN 40 CO 0.01 0.34 0.14 0.00 -1.29 0.00 0.00 177.43 176.63 3iwp h ALA 41 N 1.55 0.45 0.26 -0.83 0.00 -1.41 0.66 119.26 119.93 3iwp h ALA 41 Ca 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3iwp h ALA 41 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3iwp h ALA 41 CO -0.31 0.05 -0.19 1.49 0.00 0.00 0.00 179.25 180.29 3iwp h GLU 42 N 0.42 -0.43 0.00 0.00 4.81 -0.32 0.13 114.58 119.18 3iwp h GLU 42 Ca 0.12 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3iwp h GLU 42 Cb 0.18 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3iwp h GLU 42 CO -0.01 -0.29 -0.16 -0.09 -0.73 0.00 0.00 179.01 177.73 3iwp h ARG 43 N -0.45 0.00 -0.01 1.92 2.43 0.03 -2.91 114.38 115.38 3iwp h ARG 43 Ca -0.02 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 3iwp h ARG 43 Cb 0.39 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3iwp h ARG 43 CO 0.00 0.16 -0.67 0.78 -1.51 0.00 0.00 179.97 178.73 3iwp h GLY 44 N 0.70 0.53 0.00 2.80 0.00 0.48 -3.48 103.07 104.10 3iwp h GLY 44 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 3iwp h GLY 44 CO 0.02 0.80 0.00 0.61 0.00 0.00 0.00 176.54 177.97 3iwp n GLY 45 N 1.03 -0.70 3.76 4.60 0.00 -0.80 -3.43 105.19 109.66 3iwp n GLY 45 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 3.66 -0.16 4.61 0.00 0.38 -4.82 121.76 125.43 3iwp s ALA 46 Ca 0.00 1.57 0.22 0.00 0.00 0.00 0.00 51.96 53.75 3iwp s ALA 46 Cb 0.00 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 19.37 3iwp s ALA 46 CO 0.00 -1.02 0.84 -0.25 0.00 0.00 0.00 175.76 175.33 3iwp n ASP 47 N 1.34 0.56 -3.42 0.00 8.00 -0.43 -4.71 116.55 117.90 3iwp n ASP 47 Ca 0.05 0.22 0.01 0.00 0.71 0.00 0.00 54.79 55.78 3iwp n ASP 47 Cb 0.38 0.96 -0.04 0.00 -0.02 0.00 0.00 41.12 42.41 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 -3.39 0.35 0.01 -1.24 3.00 -0.21 -4.38 118.95 113.09 3iwp s ARG 48 Ca -0.03 0.86 -0.14 0.00 -1.00 0.00 0.00 55.73 55.42 3iwp s ARG 48 Cb 0.11 0.51 -0.06 0.00 0.00 0.00 0.00 34.95 35.52 3iwp s ARG 48 CO 0.83 -0.15 0.40 0.96 0.00 0.00 0.00 175.30 177.34 3iwp s ILE 49 N 2.59 5.05 -0.13 4.11 -4.36 -0.95 -2.53 121.20 124.98 3iwp s ILE 49 Ca -0.02 0.77 -0.08 0.00 -0.26 0.00 0.00 60.65 61.06 3iwp s ILE 49 Cb -0.08 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.90 3iwp s ILE 49 CO -0.18 0.54 0.16 -0.70 0.24 0.00 0.00 174.94 175.00 3iwp s GLU 50 N -1.20 3.65 -0.31 0.37 2.12 0.26 -1.44 118.70 122.16 3iwp s GLU 50 Ca 0.25 -0.11 -0.15 0.00 0.36 0.00 0.00 54.97 55.32 3iwp s GLU 50 Cb -0.16 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 3iwp s GLU 50 CO 0.14 0.66 0.37 -0.51 -0.54 0.00 0.00 175.26 175.37 3iwp s LEU 51 N -0.69 4.24 -0.18 2.70 1.43 0.10 -1.50 118.68 124.79 3iwp s LEU 51 Ca 0.14 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3iwp s LEU 51 Cb -0.12 -2.38 0.06 0.00 0.03 0.00 0.00 46.19 43.77 3iwp s LEU 51 CO 0.03 -0.27 0.05 0.00 0.23 0.00 0.00 176.35 176.39 3iwp s SER 53 N 1.93 4.60 -1.45 0.00 0.15 -0.27 -3.87 113.70 114.79 3iwp s SER 53 Ca 0.00 -0.33 -0.08 0.00 0.70 0.00 0.00 55.95 56.24 3iwp s SER 53 Cb -0.16 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3iwp s SER 53 CO -0.08 -1.68 0.70 0.61 1.20 0.00 0.00 173.24 173.99 3iwp n GLY 54 N -2.69 -0.51 0.23 9.45 0.00 -1.26 0.24 105.19 110.65 3iwp n GLY 54 Ca 0.14 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 3iwp n GLY 54 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3iwp h LEU 55 N -1.52 -1.13 0.00 0.99 -0.00 -1.92 0.16 115.31 111.89 3iwp h LEU 55 Ca -0.51 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 3iwp h LEU 55 Cb 1.34 0.49 0.00 0.00 -0.00 0.00 0.00 40.66 42.49 3iwp h LEU 55 CO 0.58 -0.15 0.00 -1.54 -0.00 0.00 0.00 178.44 177.32 3iwp n SER 56 N -4.20 0.00 -0.20 0.17 3.41 -1.26 -2.38 113.62 109.16 3iwp n SER 56 Ca 0.00 -0.73 0.04 0.00 -0.26 0.00 0.00 58.87 57.92 3iwp n SER 56 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3iwp n SER 56 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3iwp n GLU 57 N -0.78 1.91 0.00 4.33 2.13 0.41 -4.98 120.64 123.67 3iwp n GLU 57 Ca 0.07 -0.60 0.00 0.00 0.66 0.00 0.00 57.16 57.29 3iwp n GLU 57 Cb 0.03 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3iwp n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iwp n GLY 58 N 0.75 1.77 0.00 8.31 0.00 -0.85 -4.68 105.19 110.49 3iwp n GLY 58 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.96 3.41 -0.02 0.00 -0.42 -4.98 105.19 104.15 3iwp n GLY 59 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 3iwp n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iwp s THR 60 N 0.00 2.15 -0.29 2.61 -4.23 0.66 -4.69 115.64 111.84 3iwp s THR 60 Ca 0.00 -2.29 -0.40 0.00 -1.18 0.00 0.00 61.69 57.82 3iwp s THR 60 Cb 0.00 -2.17 -0.16 0.00 1.34 0.00 0.00 72.50 71.52 3iwp s THR 60 CO 0.00 -0.46 1.75 1.07 -0.54 0.00 0.00 174.62 176.44 3iwp n THR 61 N -0.43 0.30 -1.93 3.99 5.66 0.31 -1.11 114.28 121.06 3iwp n THR 61 Ca -0.07 -0.05 -0.30 0.00 -3.05 0.00 0.00 64.05 60.58 3iwp n THR 61 Cb 0.60 -1.20 0.16 0.00 -1.55 0.00 0.00 70.33 68.34 3iwp n THR 61 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3iwp s PRO 62 N 3.57 0.96 0.26 1.09 0.04 -1.26 -4.67 135.00 135.01 3iwp s PRO 62 Ca 0.99 -0.30 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 3iwp s PRO 62 Cb -1.09 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 3iwp s PRO 62 CO 0.67 -2.21 0.75 -1.54 0.04 0.00 0.00 177.00 174.70 3iwp s SER 63 N -4.82 6.99 0.48 6.66 1.04 -1.26 -4.97 113.70 117.83 3iwp s SER 63 Ca 0.71 1.41 0.15 0.00 0.48 0.00 0.00 55.95 58.70 3iwp s SER 63 Cb -0.06 -2.42 1.12 0.00 0.10 0.00 0.00 66.02 64.77 3iwp s SER 63 CO 0.52 -0.05 2.07 0.24 0.98 0.00 0.00 173.24 176.99 3iwp h MET 64 N 3.03 0.01 -0.96 4.02 0.00 -1.96 -2.26 114.93 116.80 3iwp h MET 64 Ca -0.48 -0.00 0.02 0.00 0.00 0.00 0.00 59.70 59.24 3iwp h MET 64 Cb 1.19 -0.00 -0.05 0.00 0.00 0.00 0.00 31.60 32.74 3iwp h MET 64 CO 0.65 0.10 0.64 0.78 0.00 0.00 0.00 176.91 179.08 3iwp h GLY 65 N 0.29 1.36 0.64 8.32 0.00 -1.99 0.14 103.07 111.83 3iwp h GLY 65 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3iwp h GLY 65 CO 0.01 0.48 -0.04 -2.08 0.00 0.00 0.00 176.54 174.91 3iwp h VAL 66 N 1.29 1.34 -0.55 4.60 2.07 -1.83 -2.77 116.25 120.40 3iwp h VAL 66 Ca 0.36 -1.10 0.16 0.00 0.82 0.00 0.00 66.70 66.94 3iwp h VAL 66 Cb -0.12 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3iwp h VAL 66 CO -0.09 0.30 0.55 0.25 0.02 0.00 0.00 177.57 178.60 3iwp h LEU 67 N -0.27 0.00 0.05 2.57 5.85 -0.97 -0.44 115.31 122.10 3iwp h LEU 67 Ca 0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3iwp h LEU 67 Cb 0.51 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.54 3iwp h LEU 67 CO 0.01 0.00 -0.33 1.56 -0.34 0.00 0.00 178.44 179.34 3iwp h GLN 68 N 0.00 0.14 0.00 1.25 4.20 -0.52 -3.03 115.11 117.14 3iwp h GLN 68 Ca 0.26 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3iwp h GLN 68 Cb 1.35 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 3iwp h GLN 68 CO -0.00 1.08 -0.42 0.28 -0.67 0.00 0.00 178.83 179.09 3iwp h VAL 69 N -0.69 0.81 0.54 -0.54 2.07 -1.10 -2.80 116.25 114.54 3iwp h VAL 69 Ca -0.06 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.58 3iwp h VAL 69 Cb 1.24 2.19 0.01 0.00 -1.52 0.00 0.00 31.29 33.20 3iwp h VAL 69 CO 0.06 0.41 -0.26 0.58 0.02 0.00 0.00 177.57 178.39 3iwp h VAL 70 N 0.00 0.23 0.00 2.57 2.07 -1.24 -2.21 116.25 117.67 3iwp h VAL 70 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3iwp h VAL 70 Cb 1.15 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3iwp h VAL 70 CO 0.05 0.04 0.00 0.29 0.02 0.00 0.00 177.57 177.97 3iwp n LYS 71 N -5.28 0.09 0.04 1.57 5.02 -1.14 -0.53 118.16 117.93 3iwp n LYS 71 Ca -0.10 0.58 0.09 0.00 -2.02 0.00 0.00 58.31 56.86 3iwp n LYS 71 Cb 0.32 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.46 3iwp n LYS 71 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3iwp n GLN 72 N -1.97 0.63 0.00 1.97 7.27 -1.06 -4.44 117.38 119.78 3iwp n GLN 72 Ca -0.01 0.01 0.03 0.00 0.07 0.00 0.00 57.00 57.10 3iwp n GLN 72 Cb 0.02 -1.70 -0.03 0.00 2.41 0.00 0.00 30.24 30.94 3iwp n GLN 72 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3iwp n SER 73 N -2.55 0.38 -4.04 1.69 2.88 0.22 -4.99 113.62 107.21 3iwp n SER 73 Ca -0.04 -0.69 -0.23 0.00 -1.33 0.00 0.00 58.87 56.58 3iwp n SER 73 Cb 0.62 0.94 -0.16 0.00 -0.75 0.00 0.00 64.21 64.86 3iwp n SER 73 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3iwp s VAL 74 N -1.54 1.05 -0.06 2.46 1.01 0.31 -4.90 120.40 118.72 3iwp s VAL 74 Ca 0.03 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.64 3iwp s VAL 74 Cb 0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 36.38 35.26 3iwp s VAL 74 CO 0.25 0.32 0.61 0.00 0.00 0.00 0.00 175.10 176.28 3iwp n GLN 75 N 3.43 0.64 -1.75 2.72 6.02 -1.26 -4.60 117.38 122.58 3iwp n GLN 75 Ca -0.20 0.28 -0.41 0.00 -0.01 0.00 0.00 57.00 56.66 3iwp n GLN 75 Cb 0.53 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3iwp n GLN 75 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3iwp n ILE 76 N -3.06 2.12 -1.21 5.09 5.41 -1.26 -4.95 119.36 121.50 3iwp n ILE 76 Ca -0.19 -0.50 -0.35 0.00 1.00 0.00 0.00 62.75 62.71 3iwp n ILE 76 Cb 1.06 -1.83 0.09 0.00 -0.71 0.00 0.00 39.64 38.25 3iwp n ILE 76 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3iwp n PRO 77 N 0.37 0.28 -3.72 0.38 -0.04 -1.26 -4.80 135.00 126.22 3iwp n PRO 77 Ca 0.03 0.15 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 3iwp n PRO 77 Cb 0.38 -2.11 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 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 -1.98 0.34 0.19 0.52 1.01 -1.26 -2.24 120.40 116.99 3iwp s VAL 78 Ca 0.69 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 3iwp s VAL 78 Cb -0.32 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3iwp s VAL 78 CO 0.55 -0.09 0.39 -0.36 0.00 0.00 0.00 175.10 175.59 3iwp s PHE 79 N 1.95 3.48 -0.09 5.22 0.40 -0.52 -1.25 117.98 127.18 3iwp s PHE 79 Ca 0.01 0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.79 3iwp s PHE 79 Cb -0.15 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.47 3iwp s PHE 79 CO -0.07 0.39 -0.22 0.08 0.70 0.00 0.00 175.22 176.10 3iwp s VAL 80 N -1.82 2.29 0.01 -0.44 1.01 -0.08 0.03 120.40 121.40 3iwp s VAL 80 Ca 0.39 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3iwp s VAL 80 Cb -0.11 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3iwp s VAL 80 CO 0.28 0.56 1.07 -0.32 0.00 0.00 0.00 175.10 176.69 3iwp s MET 81 N 0.14 4.50 -0.78 2.72 1.75 -0.71 -0.77 119.30 126.15 3iwp s MET 81 Ca -0.11 1.55 0.03 0.00 -1.25 0.00 0.00 55.69 55.90 3iwp s MET 81 Cb -0.16 -3.44 0.19 0.00 2.84 0.00 0.00 34.83 34.26 3iwp s MET 81 CO 0.06 -0.16 0.60 -0.89 -0.65 0.00 0.00 175.02 173.98 3iwp n ILE 82 N 4.00 2.12 -3.80 10.11 2.08 0.70 -3.93 119.36 130.64 3iwp n ILE 82 Ca 0.07 -4.96 -0.27 0.00 0.56 0.00 0.00 62.75 58.15 3iwp n ILE 82 Cb 0.49 -2.25 -0.17 0.00 -0.75 0.00 0.00 39.64 36.96 3iwp n ILE 82 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3iwp s ARG 83 N -1.46 0.92 0.23 0.38 1.81 -1.26 -4.57 118.95 115.00 3iwp s ARG 83 Ca 0.26 -0.38 0.07 0.00 -1.72 0.00 0.00 55.73 53.96 3iwp s ARG 83 Cb -0.05 -1.89 0.20 0.00 -0.45 0.00 0.00 34.95 32.76 3iwp s ARG 83 CO -0.16 -0.51 1.52 -1.00 -0.68 0.00 0.00 175.30 174.47 3iwp h PRO 84 N 8.21 0.10 -3.51 3.54 0.13 -1.92 0.89 132.00 139.43 3iwp h PRO 84 Ca -0.19 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 3iwp h PRO 84 Cb 1.12 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 3iwp h PRO 84 CO 0.34 0.76 -0.14 -0.98 -0.23 0.00 0.00 178.00 177.76 3iwp s ARG 85 N -3.48 1.10 1.14 0.86 1.70 -1.26 -4.83 118.95 114.17 3iwp s ARG 85 Ca -0.02 -0.84 -0.19 0.00 -0.47 0.00 0.00 55.73 54.21 3iwp s ARG 85 Cb 0.12 0.45 0.28 0.00 -0.57 0.00 0.00 34.95 35.22 3iwp s ARG 85 CO 0.79 -0.42 1.06 0.41 -1.08 0.00 0.00 175.30 176.06 3iwp n GLY 86 N -0.22 -2.61 2.73 3.88 0.00 -1.26 -4.92 105.19 102.79 3iwp n GLY 86 Ca -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.24 -0.50 2.51 -0.02 0.00 -1.26 -5.00 105.19 96.68 3iwp n GLY 87 Ca 0.15 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 0.31 -2.47 -0.57 1.61 5.75 -1.26 -4.99 116.55 114.93 3iwp n ASP 88 Ca 0.00 -0.87 0.06 0.00 -0.01 0.00 0.00 54.79 53.97 3iwp n ASP 88 Cb 0.00 -0.74 0.16 0.00 -1.03 0.00 0.00 41.12 39.51 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 -4.56 0.00 -2.99 2.11 3.01 -1.26 -4.88 117.46 108.89 3iwp n PHE 89 Ca 0.11 -1.19 -0.44 0.00 1.01 0.00 0.00 57.45 56.94 3iwp n PHE 89 Cb 0.44 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 39.66 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 -2.63 4.82 -0.21 4.37 1.43 -1.26 -0.23 118.68 124.98 3iwp s LEU 90 Ca 0.34 -1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.20 3iwp s LEU 90 Cb 0.33 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 3iwp s LEU 90 CO -0.05 -1.24 0.26 -0.31 0.23 0.00 0.00 176.35 175.23 3iwp s TYR 91 N 3.36 3.38 0.88 0.29 1.51 -1.26 -5.07 117.35 120.44 3iwp s TYR 91 Ca 0.18 0.44 -0.12 0.00 -1.01 0.00 0.00 57.07 56.55 3iwp s TYR 91 Cb -0.20 -2.35 0.12 0.00 -0.11 0.00 0.00 41.96 39.42 3iwp s TYR 91 CO 0.09 0.11 1.12 -1.54 -1.11 0.00 0.00 175.55 174.23 3iwp s SER 92 N 0.83 3.76 0.25 2.29 1.04 -1.26 -4.78 113.70 115.84 3iwp s SER 92 Ca 0.13 1.10 -0.05 0.00 0.48 0.00 0.00 55.95 57.61 3iwp s SER 92 Cb -0.13 -1.74 0.32 0.00 0.10 0.00 0.00 66.02 64.57 3iwp s SER 92 CO 0.04 -2.41 1.89 0.44 0.98 0.00 0.00 173.24 174.19 3iwp h ASP 93 N -1.39 0.99 -0.34 7.02 5.19 -1.99 -0.96 116.42 124.94 3iwp h ASP 93 Ca -0.50 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.83 3iwp h ASP 93 Cb 1.31 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 3iwp h ASP 93 CO 0.61 0.67 -0.08 0.03 -3.12 0.00 0.00 179.24 177.34 3iwp h ARG 94 N 1.15 0.76 -0.09 3.56 3.08 -1.99 -2.21 114.38 118.63 3iwp h ARG 94 Ca 0.38 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3iwp h ARG 94 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3iwp h ARG 94 CO -0.13 0.82 0.00 0.93 -1.07 0.00 0.00 179.97 180.52 3iwp h GLU 95 N 0.69 0.16 -0.32 0.04 5.08 -1.66 -2.68 114.58 115.90 3iwp h GLU 95 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3iwp h GLU 95 Cb 0.54 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3iwp h GLU 95 CO 0.03 0.41 0.20 -0.84 -1.00 0.00 0.00 179.01 177.81 3iwp h ILE 96 N -0.11 1.09 -0.49 3.13 3.07 -1.16 -0.60 117.51 122.44 3iwp h ILE 96 Ca 0.03 -0.17 -0.06 0.00 1.55 0.00 0.00 64.86 66.21 3iwp h ILE 96 Cb 0.33 0.63 -0.02 0.00 -0.27 0.00 0.00 36.82 37.49 3iwp h ILE 96 CO 0.00 0.08 0.06 -0.08 -1.05 0.00 0.00 178.15 177.17 3iwp h GLU 97 N 0.43 0.77 -0.09 0.16 4.81 -1.30 0.13 114.58 119.50 3iwp h GLU 97 Ca 0.12 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.97 3iwp h GLU 97 Cb -0.04 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 3iwp h GLU 97 CO -0.02 0.74 -0.75 0.28 -0.73 0.00 0.00 179.01 178.53 3iwp h VAL 98 N 0.74 1.36 -0.10 0.32 2.07 -0.82 -2.55 116.25 117.27 3iwp h VAL 98 Ca 0.15 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 3iwp h VAL 98 Cb 0.37 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3iwp h VAL 98 CO 0.01 0.64 0.02 0.24 0.02 0.00 0.00 177.57 178.51 3iwp h MET 99 N 0.33 0.16 -0.44 1.57 2.86 -0.85 -0.15 114.93 118.40 3iwp h MET 99 Ca -0.04 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3iwp h MET 99 Cb 1.34 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.90 3iwp h MET 99 CO 0.13 0.34 -0.04 0.87 1.06 0.00 0.00 176.91 179.27 3iwp h LYS 100 N -0.05 0.06 0.00 1.72 1.57 -0.77 0.14 116.57 119.25 3iwp h LYS 100 Ca 0.03 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3iwp h LYS 100 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3iwp h LYS 100 CO 0.00 0.04 -0.37 0.00 -0.57 0.00 0.00 179.45 178.55 3iwp h ALA 101 N 1.41 1.13 0.01 3.86 0.00 -1.38 -2.82 119.26 121.47 3iwp h ALA 101 Ca 0.22 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3iwp h ALA 101 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3iwp h ALA 101 CO -0.40 0.46 -0.92 -0.44 0.00 0.00 0.00 179.25 177.95 3iwp h ASP 102 N 0.00 0.07 0.22 0.00 3.45 -0.05 -2.53 116.42 117.58 3iwp h ASP 102 Ca -0.00 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 3iwp h ASP 102 Cb 0.78 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.52 3iwp h ASP 102 CO 0.05 0.95 -0.19 0.40 -1.57 0.00 0.00 179.24 178.88 3iwp h ILE 103 N 0.02 0.00 -0.84 0.35 1.08 -0.52 -1.45 117.51 116.15 3iwp h ILE 103 Ca -0.02 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.65 3iwp h ILE 103 Cb 1.60 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.23 3iwp h ILE 103 CO 0.13 0.00 0.24 0.03 -0.69 0.00 0.00 178.15 177.86 3iwp h ARG 104 N -0.40 0.26 -0.21 2.37 3.08 -1.59 -0.50 114.38 117.38 3iwp h ARG 104 Ca -0.03 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3iwp h ARG 104 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3iwp h ARG 104 CO -0.01 0.17 -0.37 -0.07 -1.07 0.00 0.00 179.97 178.62 3iwp h LEU 105 N 0.26 0.48 -0.37 3.04 -0.00 -1.42 -1.40 115.31 115.91 3iwp h LEU 105 Ca 0.51 -0.20 -0.05 0.00 -0.00 0.00 0.00 57.88 58.14 3iwp h LEU 105 Cb 0.97 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 3iwp h LEU 105 CO -0.59 0.81 0.03 0.00 -0.00 0.00 0.00 178.44 178.69 3iwp h ALA 106 N 1.22 0.49 -0.02 1.53 0.00 0.01 -2.82 119.26 119.67 3iwp h ALA 106 Ca 0.04 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3iwp h ALA 106 Cb 0.82 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3iwp h ALA 106 CO 0.07 0.23 -0.38 0.87 0.00 0.00 0.00 179.25 180.03 3iwp h LYS 107 N 0.46 -0.50 -1.04 0.00 1.57 -1.15 -2.68 116.57 113.23 3iwp h LYS 107 Ca 0.11 0.03 0.30 0.00 -1.87 0.00 0.00 60.65 59.22 3iwp h LYS 107 Cb 0.41 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.70 3iwp h LYS 107 CO 0.01 -0.34 0.62 -0.07 -0.57 0.00 0.00 179.45 179.11 3iwp h LEU 108 N -0.52 0.54 -3.71 2.94 3.38 -1.02 0.38 115.31 117.30 3iwp h LEU 108 Ca 0.06 0.15 -0.33 0.00 0.09 0.00 0.00 57.88 57.85 3iwp h LEU 108 Cb 0.62 0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.25 3iwp h LEU 108 CO -0.31 -0.02 0.32 -1.22 0.09 0.00 0.00 178.44 177.30 3iwp n TYR 109 N -4.88 2.21 0.00 1.13 4.01 -1.10 -5.03 117.16 113.49 3iwp n TYR 109 Ca 0.29 -1.61 0.00 0.00 -0.16 0.00 0.00 57.90 56.42 3iwp n TYR 109 Cb 0.92 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3iwp n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iwp n GLY 110 N -0.94 0.83 2.31 2.72 0.00 0.13 -4.70 105.19 105.54 3iwp n GLY 110 Ca 0.46 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.37 -3.49 1.44 4.61 0.00 -1.24 -4.04 120.51 117.43 3iwp n ALA 111 Ca 0.00 1.43 0.13 0.00 0.00 0.00 0.00 53.44 55.00 3iwp n ALA 111 Cb 0.00 -2.79 0.73 0.00 0.00 0.00 0.00 19.45 17.39 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 1.05 0.00 -3.61 0.00 8.00 -0.38 -4.77 116.55 116.84 3iwp n ASP 112 Ca -0.23 -0.42 -0.00 0.00 0.71 0.00 0.00 54.79 54.85 3iwp n ASP 112 Cb 0.36 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.33 -0.34 -0.05 0.44 0.00 -1.25 -4.08 107.32 99.70 3iwp s GLY 113 Ca 0.32 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.40 3iwp s GLY 113 CO 0.36 0.39 -0.07 1.08 0.00 0.00 0.00 173.10 174.86 3iwp s LEU 114 N -2.51 1.43 -0.12 0.66 1.43 -0.39 -0.90 118.68 118.27 3iwp s LEU 114 Ca 0.13 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3iwp s LEU 114 Cb 0.03 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 3iwp s LEU 114 CO -0.04 -0.03 0.00 -0.69 0.23 0.00 0.00 176.35 175.82 3iwp s VAL 115 N 0.84 4.30 -0.03 -1.59 1.01 0.05 -2.24 120.40 122.74 3iwp s VAL 115 Ca -0.12 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 3iwp s VAL 115 Cb -0.15 -2.85 0.11 0.00 0.00 0.00 0.00 36.38 33.50 3iwp s VAL 115 CO 0.01 0.56 1.12 0.72 0.00 0.00 0.00 175.10 177.51 3iwp s PHE 116 N -0.40 -0.14 -0.00 5.22 -0.12 -0.98 -0.22 117.98 121.34 3iwp s PHE 116 Ca 0.08 0.01 -0.19 0.00 -0.05 0.00 0.00 56.93 56.77 3iwp s PHE 116 Cb -0.12 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3iwp s PHE 116 CO 0.02 -0.42 0.42 0.20 -0.05 0.00 0.00 175.22 175.39 3iwp s GLY 117 N -2.64 -0.28 -0.05 1.99 0.00 -1.26 -2.95 107.32 102.12 3iwp s GLY 117 Ca 0.11 0.53 -0.12 0.00 0.00 0.00 0.00 44.72 45.24 3iwp s GLY 117 CO -0.04 0.27 0.27 0.00 0.00 0.00 0.00 173.10 173.61 3iwp s ALA 118 N -1.68 -0.67 0.24 3.20 0.00 -1.26 -4.93 121.76 116.66 3iwp s ALA 118 Ca -0.10 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3iwp s ALA 118 Cb -0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3iwp s ALA 118 CO 0.03 -0.20 -0.03 -0.51 0.00 0.00 0.00 175.76 175.06 3iwp s LEU 119 N -0.75 2.29 0.01 0.00 2.01 0.68 -1.87 118.68 121.06 3iwp s LEU 119 Ca -0.08 -1.19 0.04 0.00 0.01 0.00 0.00 54.13 52.90 3iwp s LEU 119 Cb -0.04 -0.37 -0.03 0.00 0.01 0.00 0.00 46.19 45.75 3iwp s LEU 119 CO 0.02 -0.45 -0.09 -0.89 1.01 0.00 0.00 176.35 175.95 3iwp s THR 120 N -3.30 3.45 0.00 5.49 2.01 0.42 -4.26 115.64 119.44 3iwp s THR 120 Ca 0.28 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.42 3iwp s THR 120 Cb 0.05 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.07 3iwp s THR 120 CO 0.09 0.39 0.00 1.21 -0.69 0.00 0.00 174.62 175.62 3iwp n GLU 121 N 1.59 0.00 -0.73 4.92 2.13 -1.26 0.12 120.64 127.40 3iwp n GLU 121 Ca -0.16 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.69 3iwp n GLU 121 Cb 0.52 0.00 0.30 0.00 0.27 0.00 0.00 31.44 32.53 3iwp n GLU 121 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3iwp n ASP 122 N -3.64 4.58 0.00 4.31 3.85 -1.26 -4.91 116.55 119.49 3iwp n ASP 122 Ca 0.00 -2.78 0.00 0.00 -0.71 0.00 0.00 54.79 51.30 3iwp n ASP 122 Cb 0.00 -0.66 0.00 0.00 -1.35 0.00 0.00 41.12 39.11 3iwp n ASP 122 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3iwp n GLY 123 N 0.35 0.54 3.85 6.12 0.00 0.32 -4.66 105.19 111.71 3iwp n GLY 123 Ca 0.24 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 3.26 0.46 1.61 3.76 -1.21 -1.06 115.29 120.11 3iwp s HIS 124 Ca 0.00 0.03 -0.25 0.00 -0.15 0.00 0.00 55.06 54.70 3iwp s HIS 124 Cb 0.00 -1.57 -0.08 0.00 1.11 0.00 0.00 32.58 32.05 3iwp s HIS 124 CO 0.00 0.52 1.35 0.96 -0.85 0.00 0.00 174.74 176.72 3iwp s ILE 125 N -1.74 2.34 -1.42 0.60 -0.00 -1.26 0.16 121.20 119.88 3iwp s ILE 125 Ca 0.32 0.29 -0.14 0.00 -0.00 0.00 0.00 60.65 61.12 3iwp s ILE 125 Cb -0.10 -3.16 0.05 0.00 -0.00 0.00 0.00 42.46 39.24 3iwp s ILE 125 CO 0.25 0.03 2.12 -0.67 -0.00 0.00 0.00 174.94 176.67 3iwp n ASP 126 N -0.30 4.12 -0.19 4.36 4.64 -0.78 -4.61 116.55 123.79 3iwp n ASP 126 Ca 0.06 -2.87 -0.05 0.00 -1.38 0.00 0.00 54.79 50.55 3iwp n ASP 126 Cb 0.44 -1.67 -0.05 0.00 -1.04 0.00 0.00 41.12 38.80 3iwp n ASP 126 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3iwp n LYS 127 N 6.39 -0.20 -0.23 -0.67 5.02 -1.26 -1.03 118.16 126.18 3iwp n LYS 127 Ca 0.51 0.85 -0.02 0.00 -2.02 0.00 0.00 58.31 57.63 3iwp n LYS 127 Cb 0.40 -1.25 0.09 0.00 -0.02 0.00 0.00 35.03 34.25 3iwp n LYS 127 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3iwp h GLU 128 N 0.00 0.65 -0.04 1.97 4.81 -2.01 -2.85 114.58 117.12 3iwp h GLU 128 Ca 0.07 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 3iwp h GLU 128 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3iwp h GLU 128 CO -0.43 0.43 -0.77 1.25 -0.73 0.00 0.00 179.01 178.76 3iwp h LEU 129 N 0.67 0.36 -0.62 1.64 6.46 -1.50 -2.59 115.31 119.73 3iwp h LEU 129 Ca 0.29 -0.25 -0.14 0.00 -0.12 0.00 0.00 57.88 57.66 3iwp h LEU 129 Cb 0.18 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3iwp h LEU 129 CO -0.18 1.00 -0.46 0.00 -0.62 0.00 0.00 178.44 178.18 3iwp h MET 131 N 0.44 -0.12 -0.65 0.00 2.86 -1.44 0.21 114.93 116.24 3iwp h MET 131 Ca 0.03 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3iwp h MET 131 Cb 0.98 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.61 3iwp h MET 131 CO 0.09 -0.08 0.37 1.03 1.06 0.00 0.00 176.91 179.38 3iwp h SER 132 N -0.12 0.55 0.91 1.22 0.87 -1.17 0.32 113.55 116.13 3iwp h SER 132 Ca 0.03 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 3iwp h SER 132 Cb 0.16 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3iwp h SER 132 CO -0.08 0.37 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.06 3iwp h LEU 133 N 0.69 0.00 0.07 2.23 3.38 -0.85 -3.19 115.31 117.63 3iwp h LEU 133 Ca 0.28 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.97 3iwp h LEU 133 Cb 0.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.92 3iwp h LEU 133 CO -0.16 0.46 -1.19 -0.03 0.09 0.00 0.00 178.44 177.60 3iwp h MET 134 N 0.00 0.59 -0.41 1.13 4.05 0.47 -2.46 114.93 118.29 3iwp h MET 134 Ca -0.00 -0.76 0.08 0.00 -0.28 0.00 0.00 59.70 58.73 3iwp h MET 134 Cb 1.04 0.25 -0.09 0.00 -0.80 0.00 0.00 31.60 31.99 3iwp h MET 134 CO 0.06 1.34 -0.34 0.00 0.23 0.00 0.00 176.91 178.20 3iwp h ALA 135 N 0.37 -0.20 0.00 0.39 0.00 -0.40 0.36 119.26 119.78 3iwp h ALA 135 Ca -0.17 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3iwp h ALA 135 Cb 1.86 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 20.37 3iwp h ALA 135 CO 0.23 -0.74 -0.35 -0.84 0.00 0.00 0.00 179.25 177.55 3iwp h ILE 136 N -0.25 0.87 -0.32 0.00 3.07 -1.64 -3.15 117.51 116.09 3iwp h ILE 136 Ca 0.17 -1.40 -0.14 0.00 1.55 0.00 0.00 64.86 65.04 3iwp h ILE 136 Cb 0.54 1.85 -0.00 0.00 -0.27 0.00 0.00 36.82 38.95 3iwp h ILE 136 CO -0.55 0.34 -0.37 0.00 -1.05 0.00 0.00 178.15 176.52 3iwp s ARG 138 N -4.32 3.79 0.00 0.00 1.81 0.11 -1.90 118.95 118.44 3iwp s ARG 138 Ca -0.12 2.26 0.21 0.00 -1.72 0.00 0.00 55.73 56.36 3iwp s ARG 138 Cb 0.10 -2.67 0.98 0.00 -0.45 0.00 0.00 34.95 32.90 3iwp s ARG 138 CO 0.86 -0.68 1.66 -0.35 -0.68 0.00 0.00 175.30 176.11 3iwp n PRO 139 N -0.11 1.37 -2.22 3.54 -0.04 -1.26 -4.99 135.00 131.30 3iwp n PRO 139 Ca 0.05 -0.55 -0.35 0.00 -0.04 0.00 0.00 63.50 62.61 3iwp n PRO 139 Cb 0.43 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.62 3.70 0.23 1.53 1.43 -0.80 -4.97 118.68 118.19 3iwp s LEU 140 Ca 0.31 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 55.22 3iwp s LEU 140 Cb 0.16 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 3iwp s LEU 140 CO 0.25 -1.22 1.40 -2.16 0.23 0.00 0.00 176.35 174.86 3iwp s PRO 141 N -3.42 4.30 -0.23 1.29 0.04 -1.26 -4.86 135.00 130.86 3iwp s PRO 141 Ca 0.71 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 63.97 3iwp s PRO 141 Cb -0.22 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.21 3iwp s PRO 141 CO 0.28 -0.38 -0.09 0.08 0.04 0.00 0.00 177.00 176.94 3iwp s VAL 142 N 0.07 2.67 -0.15 -0.36 1.01 -1.26 -1.27 120.40 121.11 3iwp s VAL 142 Ca 0.59 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3iwp s VAL 142 Cb -0.40 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3iwp s VAL 142 CO 0.41 0.26 0.06 0.28 0.00 0.00 0.00 175.10 176.11 3iwp s THR 143 N 1.31 4.78 0.03 3.92 -1.32 -0.95 -1.70 115.64 121.72 3iwp s THR 143 Ca 0.01 -0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 60.22 3iwp s THR 143 Cb -0.16 -3.11 -0.06 0.00 -1.51 0.00 0.00 72.50 67.66 3iwp s THR 143 CO -0.06 0.52 0.66 0.12 -2.21 0.00 0.00 174.62 173.65 3iwp s PHE 144 N -0.13 3.73 0.00 9.09 5.36 0.04 -2.31 117.98 133.76 3iwp s PHE 144 Ca 0.07 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 3iwp s PHE 144 Cb -0.12 -2.67 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 3iwp s PHE 144 CO 0.01 0.37 0.00 -2.39 -1.46 0.00 0.00 175.22 171.76 3iwp n HIS 145 N 2.52 -0.83 -0.44 10.12 1.44 -1.15 -0.45 115.22 126.43 3iwp n HIS 145 Ca -0.06 0.00 0.40 0.00 -2.01 0.00 0.00 57.72 56.06 3iwp n HIS 145 Cb 0.51 0.00 0.67 0.00 0.12 0.00 0.00 29.99 31.29 3iwp n HIS 145 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3iwp h ARG 146 N 0.00 0.00 0.00 -1.40 2.47 -1.93 -1.20 114.38 112.33 3iwp h ARG 146 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3iwp h ARG 146 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3iwp h ARG 146 CO 0.00 0.00 0.44 0.00 0.56 0.00 0.00 179.97 180.97 3iwp h ALA 147 N 0.91 1.43 -0.75 0.04 0.00 -1.92 0.50 119.26 119.46 3iwp h ALA 147 Ca 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.57 3iwp h ALA 147 Cb 3.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.91 3iwp h ALA 147 CO -0.01 -0.43 0.34 0.35 0.00 0.00 0.00 179.25 179.50 3iwp h PHE 148 N 0.00 1.11 0.00 0.00 3.57 -1.46 -2.72 116.94 117.44 3iwp h PHE 148 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3iwp h PHE 148 Cb 0.89 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3iwp h PHE 148 CO 0.00 0.83 0.13 -0.44 -2.23 0.00 0.00 178.31 176.60 3iwp h ASP 149 N 1.07 0.00 -0.47 0.41 3.32 -0.24 -0.84 116.42 119.66 3iwp h ASP 149 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3iwp h ASP 149 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3iwp h ASP 149 CO -0.03 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.72 3iwp n MET 150 N -2.42 2.31 -2.08 3.56 2.81 -1.02 -4.50 117.12 115.77 3iwp n MET 150 Ca -0.02 -2.01 -0.33 0.00 -1.81 0.00 0.00 57.70 53.54 3iwp n MET 150 Cb 0.17 -1.46 0.01 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.38 3.76 0.09 2.03 1.01 -0.32 -4.83 120.40 120.76 3iwp s VAL 151 Ca 0.38 0.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.15 3iwp s VAL 151 Cb 0.21 -3.37 -0.25 0.00 0.00 0.00 0.00 36.38 32.96 3iwp s VAL 151 CO 0.28 -0.47 1.19 -0.74 0.00 0.00 0.00 175.10 175.36 3iwp h HIS 152 N 0.54 0.71 -2.64 5.22 2.76 -1.36 -3.42 115.15 116.96 3iwp h HIS 152 Ca -0.47 -0.45 -0.59 0.00 -2.20 0.00 0.00 60.37 56.66 3iwp h HIS 152 Cb 1.22 -0.06 -0.39 0.00 1.55 0.00 0.00 27.41 29.73 3iwp h HIS 152 CO 0.58 1.30 -0.85 0.34 -1.30 0.00 0.00 177.93 178.01 3iwp s ASP 153 N -7.23 2.76 0.10 3.26 -1.08 -1.26 -4.97 116.67 108.25 3iwp s ASP 153 Ca -0.06 -2.68 0.13 0.00 -0.52 0.00 0.00 52.55 49.42 3iwp s ASP 153 Cb 0.07 -0.63 0.60 0.00 -1.46 0.00 0.00 42.92 41.49 3iwp s ASP 153 CO 0.90 -0.24 1.41 -0.81 0.52 0.00 0.00 175.17 176.94 3iwp n PRO 154 N 3.41 0.06 0.17 4.34 -0.04 -1.26 -1.48 135.00 140.20 3iwp n PRO 154 Ca 0.17 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.95 3iwp n PRO 154 Cb 0.40 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 3iwp n PRO 154 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3iwp h MET 155 N 0.00 -0.49 -0.08 0.54 2.86 -1.99 -3.09 114.93 112.68 3iwp h MET 155 Ca 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3iwp h MET 155 Cb 0.16 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3iwp h MET 155 CO 0.00 -0.23 0.00 0.00 1.06 0.00 0.00 176.91 177.74 3iwp n ALA 156 N -2.68 2.57 -0.06 6.32 0.00 -1.09 -3.57 120.51 122.00 3iwp n ALA 156 Ca -0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 3iwp n ALA 156 Cb 0.24 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 3iwp n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwp n ALA 157 N -0.08 1.32 -0.17 0.00 0.00 -0.55 -3.05 120.51 117.99 3iwp n ALA 157 Ca 0.17 -0.94 0.02 0.00 0.00 0.00 0.00 53.44 52.69 3iwp n ALA 157 Cb 0.26 -0.46 0.29 0.00 0.00 0.00 0.00 19.45 19.54 3iwp n ALA 157 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iwp h LEU 158 N 0.02 0.76 -0.31 0.00 5.85 -1.62 0.20 115.31 120.21 3iwp h LEU 158 Ca -0.46 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.28 3iwp h LEU 158 Cb 2.05 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.86 3iwp h LEU 158 CO 0.03 0.54 0.12 -0.08 -0.34 0.00 0.00 178.44 178.71 3iwp h GLU 159 N 0.89 0.26 -0.52 1.25 4.57 -1.67 -1.75 114.58 117.61 3iwp h GLU 159 Ca 0.26 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.31 3iwp h GLU 159 Cb -0.06 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 3iwp h GLU 159 CO -0.06 0.17 -0.11 1.15 -1.18 0.00 0.00 179.01 178.98 3iwp h THR 160 N 0.27 1.27 0.00 0.32 2.02 -1.35 0.19 112.91 115.62 3iwp h THR 160 Ca 0.14 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.06 3iwp h THR 160 Cb 0.09 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3iwp h THR 160 CO -0.13 0.44 0.00 -0.07 0.37 0.00 0.00 175.52 176.13 3iwp h LEU 161 N 0.87 0.00 0.06 2.58 3.38 -0.37 -0.09 115.31 121.74 3iwp h LEU 161 Ca 0.14 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.79 3iwp h LEU 161 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3iwp h LEU 161 CO 0.05 0.00 -1.72 0.18 0.09 0.00 0.00 178.44 177.03 3iwp n LEU 162 N -2.86 2.28 0.17 1.67 4.77 -0.68 -2.58 117.00 119.77 3iwp n LEU 162 Ca -0.01 0.30 0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3iwp n LEU 162 Cb 0.14 -1.03 0.47 0.00 -2.33 0.00 0.00 43.42 40.67 3iwp n LEU 162 CO 0.20 0.59 0.83 0.00 -1.33 0.00 0.00 177.39 177.68 3iwp h THR 163 N -0.45 0.00 0.00 -5.08 1.03 0.13 0.12 112.91 108.67 3iwp h THR 163 Ca -0.41 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 3iwp h THR 163 Cb 1.69 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 3iwp h THR 163 CO -0.07 0.00 -1.22 0.18 -0.01 0.00 0.00 175.52 174.39 3iwp n LEU 164 N -2.17 0.24 -1.44 0.00 4.77 -0.12 -5.05 117.00 113.22 3iwp n LEU 164 Ca -0.01 -0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 55.71 3iwp n LEU 164 Cb 0.22 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3iwp n LEU 164 CO 0.08 0.06 0.06 0.61 -1.33 0.00 0.00 177.39 176.86 3iwp n GLY 165 N 1.57 0.45 3.81 -0.72 0.00 0.03 -5.02 105.19 105.32 3iwp n GLY 165 Ca -0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.09 3.07 -0.13 1.61 0.40 -1.07 -4.94 117.98 113.83 3iwp s PHE 166 Ca 0.12 1.44 0.18 0.00 -0.60 0.00 0.00 56.93 58.07 3iwp s PHE 166 Cb -0.05 -2.91 -0.20 0.00 0.51 0.00 0.00 43.02 40.37 3iwp s PHE 166 CO 0.20 -1.23 0.58 0.39 0.70 0.00 0.00 175.22 175.87 3iwp n GLU 167 N -2.92 0.64 -3.78 0.44 4.71 -0.69 -4.80 120.64 114.25 3iwp n GLU 167 Ca 0.08 0.09 -0.12 0.00 -0.01 0.00 0.00 57.16 57.19 3iwp n GLU 167 Cb 0.53 -1.69 -0.08 0.00 -1.01 0.00 0.00 31.44 29.19 3iwp n GLU 167 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3iwp s ARG 168 N -2.94 0.68 -0.09 3.49 0.52 -1.25 -2.08 118.95 117.28 3iwp s ARG 168 Ca -0.06 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 3iwp s ARG 168 Cb 0.09 0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.88 3iwp s ARG 168 CO 0.83 -0.19 -0.05 0.08 0.02 0.00 0.00 175.30 175.99 3iwp s VAL 169 N -1.69 0.78 -0.12 3.52 1.01 -0.40 -0.78 120.40 122.72 3iwp s VAL 169 Ca -0.11 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3iwp s VAL 169 Cb -0.04 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3iwp s VAL 169 CO 0.02 0.32 0.98 -0.76 0.00 0.00 0.00 175.10 175.66 3iwp s LEU 170 N 1.72 4.23 0.10 3.92 1.43 0.40 -0.35 118.68 130.15 3iwp s LEU 170 Ca 0.04 1.48 -0.19 0.00 -1.03 0.00 0.00 54.13 54.43 3iwp s LEU 170 Cb -0.13 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.63 3iwp s LEU 170 CO -0.06 -0.45 0.46 0.28 0.23 0.00 0.00 176.35 176.81 3iwp s THR 171 N 2.06 0.05 -0.05 5.49 -1.32 -0.08 -3.18 115.64 118.61 3iwp s THR 171 Ca 0.47 -0.40 0.22 0.00 -1.21 0.00 0.00 61.69 60.77 3iwp s THR 171 Cb -0.18 -1.07 0.42 0.00 -1.51 0.00 0.00 72.50 70.15 3iwp s THR 171 CO 0.17 -0.22 1.18 -1.54 -2.21 0.00 0.00 174.62 172.00 3iwp n SER 172 N -0.03 1.15 -0.58 8.08 3.41 -1.26 0.12 113.62 124.50 3iwp n SER 172 Ca -0.17 -2.45 -0.08 0.00 -0.26 0.00 0.00 58.87 55.91 3iwp n SER 172 Cb 0.63 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.10 0.96 2.69 5.00 0.00 -1.25 -2.73 105.19 109.95 3iwp n GLY 173 Ca 0.09 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.02 1.25 0.15 0.00 1.01 -1.11 -5.01 116.67 109.94 3iwp s ASP 175 Ca 0.29 -1.41 -0.13 0.00 0.71 0.00 0.00 52.55 52.00 3iwp s ASP 175 Cb -0.13 0.20 0.13 0.00 1.01 0.00 0.00 42.92 44.13 3iwp s ASP 175 CO 0.36 -0.76 1.03 -0.24 0.21 0.00 0.00 175.17 175.77 3iwp n SER 176 N -0.54 -0.47 -1.94 0.27 2.88 -1.26 -4.75 113.62 107.80 3iwp n SER 176 Ca 0.00 1.16 -0.07 0.00 -1.33 0.00 0.00 58.87 58.64 3iwp n SER 176 Cb 0.66 -0.25 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 3iwp n SER 176 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3iwp n SER 177 N -4.95 -0.71 0.07 -3.46 3.41 -1.26 -4.90 113.62 101.81 3iwp n SER 177 Ca 0.06 -1.88 -0.09 0.00 -0.26 0.00 0.00 58.87 56.69 3iwp n SER 177 Cb 0.25 1.30 0.03 0.00 -0.26 0.00 0.00 64.21 65.53 3iwp n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwp h ALA 178 N 1.76 0.60 0.00 7.33 0.00 0.96 -2.10 119.26 127.81 3iwp h ALA 178 Ca -0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 3iwp h ALA 178 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iwp h ALA 178 CO 0.18 0.80 -0.06 1.25 0.00 0.00 0.00 179.25 181.43 3iwp h LEU 179 N 0.21 0.00 0.12 0.00 5.85 -1.88 0.11 115.31 119.71 3iwp h LEU 179 Ca -0.03 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.36 3iwp h LEU 179 Cb 1.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3iwp h LEU 179 CO 0.13 0.06 -1.74 -0.33 -0.34 0.00 0.00 178.44 176.21 3iwp h GLU 180 N 0.00 0.25 -0.60 1.25 4.39 -1.80 -3.35 114.58 114.71 3iwp h GLU 180 Ca -0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3iwp h GLU 180 Cb 0.32 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3iwp h GLU 180 CO 0.01 1.20 0.00 0.41 -1.16 0.00 0.00 179.01 179.47 3iwp n GLY 181 N 1.84 1.92 0.36 -3.84 0.00 -0.81 -4.46 105.19 100.20 3iwp n GLY 181 Ca -0.29 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 3.15 0.89 -0.46 0.99 6.46 -1.11 -2.08 115.31 123.16 3iwp h LEU 182 Ca 0.00 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 3iwp h LEU 182 Cb 1.02 -0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 40.73 3iwp h LEU 182 CO 0.12 0.46 -0.33 -0.65 -0.62 0.00 0.00 178.44 177.43 3iwp h PRO 183 N 0.96 -0.21 0.00 5.25 0.11 -1.88 -2.20 132.00 134.02 3iwp h PRO 183 Ca 0.50 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.54 3iwp h PRO 183 Cb 0.52 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3iwp h PRO 183 CO -0.28 -0.14 -0.39 1.25 -0.21 0.00 0.00 178.00 178.23 3iwp h LEU 184 N -0.22 0.00 -1.40 2.35 5.85 -1.78 -2.57 115.31 117.54 3iwp h LEU 184 Ca 0.19 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3iwp h LEU 184 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3iwp h LEU 184 CO -0.58 0.39 -0.29 0.16 -0.34 0.00 0.00 178.44 177.78 3iwp h ILE 185 N 0.00 0.97 0.50 4.05 3.07 -1.10 -2.14 117.51 122.86 3iwp h ILE 185 Ca -0.00 -1.07 -0.02 0.00 1.55 0.00 0.00 64.86 65.31 3iwp h ILE 185 Cb 0.94 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 3iwp h ILE 185 CO 0.05 0.28 -0.24 0.11 -1.05 0.00 0.00 178.15 177.30 3iwp h LYS 186 N 0.00 -0.65 -1.43 0.16 1.57 -0.99 -2.58 116.57 112.64 3iwp h LYS 186 Ca -0.00 0.04 0.43 0.00 -1.87 0.00 0.00 60.65 59.25 3iwp h LYS 186 Cb 0.60 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 3iwp h LYS 186 CO 0.04 -0.43 0.99 0.00 -0.57 0.00 0.00 179.45 179.47 3iwp h ARG 187 N -0.78 0.07 0.13 3.15 3.08 -1.44 -2.39 114.38 116.21 3iwp h ARG 187 Ca -0.07 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3iwp h ARG 187 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3iwp h ARG 187 CO 0.11 0.05 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.93 3iwp h LEU 188 N 0.08 -0.15 -0.97 3.04 3.38 -1.35 -1.95 115.31 117.39 3iwp h LEU 188 Ca 0.76 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.69 3iwp h LEU 188 Cb 2.70 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 43.31 3iwp h LEU 188 CO -0.19 0.42 -0.28 0.40 0.09 0.00 0.00 178.44 178.88 3iwp h ILE 189 N -1.00 0.02 0.00 1.22 2.04 -1.02 0.80 117.51 119.58 3iwp h ILE 189 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3iwp h ILE 189 Cb 0.36 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3iwp h ILE 189 CO 0.03 0.00 -0.29 1.05 0.00 0.00 0.00 178.15 178.94 3iwp h GLU 190 N -0.00 0.00 0.05 2.37 4.11 -1.57 0.90 114.58 120.44 3iwp h GLU 190 Ca 0.44 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.64 3iwp h GLU 190 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3iwp h GLU 190 CO -1.00 0.29 -1.05 0.37 0.07 0.00 0.00 179.01 177.69 3iwp h GLN 191 N 0.00 0.19 0.01 1.06 4.15 0.07 -3.36 115.11 117.23 3iwp h GLN 191 Ca -0.00 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 3iwp h GLN 191 Cb 0.87 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.66 3iwp h GLN 191 CO 0.04 1.08 -0.00 0.00 -1.93 0.00 0.00 178.83 178.01 3iwp h ALA 192 N 0.81 -0.01 -5.67 3.38 0.00 0.84 -3.49 119.26 115.12 3iwp h ALA 192 Ca -0.07 -0.41 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 3iwp h ALA 192 Cb 1.75 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.71 3iwp h ALA 192 CO 0.16 -0.09 -0.74 1.63 0.00 0.00 0.00 179.25 180.21 3iwp n LYS 193 N -4.70 -6.93 0.00 0.00 5.02 0.28 -2.96 118.16 108.87 3iwp n LYS 193 Ca -0.09 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 3iwp n LYS 193 Cb 0.40 -5.85 0.00 0.00 -0.02 0.00 0.00 35.03 29.55 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 -1.35 2.92 0.35 0.72 0.00 -1.26 -4.85 105.19 101.72 3iwp n GLY 194 Ca -0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 1.60 0.75 -3.86 1.61 3.08 -1.92 -3.40 114.38 112.25 3iwp h ARG 195 Ca 0.00 -0.05 -0.34 0.00 0.07 0.00 0.00 59.98 59.67 3iwp h ARG 195 Cb 0.00 -0.17 -0.33 0.00 0.08 0.00 0.00 29.97 29.55 3iwp h ARG 195 CO 0.00 0.50 -0.75 -1.50 -1.07 0.00 0.00 179.97 177.15 3iwp s ILE 196 N -5.69 0.25 -0.05 2.04 2.07 -1.26 -4.93 121.20 113.63 3iwp s ILE 196 Ca -0.10 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.84 3iwp s ILE 196 Cb 0.19 -0.30 -0.05 0.00 0.13 0.00 0.00 42.46 42.43 3iwp s ILE 196 CO 0.77 0.14 1.60 -0.69 -1.91 0.00 0.00 174.94 174.85 3iwp s VAL 197 N 0.73 3.59 -0.47 4.00 1.01 -0.88 -4.81 120.40 123.57 3iwp s VAL 197 Ca -0.08 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 3iwp s VAL 197 Cb -0.11 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.82 3iwp s VAL 197 CO -0.01 -0.06 0.52 -0.69 0.00 0.00 0.00 175.10 174.87 3iwp s VAL 198 N 3.71 5.01 -0.20 2.92 1.01 -1.26 -1.28 120.40 130.30 3iwp s VAL 198 Ca 0.71 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 3iwp s VAL 198 Cb -0.33 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 3iwp s VAL 198 CO 0.28 -0.64 0.47 -0.04 0.00 0.00 0.00 175.10 175.17 3iwp s MET 199 N 2.28 4.17 0.38 2.72 -1.94 0.53 -4.68 119.30 122.77 3iwp s MET 199 Ca 0.12 0.32 -0.26 0.00 -1.71 0.00 0.00 55.69 54.17 3iwp s MET 199 Cb -0.19 -3.56 -0.09 0.00 2.01 0.00 0.00 34.83 33.00 3iwp s MET 199 CO 0.12 -0.12 1.14 -1.25 -0.01 0.00 0.00 175.02 174.90 3iwp s PRO 200 N 1.55 4.15 0.19 2.03 0.04 -1.25 -0.90 135.00 140.81 3iwp s PRO 200 Ca 0.22 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3iwp s PRO 200 Cb -0.15 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3iwp s PRO 200 CO 0.09 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.32 3iwp n GLY 201 N 0.65 -0.18 3.53 0.56 0.00 0.32 -1.30 105.19 108.77 3iwp n GLY 201 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 2.47 -0.18 3.24 -0.02 0.00 -1.26 -3.77 105.19 105.67 3iwp n GLY 202 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 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 6.24 -1.18 3.83 -0.02 0.00 -1.26 0.14 105.19 112.94 3iwp n GLY 203 Ca 0.53 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.77 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 -3.28 4.36 0.16 -0.61 1.09 -1.25 -4.74 121.20 116.93 3iwp s ILE 204 Ca 0.33 1.16 -0.24 0.00 -1.10 0.00 0.00 60.65 60.81 3iwp s ILE 204 Cb -0.05 -3.64 0.06 0.00 -1.06 0.00 0.00 42.46 37.77 3iwp s ILE 204 CO 0.75 -0.61 0.72 0.28 -0.10 0.00 0.00 174.94 175.98 3iwp s THR 205 N -2.54 0.00 0.11 2.92 -1.32 -1.26 -4.55 115.64 108.99 3iwp s THR 205 Ca 0.60 -0.33 -0.25 0.00 -1.21 0.00 0.00 61.69 60.50 3iwp s THR 205 Cb -0.11 -1.37 -0.08 0.00 -1.51 0.00 0.00 72.50 69.43 3iwp s THR 205 CO 0.31 0.00 1.43 0.44 -2.21 0.00 0.00 174.62 174.59 3iwp h ASP 206 N 2.00 -1.55 -1.00 8.08 3.45 -1.93 -0.58 116.42 124.88 3iwp h ASP 206 Ca -0.27 0.22 0.38 0.00 0.43 0.00 0.00 57.03 57.79 3iwp h ASP 206 Cb 1.27 0.65 -0.18 0.00 -0.56 0.00 0.00 39.33 40.52 3iwp h ASP 206 CO 0.31 -0.27 0.40 0.03 -1.57 0.00 0.00 179.24 178.14 3iwp h ARG 207 N -0.21 0.00 -0.90 3.56 2.47 -1.99 -2.89 114.38 114.42 3iwp h ARG 207 Ca 0.08 -0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.46 3iwp h ARG 207 Cb 0.42 -0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.44 3iwp h ARG 207 CO -0.56 0.00 -0.87 0.09 0.56 0.00 0.00 179.97 179.19 3iwp n ASN 208 N -5.33 -0.21 -0.04 7.04 3.02 -1.12 -4.93 115.26 113.69 3iwp n ASN 208 Ca 0.34 -2.97 -0.14 0.00 -0.03 0.00 0.00 54.58 51.78 3iwp n ASN 208 Cb 1.15 0.27 -0.09 0.00 -0.61 0.00 0.00 39.78 40.50 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 2.80 0.38 -0.69 3.41 6.46 -0.88 -3.33 115.31 123.46 3iwp h LEU 209 Ca -0.07 -0.61 -0.14 0.00 -0.12 0.00 0.00 57.88 56.93 3iwp h LEU 209 Cb 1.12 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 3iwp h LEU 209 CO 0.31 0.93 -0.61 0.06 -0.62 0.00 0.00 178.44 178.50 3iwp h GLN 210 N -0.15 0.15 0.00 1.25 3.07 -1.86 -2.56 115.11 115.01 3iwp h GLN 210 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 3iwp h GLN 210 Cb 0.89 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.47 3iwp h GLN 210 CO 0.06 0.71 -0.07 -0.09 0.09 0.00 0.00 178.83 179.53 3iwp h ARG 211 N 0.11 0.00 0.13 0.06 2.43 -1.94 0.58 114.38 115.75 3iwp h ARG 211 Ca -0.01 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.82 3iwp h ARG 211 Cb 1.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3iwp h ARG 211 CO 0.09 0.07 -1.82 -0.84 -1.51 0.00 0.00 179.97 175.96 3iwp h ILE 212 N 0.00 0.82 0.13 1.20 3.07 -1.62 -2.26 117.51 118.84 3iwp h ILE 212 Ca -0.00 -2.50 -0.01 0.00 1.55 0.00 0.00 64.86 63.90 3iwp h ILE 212 Cb 0.33 2.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3iwp h ILE 212 CO 0.01 0.83 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.81 3iwp h LEU 213 N 0.07 -0.15 -1.41 0.16 3.38 -0.99 0.40 115.31 116.77 3iwp h LEU 213 Ca -0.36 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3iwp h LEU 213 Cb 2.05 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.84 3iwp h LEU 213 CO 0.12 0.19 0.00 -0.33 0.09 0.00 0.00 178.44 178.51 3iwp h GLU 214 N -0.51 0.00 0.11 1.13 5.08 -0.04 0.57 114.58 120.92 3iwp h GLU 214 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3iwp h GLU 214 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3iwp h GLU 214 CO 0.03 0.00 -0.82 0.78 -1.00 0.00 0.00 179.01 178.00 3iwp h GLY 215 N 1.94 0.26 0.39 -3.84 0.00 -1.16 -3.40 103.07 97.26 3iwp h GLY 215 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 47.33 46.30 3iwp h GLY 215 CO 0.00 0.58 -2.17 -1.14 0.00 0.00 0.00 176.54 173.81 3iwp n SER 216 N -4.18 1.90 0.00 0.19 3.41 0.14 -4.82 113.62 110.26 3iwp n SER 216 Ca -0.16 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3iwp n SER 216 Cb 0.78 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 2.05 0.75 3.81 5.00 0.00 0.20 -4.71 105.19 112.27 3iwp n GLY 217 Ca -0.36 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 2.84 -0.22 4.61 0.00 -1.24 -4.99 121.76 120.76 3iwp s ALA 218 Ca 0.00 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3iwp s ALA 218 Cb 0.00 -3.23 -0.20 0.00 0.00 0.00 0.00 23.12 19.70 3iwp s ALA 218 CO 0.00 -0.51 -0.06 2.41 0.00 0.00 0.00 175.76 177.60 3iwp n THR 219 N -1.50 1.54 -5.16 0.00 -1.04 -1.26 -4.94 114.28 101.91 3iwp n THR 219 Ca 0.09 -0.63 -0.32 0.00 -2.04 0.00 0.00 64.05 61.15 3iwp n THR 219 Cb 0.53 -1.36 -0.16 0.00 -1.82 0.00 0.00 70.33 67.52 3iwp n THR 219 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3iwp s GLU 220 N -2.53 2.80 0.07 -2.82 2.02 -1.26 -0.75 118.70 116.23 3iwp s GLU 220 Ca -0.29 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 53.87 3iwp s GLU 220 Cb 0.08 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 3iwp s GLU 220 CO 0.66 0.32 -0.07 -0.59 0.02 0.00 0.00 175.26 175.60 3iwp s PHE 221 N 0.00 0.80 -0.12 1.61 -0.71 -1.11 -3.83 117.98 114.63 3iwp s PHE 221 Ca -0.08 -0.69 0.03 0.00 -1.04 0.00 0.00 56.93 55.15 3iwp s PHE 221 Cb -0.15 -0.47 0.01 0.00 -1.21 0.00 0.00 43.02 41.20 3iwp s PHE 221 CO 0.05 -0.11 -0.21 -1.58 -1.34 0.00 0.00 175.22 172.04 3iwp s HIS 222 N -2.44 2.44 0.21 3.49 2.46 -0.42 -2.30 115.29 118.73 3iwp s HIS 222 Ca 0.01 -1.12 0.03 0.00 0.47 0.00 0.00 55.06 54.44 3iwp s HIS 222 Cb -0.03 -1.67 -0.01 0.00 -0.13 0.00 0.00 32.58 30.74 3iwp s HIS 222 CO -0.02 -0.50 0.11 0.00 -2.47 0.00 0.00 174.74 171.86 3iwp n SER 224 N -2.00 2.75 -3.06 0.00 3.41 -1.26 -3.76 113.62 109.70 3iwp n SER 224 Ca 0.00 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.40 3iwp n SER 224 Cb 0.33 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3iwp n SER 224 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwp n ALA 225 N -2.89 -0.97 -2.18 7.33 0.00 -1.26 -4.77 120.51 115.77 3iwp n ALA 225 Ca -0.15 0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 3iwp n ALA 225 Cb 0.65 -2.55 0.02 0.00 0.00 0.00 0.00 19.45 17.58 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 -5.69 2.86 -0.02 0.00 0.52 -1.26 -0.72 118.95 114.64 3iwp s ARG 226 Ca 0.27 -0.55 -0.14 0.00 -0.52 0.00 0.00 55.73 54.80 3iwp s ARG 226 Cb -0.14 -2.51 0.02 0.00 0.52 0.00 0.00 34.95 32.84 3iwp s ARG 226 CO 0.34 -0.47 0.29 -1.12 0.02 0.00 0.00 175.30 174.36 3iwp s SER 227 N -4.30 -0.17 -0.22 0.23 0.01 -0.22 -4.76 113.70 104.27 3iwp s SER 227 Ca 0.52 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.66 3iwp s SER 227 Cb -0.10 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 3iwp s SER 227 CO 0.39 -0.41 0.61 -0.89 0.41 0.00 0.00 173.24 173.35 3iwp s THR 228 N -1.22 5.02 0.18 1.44 2.01 -1.26 -1.68 115.64 120.13 3iwp s THR 228 Ca -0.13 1.13 0.04 0.00 0.31 0.00 0.00 61.69 63.04 3iwp s THR 228 Cb -0.05 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 3iwp s THR 228 CO 0.04 0.09 0.28 -0.13 -0.69 0.00 0.00 174.62 174.20 3iwp s ARG 229 N 2.09 3.32 -0.12 4.92 1.81 1.00 -4.94 118.95 127.03 3iwp s ARG 229 Ca 0.27 -0.71 -0.11 0.00 -1.72 0.00 0.00 55.73 53.45 3iwp s ARG 229 Cb -0.16 -2.87 -0.05 0.00 -0.45 0.00 0.00 34.95 31.43 3iwp s ARG 229 CO 0.10 0.48 0.25 0.34 -0.68 0.00 0.00 175.30 175.79 3iwp s ASP 230 N -3.45 6.47 0.43 0.23 -1.08 -1.26 -1.61 116.67 116.39 3iwp s ASP 230 Ca 0.34 0.55 -0.24 0.00 -0.52 0.00 0.00 52.55 52.68 3iwp s ASP 230 Cb -0.10 -2.15 -0.10 0.00 -1.46 0.00 0.00 42.92 39.11 3iwp s ASP 230 CO 0.28 0.25 1.00 -0.24 0.52 0.00 0.00 175.17 176.97 3iwp n SER 231 N 2.74 1.20 0.00 -0.34 2.88 -0.85 -4.88 113.62 114.37 3iwp n SER 231 Ca -0.15 1.02 0.11 0.00 -1.33 0.00 0.00 58.87 58.52 3iwp n SER 231 Cb 0.53 -1.35 0.51 0.00 -0.75 0.00 0.00 64.21 63.15 3iwp n SER 231 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iwp n GLY 232 N 1.20 -1.29 3.66 0.46 0.00 -1.26 -4.82 105.19 103.14 3iwp n GLY 232 Ca 0.10 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.96 4.16 0.12 1.61 -1.94 -1.26 -4.90 119.30 114.11 3iwp s MET 233 Ca 0.12 2.47 0.17 0.00 -1.71 0.00 0.00 55.69 56.75 3iwp s MET 233 Cb 0.15 -4.07 -0.08 0.00 2.01 0.00 0.00 34.83 32.84 3iwp s MET 233 CO 0.42 -0.91 0.95 0.87 -0.01 0.00 0.00 175.02 176.34 3iwp h LYS 234 N 10.11 0.00 -5.71 2.03 1.57 -2.03 -3.45 116.57 119.10 3iwp h LYS 234 Ca -0.46 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.66 3iwp h LYS 234 Cb 1.22 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 3iwp h LYS 234 CO 0.94 0.28 -0.49 0.12 -0.57 0.00 0.00 179.45 179.73 3iwp s PHE 235 N -2.99 3.57 0.18 -1.35 2.19 -1.26 -5.12 117.98 113.20 3iwp s PHE 235 Ca -0.01 0.46 -0.03 0.00 0.33 0.00 0.00 56.93 57.68 3iwp s PHE 235 Cb 0.09 -1.90 -0.03 0.00 -1.31 0.00 0.00 43.02 39.86 3iwp s PHE 235 CO 0.80 0.70 0.15 1.03 1.83 0.00 0.00 175.22 179.73 3iwp s ARG 236 N -1.32 1.15 0.17 10.12 0.52 -1.26 -5.16 118.95 123.17 3iwp s ARG 236 Ca 0.19 -1.50 -0.17 0.00 -0.52 0.00 0.00 55.73 53.73 3iwp s ARG 236 Cb -0.12 0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.67 3iwp s ARG 236 CO 0.09 -0.38 0.48 1.21 0.02 0.00 0.00 175.30 176.71 3iwp s ASN 237 N -3.10 -0.26 -0.50 0.23 3.84 -1.26 -5.13 114.94 108.76 3iwp s ASN 237 Ca 0.31 -0.40 -0.09 0.00 0.21 0.00 0.00 52.86 52.89 3iwp s ASN 237 Cb 0.06 0.54 0.13 0.00 -0.55 0.00 0.00 41.25 41.43 3iwp s ASN 237 CO 0.08 -0.97 0.38 -0.55 -2.79 0.00 0.00 177.10 173.25 3iwp s SER 238 N -2.84 5.74 0.00 -4.21 0.15 -1.26 -5.11 113.70 106.17 3iwp s SER 238 Ca 0.07 -2.03 0.00 0.00 0.70 0.00 0.00 55.95 54.69 3iwp s SER 238 Cb 0.00 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 3iwp s SER 238 CO -0.07 -0.67 0.00 -0.24 1.20 0.00 0.00 173.24 173.47 3iwp n SER 239 N 4.76 0.11 0.00 5.45 2.88 -1.26 -5.41 113.62 120.15 3iwp n SER 239 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3iwp n SER 239 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 3iwp n SER 239 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3iwp n TYR 251 N -1.91 0.00 -3.63 0.66 4.02 -1.26 -5.33 117.16 109.72 3iwp n TYR 251 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 3iwp n TYR 251 Cb 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.32 3iwp n TYR 251 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3iwp s SER 252 N 0.00 6.33 -0.03 7.72 1.04 -1.26 -2.00 113.70 125.49 3iwp s SER 252 Ca 0.00 0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.76 3iwp s SER 252 Cb 0.00 -1.98 0.03 0.00 0.10 0.00 0.00 66.02 64.17 3iwp s SER 252 CO 0.00 -0.16 0.03 -0.76 0.98 0.00 0.00 173.24 173.32 3iwp s LEU 253 N -3.95 0.84 -0.42 2.42 1.43 -0.64 -4.88 118.68 113.49 3iwp s LEU 253 Ca 0.38 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.37 3iwp s LEU 253 Cb -0.10 -0.16 0.05 0.00 0.03 0.00 0.00 46.19 46.01 3iwp s LEU 253 CO 0.32 -0.15 0.29 -0.54 0.23 0.00 0.00 176.35 176.50 3iwp s LYS 254 N 1.39 2.84 -0.04 1.70 1.02 -1.26 -0.00 119.74 125.39 3iwp s LYS 254 Ca -0.05 -1.24 0.05 0.00 0.02 0.00 0.00 55.97 54.75 3iwp s LYS 254 Cb -0.13 -3.91 -0.01 0.00 -0.52 0.00 0.00 37.83 33.26 3iwp s LYS 254 CO -0.03 -0.87 -0.20 0.08 -0.92 0.00 0.00 175.35 173.41 3iwp s VAL 255 N 1.57 1.63 0.26 3.17 1.01 -0.68 -4.93 120.40 122.43 3iwp s VAL 255 Ca 0.03 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3iwp s VAL 255 Cb -0.22 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 3iwp s VAL 255 CO 0.06 0.46 1.50 -0.89 0.00 0.00 0.00 175.10 176.23 3iwp s THR 256 N -0.13 2.45 -0.18 3.92 2.01 -1.26 -1.06 115.64 121.39 3iwp s THR 256 Ca -0.01 0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 3iwp s THR 256 Cb -0.11 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3iwp s THR 256 CO 0.02 0.06 0.21 -0.62 -0.69 0.00 0.00 174.62 173.59 3iwp s ASP 257 N 0.44 6.32 0.03 3.53 -1.08 0.10 -4.79 116.67 121.22 3iwp s ASP 257 Ca 0.61 0.36 -0.25 0.00 -0.52 0.00 0.00 52.55 52.75 3iwp s ASP 257 Cb -0.44 -2.13 -0.14 0.00 -1.46 0.00 0.00 42.92 38.75 3iwp s ASP 257 CO 0.44 0.14 1.30 0.58 0.52 0.00 0.00 175.17 178.16 3iwp h VAL 258 N 4.67 0.00 -0.25 1.11 2.07 -1.88 -2.48 116.25 119.49 3iwp h VAL 258 Ca -0.41 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.13 3iwp h VAL 258 Cb 1.16 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3iwp h VAL 258 CO 0.76 0.00 0.19 0.00 0.02 0.00 0.00 177.57 178.53 3iwp h THR 259 N -0.96 0.81 0.00 2.57 1.03 -1.95 0.12 112.91 114.52 3iwp h THR 259 Ca -0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.22 3iwp h THR 259 Cb 0.70 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 3iwp h THR 259 CO 0.15 0.00 -0.40 0.11 -0.01 0.00 0.00 175.52 175.38 3iwp h LYS 260 N 0.00 0.00 0.12 0.00 1.57 -1.90 -1.54 116.57 114.81 3iwp h LYS 260 Ca 0.12 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.61 3iwp h LYS 260 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.82 3iwp h LYS 260 CO -0.00 0.40 -1.23 0.28 -0.57 0.00 0.00 179.45 178.33 3iwp h VAL 261 N 0.00 1.34 -0.29 0.50 2.07 -0.32 -2.89 116.25 116.66 3iwp h VAL 261 Ca -0.00 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 3iwp h VAL 261 Cb 1.06 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 3iwp h VAL 261 CO 0.05 0.78 0.11 0.03 0.02 0.00 0.00 177.57 178.56 3iwp h ARG 262 N 0.22 0.43 0.00 1.57 3.08 -1.31 -0.35 114.38 118.02 3iwp h ARG 262 Ca -0.17 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3iwp h ARG 262 Cb 1.90 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.89 3iwp h ARG 262 CO 0.23 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 3iwp h THR 263 N 0.31 0.00 0.00 2.04 1.03 -1.36 0.24 112.91 115.17 3iwp h THR 263 Ca 0.09 -0.30 -0.09 0.00 -0.01 0.00 0.00 66.41 66.11 3iwp h THR 263 Cb 0.20 1.13 -0.01 0.00 -1.07 0.00 0.00 68.15 68.39 3iwp h THR 263 CO -0.01 0.00 -0.55 -0.07 -0.01 0.00 0.00 175.52 174.89 3iwp h LEU 264 N 0.00 0.00 -0.95 0.00 3.38 -1.28 -3.32 115.31 113.14 3iwp h LEU 264 Ca 0.00 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 3iwp h LEU 264 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3iwp h LEU 264 CO 0.00 1.13 0.55 -1.13 0.09 0.00 0.00 178.44 179.08 3iwp h ASN 265 N -1.00 1.14 -0.14 -0.43 -0.00 -0.81 -1.28 115.58 113.06 3iwp h ASN 265 Ca -0.14 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.08 3iwp h ASN 265 Cb 0.98 -0.29 -0.01 0.00 -0.00 0.00 0.00 38.32 39.01 3iwp h ASN 265 CO -0.08 0.88 0.08 0.00 -0.00 0.00 0.00 177.43 178.31 3iwp h ALA 266 N 1.31 0.18 0.00 1.57 0.00 -1.16 0.13 119.26 121.30 3iwp h ALA 266 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3iwp h ALA 266 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iwp h ALA 266 CO -0.06 -0.29 0.00 0.44 0.00 0.00 0.00 179.25 179.34 3iwp n ILE 267 N -4.95 0.17 0.07 0.00 -5.35 -1.13 -1.70 119.36 106.49 3iwp n ILE 267 Ca -0.05 0.04 0.07 0.00 -0.27 0.00 0.00 62.75 62.54 3iwp n ILE 267 Cb 0.06 -0.60 -0.04 0.00 -1.74 0.00 0.00 39.64 37.32 3iwp n ILE 267 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iwp n ALA 268 N -1.37 2.28 0.12 -1.28 0.00 -0.50 -4.58 120.51 115.18 3iwp n ALA 268 Ca 0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 3iwp n ALA 268 Cb 0.25 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3iwp n ALA 268 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3iwp h LYS 269 N 0.00 -0.33 -2.97 0.00 3.64 0.14 -3.39 116.57 113.66 3iwp h LYS 269 Ca -0.07 0.02 -0.79 0.00 -1.27 0.00 0.00 60.65 58.55 3iwp h LYS 269 Cb 1.25 0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.92 3iwp h LYS 269 CO 0.02 -0.22 1.41 0.27 -2.27 0.00 0.00 179.45 178.66 3iwp n ASN 270 N -3.72 6.33 0.00 4.20 6.94 -1.19 -3.32 115.26 124.50 3iwp n ASN 270 Ca -0.04 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.19 3iwp n ASN 270 Cb 0.13 -1.33 0.00 0.00 -2.36 0.00 0.00 39.78 36.22 3iwp n ASN 270 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53