#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 1.75 3.63 7.41 0.00 -1.26 -4.98 105.19 111.74 3iwp n GLY 25 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.96 2.71 -0.20 1.61 0.40 -1.26 -4.86 117.98 113.41 3iwp s PHE 26 Ca 0.00 0.88 -0.12 0.00 -0.60 0.00 0.00 56.93 57.09 3iwp s PHE 26 Cb 0.00 -3.92 -0.05 0.00 0.51 0.00 0.00 43.02 39.57 3iwp s PHE 26 CO 0.00 -1.65 0.23 -0.51 0.70 0.00 0.00 175.22 173.99 3iwp s LEU 27 N 4.36 4.19 -0.26 -0.37 1.43 0.57 -5.01 118.68 123.59 3iwp s LEU 27 Ca 0.55 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.91 3iwp s LEU 27 Cb -0.16 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 3iwp s LEU 27 CO 0.23 0.09 0.07 -0.32 0.23 0.00 0.00 176.35 176.65 3iwp s MET 28 N 0.71 3.54 -0.02 1.70 -2.45 -1.26 -1.24 119.30 120.27 3iwp s MET 28 Ca 0.12 -0.55 -0.01 0.00 -1.25 0.00 0.00 55.69 54.00 3iwp s MET 28 Cb -0.13 -3.32 -0.04 0.00 1.25 0.00 0.00 34.83 32.59 3iwp s MET 28 CO 0.03 -0.24 0.06 -2.00 1.05 0.00 0.00 175.02 173.92 3iwp s GLU 29 N 1.59 3.02 -0.05 4.11 2.12 0.23 -2.39 118.70 127.34 3iwp s GLU 29 Ca 0.06 -0.47 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 3iwp s GLU 29 Cb -0.15 -2.83 0.03 0.00 0.26 0.00 0.00 34.13 31.44 3iwp s GLU 29 CO 0.03 0.66 0.11 0.54 -0.54 0.00 0.00 175.26 176.06 3iwp s VAL 30 N -1.11 -0.05 0.20 3.70 0.11 -0.96 -1.23 120.40 121.06 3iwp s VAL 30 Ca 0.20 0.18 -0.31 0.00 -2.93 0.00 0.00 61.98 59.12 3iwp s VAL 30 Cb -0.12 -0.19 -0.10 0.00 -1.53 0.00 0.00 36.38 34.45 3iwp s VAL 30 CO 0.11 0.07 1.48 0.00 -3.33 0.00 0.00 175.10 173.43 3iwp s VAL 32 N 0.55 1.48 -0.09 0.00 -7.23 0.11 -4.88 120.40 110.34 3iwp s VAL 32 Ca 0.64 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 3iwp s VAL 32 Cb -0.42 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 3iwp s VAL 32 CO 0.37 -0.30 -0.02 -0.67 -0.31 0.00 0.00 175.10 174.17 3iwp n ASP 33 N 0.68 3.06 -3.08 4.85 -0.08 -1.26 -0.87 116.55 119.85 3iwp n ASP 33 Ca -0.16 -0.02 -0.16 0.00 -1.51 0.00 0.00 54.79 52.93 3iwp n ASP 33 Cb 0.56 0.36 -0.04 0.00 2.34 0.00 0.00 41.12 44.34 3iwp n ASP 33 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3iwp n SER 34 N -2.50 -1.26 -0.03 1.67 3.41 -1.26 -4.88 113.62 108.76 3iwp n SER 34 Ca -0.15 -2.99 -0.15 0.00 -0.26 0.00 0.00 58.87 55.32 3iwp n SER 34 Cb 0.74 2.43 -0.10 0.00 -0.26 0.00 0.00 64.21 67.01 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 2.05 1.48 -1.01 -3.33 2.07 -1.97 -1.73 116.25 113.80 3iwp h VAL 35 Ca -0.27 -1.80 0.23 0.00 0.82 0.00 0.00 66.70 65.68 3iwp h VAL 35 Cb 1.21 2.52 -0.11 0.00 -1.52 0.00 0.00 31.29 33.39 3iwp h VAL 35 CO 0.37 0.50 0.61 -0.08 0.02 0.00 0.00 177.57 179.00 3iwp h GLU 36 N -0.33 0.60 -0.20 1.57 4.81 -1.99 0.03 114.58 119.07 3iwp h GLU 36 Ca -0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 3iwp h GLU 36 Cb 0.97 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 3iwp h GLU 36 CO 0.06 0.40 -0.17 1.03 -0.73 0.00 0.00 179.01 179.60 3iwp h SER 37 N 0.62 0.49 0.08 1.04 0.87 -1.86 -2.14 113.55 112.65 3iwp h SER 37 Ca 0.60 -0.46 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 3iwp h SER 37 Cb 1.14 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3iwp h SER 37 CO -0.40 0.85 -0.52 0.00 -0.53 0.00 0.00 176.83 176.23 3iwp h ALA 38 N 0.66 0.77 0.19 6.23 0.00 -0.35 -1.04 119.26 125.72 3iwp h ALA 38 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3iwp h ALA 38 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iwp h ALA 38 CO 0.04 0.68 -0.09 0.28 0.00 0.00 0.00 179.25 180.16 3iwp h VAL 39 N 0.38 0.90 -0.67 0.00 2.07 -1.09 -2.26 116.25 115.58 3iwp h VAL 39 Ca 0.01 -0.45 0.16 0.00 0.82 0.00 0.00 66.70 67.24 3iwp h VAL 39 Cb 1.05 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 3iwp h VAL 39 CO 0.10 0.10 0.46 0.78 0.02 0.00 0.00 177.57 179.03 3iwp h ASN 40 N -0.48 0.21 -0.51 0.57 2.35 -1.24 0.13 115.58 116.62 3iwp h ASN 40 Ca -0.03 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3iwp h ASN 40 Cb 0.36 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3iwp h ASN 40 CO 0.04 0.11 -0.10 0.00 -1.65 0.00 0.00 177.43 175.83 3iwp h ALA 41 N 1.68 0.70 0.34 -0.83 0.00 -0.91 -2.50 119.26 117.74 3iwp h ALA 41 Ca 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3iwp h ALA 41 Cb 0.96 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3iwp h ALA 41 CO -0.07 0.60 -0.16 0.93 0.00 0.00 0.00 179.25 180.55 3iwp h GLU 42 N 0.83 -0.44 -1.02 0.00 5.08 -0.41 -1.09 114.58 117.52 3iwp h GLU 42 Ca 0.13 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.82 3iwp h GLU 42 Cb 0.66 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3iwp h GLU 42 CO 0.05 -0.29 0.91 0.00 -1.00 0.00 0.00 179.01 178.67 3iwp h ARG 43 N -0.54 0.00 0.00 2.33 3.08 -1.42 0.25 114.38 118.09 3iwp h ARG 43 Ca -0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3iwp h ARG 43 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3iwp h ARG 43 CO 0.08 0.00 -0.26 0.78 -1.07 0.00 0.00 179.97 179.50 3iwp h GLY 44 N 0.00 0.00 0.00 0.04 0.00 -1.37 -3.48 103.07 98.26 3iwp h GLY 44 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3iwp h GLY 44 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14 3iwp n GLY 45 N 1.15 0.95 3.73 4.60 0.00 0.88 -2.56 105.19 113.95 3iwp n GLY 45 Ca 0.03 0.00 -0.42 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 n ALA 46 N -0.26 1.99 0.02 4.61 0.00 -0.43 -4.92 120.51 121.52 3iwp n ALA 46 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.63 3iwp n ALA 46 Cb 0.00 -2.38 -0.14 0.00 0.00 0.00 0.00 19.45 16.93 3iwp n ALA 46 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3iwp h ASP 47 N 3.77 0.33 -3.74 0.00 5.19 -1.79 -3.43 116.42 116.76 3iwp h ASP 47 Ca -0.47 -0.64 -0.17 0.00 -0.62 0.00 0.00 57.03 55.13 3iwp h ASP 47 Cb 1.25 -0.11 -0.26 0.00 0.18 0.00 0.00 39.33 40.39 3iwp h ASP 47 CO 0.71 1.56 -0.44 -0.60 -3.12 0.00 0.00 179.24 177.36 3iwp s ARG 48 N -2.58 0.28 -0.06 3.56 3.52 -1.06 -4.17 118.95 118.44 3iwp s ARG 48 Ca -0.15 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 3iwp s ARG 48 Cb 0.07 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 3iwp s ARG 48 CO 0.81 -0.06 -0.10 0.96 -0.81 0.00 0.00 175.30 176.10 3iwp s ILE 49 N 0.33 3.39 -0.23 4.11 -4.36 -0.82 -2.27 121.20 121.35 3iwp s ILE 49 Ca -0.02 -0.61 -0.12 0.00 -0.26 0.00 0.00 60.65 59.65 3iwp s ILE 49 Cb -0.03 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.27 3iwp s ILE 49 CO -0.01 0.59 0.21 -0.70 0.24 0.00 0.00 174.94 175.26 3iwp s GLU 50 N -0.80 4.09 -0.37 0.37 2.12 0.36 -0.72 118.70 123.75 3iwp s GLU 50 Ca 0.12 -0.18 -0.22 0.00 0.36 0.00 0.00 54.97 55.06 3iwp s GLU 50 Cb -0.11 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3iwp s GLU 50 CO 0.01 0.04 0.72 -1.17 -0.54 0.00 0.00 175.26 174.32 3iwp s LEU 51 N 1.12 4.20 -0.09 2.70 0.20 0.58 0.06 118.68 127.46 3iwp s LEU 51 Ca 0.10 0.21 0.02 0.00 0.69 0.00 0.00 54.13 55.15 3iwp s LEU 51 Cb -0.14 -2.91 0.01 0.00 -0.43 0.00 0.00 46.19 42.72 3iwp s LEU 51 CO 0.05 -0.69 -0.13 0.00 -0.29 0.00 0.00 176.35 175.29 3iwp s SER 53 N 0.85 5.56 -1.49 0.00 0.15 0.53 -4.08 113.70 115.22 3iwp s SER 53 Ca -0.10 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 3iwp s SER 53 Cb -0.15 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 3iwp s SER 53 CO 0.01 -0.92 0.17 0.61 1.20 0.00 0.00 173.24 174.31 3iwp n GLY 54 N -2.22 -0.18 0.44 9.45 0.00 -1.26 -0.07 105.19 111.35 3iwp n GLY 54 Ca 0.05 0.17 0.26 0.00 0.00 0.00 0.00 46.02 46.50 3iwp n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iwp h LEU 55 N -1.82 0.00 -1.27 0.99 3.38 -1.92 -1.61 115.31 113.05 3iwp h LEU 55 Ca -0.65 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.51 3iwp h LEU 55 Cb 1.39 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.06 3iwp h LEU 55 CO 0.67 0.00 0.61 0.77 0.09 0.00 0.00 178.44 180.58 3iwp h SER 56 N 0.00 0.60 -0.74 -0.43 4.64 -1.99 -1.55 113.55 114.08 3iwp h SER 56 Ca 0.36 0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 61.46 3iwp h SER 56 Cb 1.49 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.37 3iwp h SER 56 CO -0.00 0.24 0.32 -0.62 -0.87 0.00 0.00 176.83 175.89 3iwp n GLU 57 N -4.62 3.08 -0.12 4.77 1.02 -0.62 -4.89 120.64 119.25 3iwp n GLU 57 Ca 0.21 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 3iwp n GLU 57 Cb 0.62 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3iwp n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwp n GLY 58 N -0.55 1.76 0.00 0.62 0.00 -0.58 -4.64 105.19 101.79 3iwp n GLY 58 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3iwp n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 59 N -2.00 2.50 3.53 -0.02 0.00 -1.11 -4.94 105.19 103.16 3iwp n GLY 59 Ca 0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 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 0.88 -0.15 2.61 -4.23 0.89 -4.83 115.64 110.80 3iwp s THR 60 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 3iwp s THR 60 Cb 0.00 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 3iwp s THR 60 CO 0.00 0.00 1.95 -0.89 -0.54 0.00 0.00 174.62 175.14 3iwp s THR 61 N -3.18 3.24 0.82 3.99 2.01 -0.55 -0.35 115.64 121.62 3iwp s THR 61 Ca 0.25 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 3iwp s THR 61 Cb 0.04 -3.25 0.08 0.00 0.01 0.00 0.00 72.50 69.39 3iwp s THR 61 CO 0.13 -0.11 1.10 -2.16 -0.69 0.00 0.00 174.62 172.90 3iwp s PRO 62 N 5.31 1.92 0.36 4.92 0.04 -1.26 -4.72 135.00 141.56 3iwp s PRO 62 Ca 0.88 0.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 3iwp s PRO 62 Cb -0.33 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3iwp s PRO 62 CO 0.35 -1.72 1.01 -1.54 0.04 0.00 0.00 177.00 175.14 3iwp s SER 63 N -3.92 7.01 0.38 6.66 1.04 -1.26 -4.96 113.70 118.64 3iwp s SER 63 Ca 0.61 1.97 0.06 0.00 0.48 0.00 0.00 55.95 59.07 3iwp s SER 63 Cb -0.14 -2.58 0.75 0.00 0.10 0.00 0.00 66.02 64.14 3iwp s SER 63 CO 0.54 -0.31 1.99 0.24 0.98 0.00 0.00 173.24 176.68 3iwp h MET 64 N 2.81 0.56 -0.99 4.02 2.86 -1.98 -1.59 114.93 120.62 3iwp h MET 64 Ca -0.48 -0.06 0.18 0.00 -2.06 0.00 0.00 59.70 57.28 3iwp h MET 64 Cb 1.20 -0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.66 3iwp h MET 64 CO 0.64 0.45 0.61 0.78 1.06 0.00 0.00 176.91 180.44 3iwp h GLY 65 N 0.68 1.61 0.70 8.32 0.00 -2.00 -0.82 103.07 111.57 3iwp h GLY 65 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3iwp h GLY 65 CO -0.02 -0.01 -0.12 -2.08 0.00 0.00 0.00 176.54 174.31 3iwp h VAL 66 N 0.75 0.81 -0.58 4.60 2.07 -1.68 -2.47 116.25 119.75 3iwp h VAL 66 Ca 0.55 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.56 3iwp h VAL 66 Cb 0.87 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.67 3iwp h VAL 66 CO -0.33 0.12 -0.54 0.25 0.02 0.00 0.00 177.57 177.09 3iwp h LEU 67 N -0.64 -1.87 0.23 2.57 6.46 -1.26 0.19 115.31 120.98 3iwp h LEU 67 Ca -0.03 0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 3iwp h LEU 67 Cb 0.45 0.80 -0.03 0.00 -0.73 0.00 0.00 40.66 41.15 3iwp h LEU 67 CO 0.06 -0.35 -0.46 1.56 -0.62 0.00 0.00 178.44 178.63 3iwp h GLN 68 N -0.28 -0.71 -0.72 1.25 4.20 -1.18 1.11 115.11 118.78 3iwp h GLN 68 Ca 0.11 0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.94 3iwp h GLN 68 Cb 0.55 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.43 3iwp h GLN 68 CO -0.69 -0.48 0.40 0.28 -0.67 0.00 0.00 178.83 177.68 3iwp h VAL 69 N -0.74 0.95 0.15 -0.54 2.07 -1.22 -1.45 116.25 115.47 3iwp h VAL 69 Ca -0.02 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3iwp h VAL 69 Cb 0.70 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3iwp h VAL 69 CO -0.18 0.13 -0.09 0.58 0.02 0.00 0.00 177.57 178.03 3iwp h VAL 70 N 0.73 0.81 -0.06 2.57 2.07 0.04 -2.68 116.25 119.72 3iwp h VAL 70 Ca 0.33 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.87 3iwp h VAL 70 Cb 0.23 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3iwp h VAL 70 CO -0.20 0.00 0.06 0.50 0.02 0.00 0.00 177.57 177.95 3iwp h LYS 71 N -0.23 0.00 0.00 1.57 3.11 0.20 0.25 116.57 121.47 3iwp h LYS 71 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3iwp h LYS 71 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 3iwp h LYS 71 CO 0.01 0.00 -0.38 1.04 -2.81 0.00 0.00 179.45 177.31 3iwp n GLN 72 N -4.11 0.28 0.00 1.90 6.02 -0.62 -4.13 117.38 116.73 3iwp n GLN 72 Ca -0.01 0.14 0.03 0.00 -0.01 0.00 0.00 57.00 57.15 3iwp n GLN 72 Cb 0.16 -1.73 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 3iwp n GLN 72 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3iwp n SER 73 N -2.17 0.45 -4.18 1.08 3.41 0.72 -5.00 113.62 107.92 3iwp n SER 73 Ca 0.04 -0.72 -0.17 0.00 -0.26 0.00 0.00 58.87 57.76 3iwp n SER 73 Cb 0.44 0.92 -0.11 0.00 -0.26 0.00 0.00 64.21 65.19 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 -1.59 1.06 -0.18 -3.33 1.01 -0.21 -4.89 120.40 112.27 3iwp s VAL 74 Ca 0.03 -1.49 0.13 0.00 0.00 0.00 0.00 61.98 60.65 3iwp s VAL 74 Cb 0.06 -1.23 -0.20 0.00 0.00 0.00 0.00 36.38 35.01 3iwp s VAL 74 CO 0.28 -0.39 0.01 0.00 0.00 0.00 0.00 175.10 175.00 3iwp n GLN 75 N 0.90 1.09 -1.89 2.72 6.02 -1.26 -4.75 117.38 120.20 3iwp n GLN 75 Ca -0.18 0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.44 3iwp n GLN 75 Cb 0.56 -1.44 0.03 0.00 1.02 0.00 0.00 30.24 30.41 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 -2.42 2.31 0.40 5.09 -4.36 -1.26 -4.95 121.20 116.00 3iwp s ILE 76 Ca -0.12 0.24 -0.24 0.00 -0.26 0.00 0.00 60.65 60.26 3iwp s ILE 76 Cb 0.06 -3.13 -0.12 0.00 1.25 0.00 0.00 42.46 40.52 3iwp s ILE 76 CO 0.66 0.00 0.90 -0.81 0.24 0.00 0.00 174.94 175.93 3iwp n PRO 77 N -0.75 1.15 -4.05 0.37 -0.04 -1.26 -4.81 135.00 125.61 3iwp n PRO 77 Ca 0.09 0.41 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 3iwp n PRO 77 Cb 0.45 -1.87 -0.15 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.28 2.07 -0.05 0.52 1.01 -1.26 -1.94 120.40 119.47 3iwp s VAL 78 Ca 0.63 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 3iwp s VAL 78 Cb -0.60 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3iwp s VAL 78 CO 0.57 -0.05 0.28 -0.36 0.00 0.00 0.00 175.10 175.54 3iwp s PHE 79 N 1.15 3.65 -0.14 5.22 0.40 0.10 -1.75 117.98 126.61 3iwp s PHE 79 Ca -0.08 0.75 -0.03 0.00 -0.60 0.00 0.00 56.93 56.97 3iwp s PHE 79 Cb -0.20 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 3iwp s PHE 79 CO -0.05 0.68 -0.06 0.08 0.70 0.00 0.00 175.22 176.56 3iwp s VAL 80 N -1.09 3.67 0.01 -0.44 1.01 0.56 0.22 120.40 124.32 3iwp s VAL 80 Ca 0.21 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3iwp s VAL 80 Cb -0.14 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3iwp s VAL 80 CO 0.10 0.51 1.22 -0.32 0.00 0.00 0.00 175.10 176.61 3iwp s MET 81 N 0.31 4.38 -0.40 2.72 1.75 -0.62 0.01 119.30 127.45 3iwp s MET 81 Ca -0.05 1.75 0.00 0.00 -1.25 0.00 0.00 55.69 56.14 3iwp s MET 81 Cb -0.15 -3.46 0.11 0.00 2.84 0.00 0.00 34.83 34.17 3iwp s MET 81 CO 0.04 -0.37 0.15 0.42 -0.65 0.00 0.00 175.02 174.61 3iwp s ILE 82 N 1.69 2.86 -0.28 10.11 1.09 0.15 -3.86 121.20 132.96 3iwp s ILE 82 Ca 0.58 -2.28 -0.04 0.00 -1.10 0.00 0.00 60.65 57.81 3iwp s ILE 82 Cb -0.28 -3.01 0.15 0.00 -1.06 0.00 0.00 42.46 38.27 3iwp s ILE 82 CO 0.26 -0.67 0.55 -0.60 -0.10 0.00 0.00 174.94 174.38 3iwp s ARG 83 N 0.92 0.50 0.00 2.79 3.52 -1.26 -4.49 118.95 120.92 3iwp s ARG 83 Ca 0.10 1.04 0.30 0.00 -0.13 0.00 0.00 55.73 57.04 3iwp s ARG 83 Cb -0.21 0.42 1.40 0.00 -1.56 0.00 0.00 34.95 35.00 3iwp s ARG 83 CO -0.06 -0.47 1.97 -0.35 -0.81 0.00 0.00 175.30 175.59 3iwp n PRO 84 N 5.42 0.60 -3.86 5.12 -0.04 -1.26 -1.48 135.00 139.50 3iwp n PRO 84 Ca -0.05 -0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.24 3iwp n PRO 84 Cb 0.50 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 3iwp n PRO 84 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3iwp s ARG 85 N -2.48 1.60 0.27 0.54 1.70 -1.26 -4.96 118.95 114.36 3iwp s ARG 85 Ca 0.30 -1.03 0.01 0.00 -0.47 0.00 0.00 55.73 54.54 3iwp s ARG 85 Cb 0.20 0.45 0.05 0.00 -0.57 0.00 0.00 34.95 35.08 3iwp s ARG 85 CO 0.46 -0.75 0.37 0.41 -1.08 0.00 0.00 175.30 174.72 3iwp n GLY 86 N -0.65 1.04 7.00 3.88 0.00 -1.26 -4.85 105.19 110.35 3iwp n GLY 86 Ca -0.05 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 2.06 0.13 3.59 -0.02 0.00 -1.26 -4.95 105.19 104.73 3iwp n GLY 87 Ca 0.06 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 3iwp n GLY 87 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iwp s ASP 88 N -4.00 1.75 -0.28 1.61 -4.77 -1.26 -4.99 116.67 104.74 3iwp s ASP 88 Ca 0.00 1.28 0.10 0.00 -3.30 0.00 0.00 52.55 50.63 3iwp s ASP 88 Cb 0.00 -1.99 0.51 0.00 -1.09 0.00 0.00 42.92 40.35 3iwp s ASP 88 CO 0.00 -3.69 1.47 0.49 0.70 0.00 0.00 175.17 174.14 3iwp n PHE 89 N -4.55 1.10 -2.99 2.11 3.01 -1.26 -4.89 117.46 109.99 3iwp n PHE 89 Ca 0.04 -1.50 -0.44 0.00 1.01 0.00 0.00 57.45 56.56 3iwp n PHE 89 Cb 0.56 -0.47 -0.04 0.00 -0.01 0.00 0.00 39.48 39.52 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 -3.18 4.99 -0.23 4.37 0.20 -1.26 -1.47 118.68 122.09 3iwp s LEU 90 Ca 0.44 -1.40 -0.13 0.00 0.69 0.00 0.00 54.13 53.74 3iwp s LEU 90 Cb 0.40 -2.36 -0.05 0.00 -0.43 0.00 0.00 46.19 43.75 3iwp s LEU 90 CO 0.01 -1.22 0.26 -0.31 -0.29 0.00 0.00 176.35 174.81 3iwp s TYR 91 N 3.14 3.32 0.93 5.38 4.12 -1.26 -5.08 117.35 127.90 3iwp s TYR 91 Ca 0.19 0.36 -0.12 0.00 0.02 0.00 0.00 57.07 57.53 3iwp s TYR 91 Cb -0.18 -2.39 0.15 0.00 -1.52 0.00 0.00 41.96 38.02 3iwp s TYR 91 CO 0.05 -0.00 1.10 -1.12 0.02 0.00 0.00 175.55 175.59 3iwp s SER 92 N 1.16 3.25 0.38 2.29 0.01 -1.26 -4.72 113.70 114.80 3iwp s SER 92 Ca 0.12 1.31 0.08 0.00 1.31 0.00 0.00 55.95 58.77 3iwp s SER 92 Cb -0.14 -1.98 0.76 0.00 0.21 0.00 0.00 66.02 64.86 3iwp s SER 92 CO 0.07 -2.76 1.93 0.44 0.41 0.00 0.00 173.24 173.33 3iwp h ASP 93 N -1.63 0.33 0.24 2.44 3.32 -1.98 0.23 116.42 119.37 3iwp h ASP 93 Ca -0.51 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 3iwp h ASP 93 Cb 1.30 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3iwp h ASP 93 CO 0.57 0.42 -0.12 0.03 -1.72 0.00 0.00 179.24 178.42 3iwp h ARG 94 N 0.35 -0.32 -0.53 3.56 3.08 -2.00 -0.90 114.38 117.63 3iwp h ARG 94 Ca 0.08 0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 3iwp h ARG 94 Cb 0.29 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3iwp h ARG 94 CO 0.01 -0.17 -0.09 0.93 -1.07 0.00 0.00 179.97 179.58 3iwp h GLU 95 N -0.38 0.97 -0.48 0.04 5.08 -1.68 -2.64 114.58 115.49 3iwp h GLU 95 Ca -0.03 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3iwp h GLU 95 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3iwp h GLU 95 CO 0.05 1.01 0.28 0.82 -1.00 0.00 0.00 179.01 180.17 3iwp h ILE 96 N 0.87 1.15 -0.98 3.13 2.04 -0.56 -0.72 117.51 122.44 3iwp h ILE 96 Ca 0.14 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 65.78 3iwp h ILE 96 Cb 0.63 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 3iwp h ILE 96 CO 0.04 0.16 0.60 -0.33 0.00 0.00 0.00 178.15 178.62 3iwp h GLU 97 N 0.63 0.87 -0.13 2.37 5.08 -0.92 -0.70 114.58 121.78 3iwp h GLU 97 Ca 0.17 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3iwp h GLU 97 Cb 0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3iwp h GLU 97 CO -0.03 0.57 0.06 0.28 -1.00 0.00 0.00 179.01 178.90 3iwp h VAL 98 N 0.89 1.12 -0.33 3.13 2.07 -1.04 -2.70 116.25 119.40 3iwp h VAL 98 Ca 0.51 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.73 3iwp h VAL 98 Cb 0.61 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3iwp h VAL 98 CO -0.30 0.11 0.07 0.24 0.02 0.00 0.00 177.57 177.70 3iwp h MET 99 N 0.09 0.18 -0.83 1.57 2.86 0.05 0.21 114.93 119.06 3iwp h MET 99 Ca 0.05 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3iwp h MET 99 Cb 0.12 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 3iwp h MET 99 CO -0.01 0.12 0.51 0.87 1.06 0.00 0.00 176.91 179.47 3iwp h LYS 100 N 0.18 0.93 -0.37 1.72 1.57 -1.18 0.27 116.57 119.69 3iwp h LYS 100 Ca 0.15 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 3iwp h LYS 100 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3iwp h LYS 100 CO -0.20 0.62 -0.28 0.00 -0.57 0.00 0.00 179.45 179.02 3iwp h ALA 101 N 1.38 0.81 -0.33 3.86 0.00 -1.11 -1.91 119.26 121.96 3iwp h ALA 101 Ca 0.35 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3iwp h ALA 101 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iwp h ALA 101 CO -0.15 0.65 -0.37 -0.44 0.00 0.00 0.00 179.25 178.93 3iwp h ASP 102 N 0.67 0.80 0.39 0.00 3.32 -0.12 -0.02 116.42 121.46 3iwp h ASP 102 Ca 0.08 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3iwp h ASP 102 Cb 0.81 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3iwp h ASP 102 CO 0.07 1.09 -0.32 0.40 -1.72 0.00 0.00 179.24 178.76 3iwp h ILE 103 N 0.63 0.34 0.04 0.35 2.04 -0.44 0.11 117.51 120.58 3iwp h ILE 103 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3iwp h ILE 103 Cb 0.92 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3iwp h ILE 103 CO 0.08 0.00 -0.28 0.03 0.00 0.00 0.00 178.15 177.99 3iwp h ARG 104 N -0.71 -0.43 -0.66 2.37 3.08 -1.20 -0.44 114.38 116.39 3iwp h ARG 104 Ca -0.03 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3iwp h ARG 104 Cb 0.62 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 3iwp h ARG 104 CO -0.02 -0.29 0.35 -0.07 -1.07 0.00 0.00 179.97 178.88 3iwp h LEU 105 N -0.45 0.84 -1.16 3.04 3.38 -0.98 -1.45 115.31 118.54 3iwp h LEU 105 Ca 0.05 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3iwp h LEU 105 Cb 0.51 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3iwp h LEU 105 CO -0.21 0.71 0.58 0.00 0.09 0.00 0.00 178.44 179.60 3iwp h ALA 106 N 1.17 1.47 0.16 1.53 0.00 -0.24 -2.07 119.26 121.28 3iwp h ALA 106 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3iwp h ALA 106 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3iwp h ALA 106 CO -0.03 0.44 -0.08 0.87 0.00 0.00 0.00 179.25 180.44 3iwp h LYS 107 N 1.07 -0.21 -0.12 0.00 1.57 -0.36 -2.55 116.57 115.96 3iwp h LYS 107 Ca 0.35 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 3iwp h LYS 107 Cb 0.06 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3iwp h LYS 107 CO -0.11 -0.02 0.23 -0.07 -0.57 0.00 0.00 179.45 178.90 3iwp h LEU 108 N -0.37 0.00 -1.63 2.94 3.38 -0.63 -2.54 115.31 116.47 3iwp h LEU 108 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iwp h LEU 108 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iwp h LEU 108 CO 0.04 0.00 -0.08 -1.22 0.09 0.00 0.00 178.44 177.26 3iwp n TYR 109 N -3.42 0.00 0.00 1.13 4.02 -0.89 -4.96 117.16 113.05 3iwp n TYR 109 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3iwp n TYR 109 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 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 1.20 1.90 3.69 2.72 0.00 -0.95 -4.56 105.19 109.19 3iwp n GLY 110 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.60 -1.30 4.61 0.00 -0.97 -4.84 121.76 120.86 3iwp s ALA 111 Ca 0.00 0.98 0.28 0.00 0.00 0.00 0.00 51.96 53.22 3iwp s ALA 111 Cb 0.00 -3.60 1.14 0.00 0.00 0.00 0.00 23.12 20.66 3iwp s ALA 111 CO 0.00 -0.89 1.83 -0.25 0.00 0.00 0.00 175.76 176.45 3iwp n ASP 112 N 5.14 0.27 0.00 0.00 8.00 -0.72 -4.82 116.55 124.42 3iwp n ASP 112 Ca 0.13 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3iwp n ASP 112 Cb 0.43 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3iwp n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iwp n GLY 113 N 1.39 0.41 3.12 0.44 0.00 -1.21 -4.51 105.19 104.83 3iwp n GLY 113 Ca 0.10 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3iwp n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwp s LEU 114 N 0.00 2.37 -0.04 0.99 1.43 -0.92 -0.33 118.68 122.18 3iwp s LEU 114 Ca 0.00 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3iwp s LEU 114 Cb 0.00 -0.16 0.02 0.00 0.03 0.00 0.00 46.19 46.08 3iwp s LEU 114 CO 0.00 -0.30 -0.04 -0.69 0.23 0.00 0.00 176.35 175.55 3iwp s VAL 115 N -2.30 0.49 0.39 -1.59 1.01 0.10 -2.17 120.40 116.34 3iwp s VAL 115 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3iwp s VAL 115 Cb -0.04 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.88 3iwp s VAL 115 CO -0.01 0.21 0.74 2.22 0.00 0.00 0.00 175.10 178.25 3iwp n PHE 116 N 3.92 -2.20 -3.58 5.22 1.16 -0.85 0.30 117.46 121.44 3iwp n PHE 116 Ca -0.25 -1.99 -0.13 0.00 -1.87 0.00 0.00 57.45 53.21 3iwp n PHE 116 Cb 0.51 0.86 -0.06 0.00 -1.61 0.00 0.00 39.48 39.19 3iwp n PHE 116 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3iwp s GLY 117 N -3.12 -0.38 -0.18 4.97 0.00 -1.26 -2.20 107.32 105.15 3iwp s GLY 117 Ca 0.19 1.91 -0.19 0.00 0.00 0.00 0.00 44.72 46.63 3iwp s GLY 117 CO 0.14 1.23 0.53 0.00 0.00 0.00 0.00 173.10 175.00 3iwp s ALA 118 N -0.74 -1.32 0.04 3.20 0.00 -1.26 -4.98 121.76 116.70 3iwp s ALA 118 Ca -0.04 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.37 3iwp s ALA 118 Cb -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3iwp s ALA 118 CO 0.03 -0.26 -0.07 -0.51 0.00 0.00 0.00 175.76 174.95 3iwp s LEU 119 N 0.12 2.28 0.47 0.00 1.43 -0.54 -2.94 118.68 119.49 3iwp s LEU 119 Ca -0.01 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 3iwp s LEU 119 Cb -0.04 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 3iwp s LEU 119 CO 0.01 -0.26 0.76 -0.89 0.23 0.00 0.00 176.35 176.21 3iwp s THR 120 N -1.68 4.92 0.55 5.49 2.01 0.93 -4.02 115.64 123.85 3iwp s THR 120 Ca -0.09 0.16 0.35 0.00 0.31 0.00 0.00 61.69 62.42 3iwp s THR 120 Cb -0.08 -3.86 0.52 0.00 0.01 0.00 0.00 72.50 69.09 3iwp s THR 120 CO -0.01 -0.81 1.79 -0.08 -0.69 0.00 0.00 174.62 174.82 3iwp h GLU 121 N 0.32 0.00 -0.07 4.92 4.81 -1.96 -1.41 114.58 121.19 3iwp h GLU 121 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3iwp h GLU 121 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3iwp h GLU 121 CO 0.62 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.65 3iwp n ASP 122 N -4.06 0.94 -0.41 1.04 8.00 -1.26 -4.88 116.55 115.92 3iwp n ASP 122 Ca 0.23 -1.48 -0.05 0.00 0.71 0.00 0.00 54.79 54.20 3iwp n ASP 122 Cb 1.20 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.24 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 1.03 0.66 3.73 0.44 0.00 -0.53 -4.79 105.19 105.74 3iwp n GLY 123 Ca 0.17 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.20 2.73 0.67 1.61 3.76 -1.26 -2.30 115.29 118.30 3iwp s HIS 124 Ca 0.00 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 3iwp s HIS 124 Cb 0.00 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 32.08 3iwp s HIS 124 CO 0.00 0.36 1.09 0.42 -0.85 0.00 0.00 174.74 175.76 3iwp s ILE 125 N -2.40 3.43 -1.08 0.60 1.01 -1.26 -0.05 121.20 121.45 3iwp s ILE 125 Ca 0.37 0.62 -0.11 0.00 0.00 0.00 0.00 60.65 61.53 3iwp s ILE 125 Cb -0.03 -3.15 0.24 0.00 0.01 0.00 0.00 42.46 39.53 3iwp s ILE 125 CO 0.23 -0.46 1.13 -0.62 0.00 0.00 0.00 174.94 175.22 3iwp s ASP 126 N -2.84 7.15 0.24 3.58 2.15 -1.15 -4.47 116.67 121.32 3iwp s ASP 126 Ca 0.65 -3.25 -0.06 0.00 0.43 0.00 0.00 52.55 50.32 3iwp s ASP 126 Cb -0.19 -2.26 0.42 0.00 -0.30 0.00 0.00 42.92 40.59 3iwp s ASP 126 CO 0.44 -0.47 1.70 0.11 -0.17 0.00 0.00 175.17 176.78 3iwp h LYS 127 N 7.06 0.31 -0.05 4.34 1.57 -1.93 0.12 116.57 127.99 3iwp h LYS 127 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3iwp h LYS 127 Cb 0.91 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3iwp h LYS 127 CO 1.03 0.21 0.03 0.93 -0.57 0.00 0.00 179.45 181.08 3iwp h GLU 128 N 0.32 0.07 -0.41 3.15 5.08 -1.99 0.84 114.58 121.64 3iwp h GLU 128 Ca 0.39 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 3iwp h GLU 128 Cb 0.62 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3iwp h GLU 128 CO -0.45 0.05 -0.16 1.25 -1.00 0.00 0.00 179.01 178.70 3iwp h LEU 129 N 0.06 0.85 -0.75 1.33 6.46 -1.87 -2.54 115.31 118.86 3iwp h LEU 129 Ca 0.02 -0.39 -0.03 0.00 -0.12 0.00 0.00 57.88 57.36 3iwp h LEU 129 Cb 0.00 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.66 3iwp h LEU 129 CO -0.00 1.05 0.36 0.00 -0.62 0.00 0.00 178.44 179.22 3iwp h MET 131 N 1.05 -0.55 -0.44 0.00 2.86 -0.65 -0.60 114.93 116.59 3iwp h MET 131 Ca 0.26 0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 3iwp h MET 131 Cb 0.12 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3iwp h MET 131 CO -0.03 -0.36 -0.00 0.66 1.06 0.00 0.00 176.91 178.23 3iwp h SER 132 N -0.57 0.69 -0.05 1.22 4.64 -1.43 -2.30 113.55 115.75 3iwp h SER 132 Ca -0.04 -0.16 -0.20 0.00 -0.47 0.00 0.00 61.79 60.92 3iwp h SER 132 Cb 0.47 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3iwp h SER 132 CO 0.04 0.76 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.95 3iwp h LEU 133 N 0.68 0.74 -1.65 5.97 3.38 -1.43 -2.54 115.31 120.47 3iwp h LEU 133 Ca 0.14 -0.70 0.13 0.00 0.09 0.00 0.00 57.88 57.53 3iwp h LEU 133 Cb 0.42 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3iwp h LEU 133 CO 0.02 1.34 0.45 -0.03 0.09 0.00 0.00 178.44 180.30 3iwp h MET 134 N 0.21 0.36 0.53 1.13 4.05 -0.98 0.62 114.93 120.85 3iwp h MET 134 Ca -0.08 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 3iwp h MET 134 Cb 1.41 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 32.13 3iwp h MET 134 CO 0.15 0.24 -0.26 0.00 0.23 0.00 0.00 176.91 177.27 3iwp h ALA 135 N 1.67 -0.72 0.00 0.39 0.00 -1.16 -2.56 119.26 116.90 3iwp h ALA 135 Ca 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3iwp h ALA 135 Cb 0.74 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3iwp h ALA 135 CO -0.09 -0.90 -0.08 0.82 0.00 0.00 0.00 179.25 179.00 3iwp h ILE 136 N -0.72 0.55 0.00 0.00 2.04 -0.62 -1.99 117.51 116.78 3iwp h ILE 136 Ca -0.07 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3iwp h ILE 136 Cb 0.55 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3iwp h ILE 136 CO 0.12 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.35 3iwp n ARG 138 N 0.48 0.00 0.00 0.00 5.12 -0.75 -2.16 116.66 119.35 3iwp n ARG 138 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3iwp n ARG 138 Cb 0.46 -0.24 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 3iwp n ARG 138 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3iwp n PRO 139 N 0.59 0.00 -4.04 5.56 -0.01 -1.26 -4.76 135.00 131.08 3iwp n PRO 139 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 63.50 63.14 3iwp n PRO 139 Cb 0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 33.50 33.54 3iwp n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 3iwp s LEU 140 N 0.00 3.78 0.34 2.45 1.43 -0.92 -5.08 118.68 120.68 3iwp s LEU 140 Ca 0.00 0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.89 3iwp s LEU 140 Cb 0.00 -1.95 -0.12 0.00 0.03 0.00 0.00 46.19 44.15 3iwp s LEU 140 CO 0.00 0.19 1.37 -0.81 0.23 0.00 0.00 176.35 177.33 3iwp n PRO 141 N 3.44 2.30 -4.77 1.29 -0.04 -1.26 -4.88 135.00 131.08 3iwp n PRO 141 Ca -0.17 0.81 -0.25 0.00 -0.04 0.00 0.00 63.50 63.85 3iwp n PRO 141 Cb 0.52 -2.45 -0.16 0.00 -0.04 0.00 0.00 33.50 31.38 3iwp n PRO 141 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iwp s VAL 142 N -0.93 1.33 -0.11 0.52 1.01 -1.26 -2.17 120.40 118.80 3iwp s VAL 142 Ca 0.57 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3iwp s VAL 142 Cb -0.55 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3iwp s VAL 142 CO 0.61 0.39 -0.03 -0.89 0.00 0.00 0.00 175.10 175.17 3iwp s THR 143 N 0.05 3.98 -0.30 3.92 2.01 -0.92 -1.57 115.64 122.80 3iwp s THR 143 Ca -0.03 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 3iwp s THR 143 Cb -0.11 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 3iwp s THR 143 CO 0.02 0.56 0.52 0.12 -0.69 0.00 0.00 174.62 175.15 3iwp s PHE 144 N -0.33 3.22 0.00 4.92 5.36 0.56 -2.01 117.98 129.70 3iwp s PHE 144 Ca 0.06 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3iwp s PHE 144 Cb -0.12 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.73 3iwp s PHE 144 CO 0.02 -0.40 0.00 -2.39 -1.46 0.00 0.00 175.22 170.99 3iwp n HIS 145 N 5.66 -3.05 0.00 10.12 1.44 -0.94 -0.11 115.22 128.33 3iwp n HIS 145 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3iwp n HIS 145 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 3iwp n HIS 145 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3iwp n ARG 146 N -0.83 0.00 -0.37 -1.40 5.12 -1.24 -1.36 116.66 116.58 3iwp n ARG 146 Ca 0.00 0.38 0.30 0.00 -1.93 0.00 0.00 57.85 56.60 3iwp n ARG 146 Cb 0.00 -1.59 0.61 0.00 -1.16 0.00 0.00 32.46 30.32 3iwp n ARG 146 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iwp h ALA 147 N 1.61 2.61 -0.79 7.54 0.00 -1.91 0.58 119.26 128.91 3iwp h ALA 147 Ca 0.00 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.13 3iwp h ALA 147 Cb 0.18 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 3iwp h ALA 147 CO 0.00 -1.08 0.26 0.35 0.00 0.00 0.00 179.25 178.79 3iwp h PHE 148 N 0.21 0.43 0.00 0.00 3.57 -1.49 -1.40 116.94 118.26 3iwp h PHE 148 Ca 0.67 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.21 3iwp h PHE 148 Cb 2.05 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.72 3iwp h PHE 148 CO -0.00 -0.04 0.00 -0.25 -2.23 0.00 0.00 178.31 175.79 3iwp n ASP 149 N -5.09 0.13 -0.15 0.41 8.00 0.20 -1.39 116.55 118.65 3iwp n ASP 149 Ca 0.16 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.32 3iwp n ASP 149 Cb 0.50 -0.56 0.13 0.00 -0.02 0.00 0.00 41.12 41.17 3iwp n ASP 149 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3iwp n MET 150 N -1.65 0.43 -2.01 -1.24 1.56 -0.53 -4.51 117.12 109.16 3iwp n MET 150 Ca 0.02 -0.31 -0.36 0.00 -0.27 0.00 0.00 57.70 56.77 3iwp n MET 150 Cb 0.11 -1.49 0.03 0.00 2.15 0.00 0.00 33.22 34.02 3iwp n MET 150 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3iwp s VAL 151 N -2.78 2.61 -0.23 1.12 1.01 -0.49 -4.90 120.40 116.74 3iwp s VAL 151 Ca 0.15 0.40 0.22 0.00 0.00 0.00 0.00 61.98 62.75 3iwp s VAL 151 Cb 0.18 -3.18 -0.24 0.00 0.00 0.00 0.00 36.38 33.14 3iwp s VAL 151 CO 0.68 -0.06 0.69 1.41 0.00 0.00 0.00 175.10 177.81 3iwp n HIS 152 N -1.33 0.20 -3.52 5.22 8.25 -0.97 -4.61 115.22 118.46 3iwp n HIS 152 Ca 0.12 0.06 -0.31 0.00 -0.26 0.00 0.00 57.72 57.33 3iwp n HIS 152 Cb 0.49 -0.52 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 3iwp n HIS 152 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3iwp n ASP 153 N -2.22 4.04 -0.28 0.41 5.68 -1.26 -4.96 116.55 117.96 3iwp n ASP 153 Ca -0.02 -3.33 0.03 0.00 -0.50 0.00 0.00 54.79 50.97 3iwp n ASP 153 Cb 0.53 -0.84 0.17 0.00 -1.14 0.00 0.00 41.12 39.84 3iwp n ASP 153 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 3iwp h PRO 154 N 4.94 0.68 0.58 0.11 0.13 -1.93 -0.39 132.00 136.12 3iwp h PRO 154 Ca 0.18 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 3iwp h PRO 154 Cb 0.70 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 3iwp h PRO 154 CO 0.88 0.45 -0.36 0.52 -0.23 0.00 0.00 178.00 179.26 3iwp h MET 155 N 0.70 -0.84 -0.97 0.86 2.86 -2.00 -2.75 114.93 112.79 3iwp h MET 155 Ca 0.39 0.06 0.17 0.00 -2.06 0.00 0.00 59.70 58.26 3iwp h MET 155 Cb 0.42 0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.17 3iwp h MET 155 CO -0.28 -0.56 0.57 0.00 1.06 0.00 0.00 176.91 177.71 3iwp h ALA 156 N -1.38 1.56 -0.37 6.32 0.00 -1.87 -0.77 119.26 122.75 3iwp h ALA 156 Ca -0.08 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3iwp h ALA 156 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3iwp h ALA 156 CO 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 3iwp h ALA 157 N 1.62 1.10 -0.57 0.00 0.00 -1.09 -2.88 119.26 117.44 3iwp h ALA 157 Ca 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3iwp h ALA 157 Cb 0.80 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3iwp h ALA 157 CO -0.37 0.56 0.32 1.25 0.00 0.00 0.00 179.25 181.01 3iwp h LEU 158 N 0.59 0.70 -0.88 0.00 6.46 -0.82 -1.37 115.31 119.99 3iwp h LEU 158 Ca 0.10 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.68 3iwp h LEU 158 Cb 0.55 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 3iwp h LEU 158 CO 0.03 0.58 -0.49 -0.33 -0.62 0.00 0.00 178.44 177.61 3iwp h GLU 159 N 0.76 0.00 -0.17 1.25 5.08 -1.51 -1.63 114.58 118.36 3iwp h GLU 159 Ca 0.20 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3iwp h GLU 159 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3iwp h GLU 159 CO -0.03 0.49 -0.04 1.15 -1.00 0.00 0.00 179.01 179.58 3iwp h THR 160 N 0.00 1.28 -0.26 1.13 2.02 -1.23 0.18 112.91 116.03 3iwp h THR 160 Ca -0.00 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 66.11 3iwp h THR 160 Cb 0.97 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3iwp h THR 160 CO 0.06 0.29 -0.16 -0.07 0.37 0.00 0.00 175.52 176.02 3iwp h LEU 161 N 0.04 0.44 -0.35 2.58 3.38 -1.15 0.14 115.31 120.39 3iwp h LEU 161 Ca 0.04 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3iwp h LEU 161 Cb 0.47 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iwp h LEU 161 CO 0.02 0.63 -0.42 0.25 0.09 0.00 0.00 178.44 179.00 3iwp h LEU 162 N 0.42 0.98 -0.38 1.67 6.46 -1.17 -1.49 115.31 121.79 3iwp h LEU 162 Ca 0.07 -0.49 -0.16 0.00 -0.12 0.00 0.00 57.88 57.18 3iwp h LEU 162 Cb 0.53 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 3iwp h LEU 162 CO 0.03 1.27 -0.41 0.00 -0.62 0.00 0.00 178.44 178.71 3iwp h THR 163 N 0.71 1.27 0.00 1.05 1.03 -0.35 -3.29 112.91 113.33 3iwp h THR 163 Ca 0.05 -1.59 0.00 0.00 -0.01 0.00 0.00 66.41 64.86 3iwp h THR 163 Cb 1.02 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 3iwp h THR 163 CO 0.10 0.53 0.00 0.18 -0.01 0.00 0.00 175.52 176.32 3iwp n LEU 164 N -4.05 0.00 0.00 0.00 4.77 0.01 -4.89 117.00 112.84 3iwp n LEU 164 Ca -0.03 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3iwp n LEU 164 Cb 0.56 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3iwp n LEU 164 CO 0.49 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3iwp n GLY 165 N 1.27 1.06 3.70 -0.72 0.00 -0.93 -4.98 105.19 104.60 3iwp n GLY 165 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3iwp n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwp s PHE 166 N -2.00 2.94 0.22 1.61 0.40 -0.61 -4.78 117.98 115.76 3iwp s PHE 166 Ca 0.00 0.75 0.07 0.00 -0.60 0.00 0.00 56.93 57.15 3iwp s PHE 166 Cb 0.00 -3.76 0.17 0.00 0.51 0.00 0.00 43.02 39.94 3iwp s PHE 166 CO 0.00 -2.80 1.50 0.93 0.70 0.00 0.00 175.22 175.55 3iwp h GLU 167 N 7.43 0.09 -4.19 0.44 5.08 -1.61 -3.43 114.58 118.38 3iwp h GLU 167 Ca -0.41 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 57.69 3iwp h GLU 167 Cb 1.20 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.27 3iwp h GLU 167 CO 0.89 0.78 -0.70 1.03 -1.00 0.00 0.00 179.01 180.01 3iwp s ARG 168 N -3.40 0.46 -0.10 2.33 0.52 -1.18 -1.04 118.95 116.53 3iwp s ARG 168 Ca -0.02 -0.83 -0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3iwp s ARG 168 Cb 0.12 0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.65 3iwp s ARG 168 CO 0.79 -0.04 -0.07 0.08 0.02 0.00 0.00 175.30 176.07 3iwp s VAL 169 N -2.18 0.98 0.04 3.52 1.01 0.36 -0.33 120.40 123.81 3iwp s VAL 169 Ca -0.08 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3iwp s VAL 169 Cb -0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3iwp s VAL 169 CO -0.03 0.36 0.91 -0.22 0.00 0.00 0.00 175.10 176.12 3iwp s LEU 170 N 1.61 4.42 -0.01 3.92 0.20 0.84 0.31 118.68 129.97 3iwp s LEU 170 Ca 0.03 1.63 -0.19 0.00 0.69 0.00 0.00 54.13 56.29 3iwp s LEU 170 Cb -0.13 -3.48 0.04 0.00 -0.43 0.00 0.00 46.19 42.19 3iwp s LEU 170 CO -0.07 -0.13 0.42 -0.89 -0.29 0.00 0.00 176.35 175.38 3iwp s THR 171 N 0.46 0.04 -0.16 3.68 2.01 0.96 -3.65 115.64 118.99 3iwp s THR 171 Ca 0.47 -0.37 0.14 0.00 0.31 0.00 0.00 61.69 62.24 3iwp s THR 171 Cb -0.21 -0.78 0.38 0.00 0.01 0.00 0.00 72.50 71.90 3iwp s THR 171 CO 0.27 -0.20 1.19 -1.54 -0.69 0.00 0.00 174.62 173.65 3iwp n SER 172 N 1.00 1.65 -0.82 3.53 3.41 -1.26 -0.19 113.62 120.93 3iwp n SER 172 Ca -0.20 -3.42 -0.09 0.00 -0.26 0.00 0.00 58.87 54.89 3iwp n SER 172 Cb 0.57 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.89 0.75 2.83 5.00 0.00 -1.26 -2.13 105.19 109.48 3iwp n GLY 173 Ca 0.16 -0.58 -0.21 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 -2.61 0.73 0.50 0.00 -1.08 -0.91 -5.01 116.67 108.30 3iwp s ASP 175 Ca 0.23 -1.41 0.16 0.00 -0.52 0.00 0.00 52.55 51.01 3iwp s ASP 175 Cb -0.10 0.29 1.23 0.00 -1.46 0.00 0.00 42.92 42.88 3iwp s ASP 175 CO 0.28 -0.80 2.11 0.77 0.52 0.00 0.00 175.17 178.05 3iwp h SER 176 N 2.48 0.08 -5.13 -0.34 4.64 -1.95 -3.43 113.55 109.89 3iwp h SER 176 Ca -0.37 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 3iwp h SER 176 Cb 1.25 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 3iwp h SER 176 CO 0.56 0.05 -0.42 -0.94 -0.87 0.00 0.00 176.83 175.21 3iwp s SER 177 N -6.85 0.14 0.52 4.97 1.04 -1.26 -4.82 113.70 107.43 3iwp s SER 177 Ca -0.06 -0.59 0.25 0.00 0.48 0.00 0.00 55.95 56.04 3iwp s SER 177 Cb 0.18 0.30 1.38 0.00 0.10 0.00 0.00 66.02 67.98 3iwp s SER 177 CO 0.69 -0.65 1.97 0.00 0.98 0.00 0.00 173.24 176.24 3iwp h ALA 178 N 3.08 2.52 -0.13 5.32 0.00 0.66 0.56 119.26 131.26 3iwp h ALA 178 Ca -0.33 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3iwp h ALA 178 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3iwp h ALA 178 CO 0.54 -0.69 -0.73 1.25 0.00 0.00 0.00 179.25 179.62 3iwp h LEU 179 N 0.04 0.74 -1.19 0.00 6.46 -1.88 -2.91 115.31 116.56 3iwp h LEU 179 Ca 0.29 -0.48 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 3iwp h LEU 179 Cb 1.10 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 3iwp h LEU 179 CO -0.01 1.25 0.34 -0.33 -0.62 0.00 0.00 178.44 179.06 3iwp h GLU 180 N 0.43 0.90 -0.43 1.25 4.39 -1.21 -3.06 114.58 116.86 3iwp h GLU 180 Ca -0.04 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 59.36 3iwp h GLU 180 Cb 1.34 -0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 29.69 3iwp h GLU 180 CO 0.14 0.67 0.04 0.41 -1.16 0.00 0.00 179.01 179.11 3iwp n GLY 181 N -1.20 4.68 0.25 -3.84 0.00 -1.01 -4.73 105.19 99.34 3iwp n GLY 181 Ca 0.06 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 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 1.18 -0.69 -0.59 0.99 6.46 -1.40 -1.65 115.31 119.60 3iwp h LEU 182 Ca 0.24 0.16 0.12 0.00 -0.12 0.00 0.00 57.88 58.28 3iwp h LEU 182 Cb 1.81 0.37 -0.12 0.00 -0.73 0.00 0.00 40.66 41.99 3iwp h LEU 182 CO 0.47 -0.23 -0.22 1.55 -0.62 0.00 0.00 178.44 179.39 3iwp h PRO 183 N -0.13 -0.07 -0.83 5.25 0.13 -1.87 -0.38 132.00 134.10 3iwp h PRO 183 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 3iwp h PRO 183 Cb 0.43 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 3iwp h PRO 183 CO -0.49 -0.05 0.39 1.25 -0.23 0.00 0.00 178.00 178.88 3iwp h LEU 184 N -0.07 1.10 -0.96 1.56 7.12 -1.68 -1.68 115.31 120.70 3iwp h LEU 184 Ca 0.27 -0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 3iwp h LEU 184 Cb 0.50 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.30 3iwp h LEU 184 CO -0.65 0.94 0.58 0.40 -0.13 0.00 0.00 178.44 179.58 3iwp h ILE 185 N 1.19 1.26 0.46 4.05 2.04 -0.42 -1.83 117.51 124.26 3iwp h ILE 185 Ca 0.28 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3iwp h ILE 185 Cb 0.14 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3iwp h ILE 185 CO -0.03 0.27 -0.22 0.50 0.00 0.00 0.00 178.15 178.67 3iwp h LYS 186 N 1.32 -0.60 -0.82 2.37 3.64 -0.55 -1.42 116.57 120.52 3iwp h LYS 186 Ca 0.34 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.96 3iwp h LYS 186 Cb -0.06 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 31.77 3iwp h LYS 186 CO -0.06 -0.33 0.27 0.00 -2.27 0.00 0.00 179.45 177.05 3iwp h ARG 187 N -0.77 0.31 -0.36 1.90 3.08 -1.21 -0.26 114.38 117.07 3iwp h ARG 187 Ca -0.06 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 3iwp h ARG 187 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3iwp h ARG 187 CO 0.10 0.20 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.79 3iwp h LEU 188 N 0.32 0.86 -0.33 3.04 3.38 -1.23 0.14 115.31 121.49 3iwp h LEU 188 Ca 0.49 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3iwp h LEU 188 Cb 0.89 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3iwp h LEU 188 CO -0.54 1.12 0.14 0.40 0.09 0.00 0.00 178.44 179.65 3iwp h ILE 189 N 0.68 1.18 -0.08 1.22 2.04 -0.54 -1.10 117.51 120.91 3iwp h ILE 189 Ca 0.07 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3iwp h ILE 189 Cb 0.90 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3iwp h ILE 189 CO 0.08 0.19 -0.16 -0.33 0.00 0.00 0.00 178.15 177.92 3iwp h GLU 190 N 0.39 0.13 -0.00 2.37 5.08 -0.77 -2.91 114.58 118.87 3iwp h GLU 190 Ca 0.11 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 3iwp h GLU 190 Cb 0.17 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.41 3iwp h GLU 190 CO -0.01 0.30 -0.76 0.37 -1.00 0.00 0.00 179.01 177.92 3iwp h GLN 191 N 0.13 0.52 -0.33 2.33 4.15 -0.56 -3.24 115.11 118.10 3iwp h GLN 191 Ca 0.02 -0.55 0.08 0.00 0.77 0.00 0.00 58.65 58.98 3iwp h GLN 191 Cb 0.37 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3iwp h GLN 191 CO 0.02 1.18 0.23 0.00 -1.93 0.00 0.00 178.83 178.34 3iwp h ALA 192 N 0.35 2.23 -6.81 3.38 0.00 -1.03 -3.46 119.26 113.91 3iwp h ALA 192 Ca -0.09 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 3iwp h ALA 192 Cb 1.45 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 19.02 3iwp h ALA 192 CO 0.15 -0.31 -0.86 1.63 0.00 0.00 0.00 179.25 179.86 3iwp n LYS 193 N -4.45 -2.66 -1.16 0.00 5.02 -1.11 -2.15 118.16 111.65 3iwp n LYS 193 Ca 0.05 0.32 -0.05 0.00 -2.02 0.00 0.00 58.31 56.61 3iwp n LYS 193 Cb 0.36 -4.88 -0.02 0.00 -0.02 0.00 0.00 35.03 30.47 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 -1.48 0.73 0.04 0.72 0.00 -1.26 -4.90 105.19 99.03 3iwp n GLY 194 Ca 0.01 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.29 3iwp n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwp n ARG 195 N -2.83 0.59 -3.83 1.61 1.74 -0.91 -4.93 116.66 108.10 3iwp n ARG 195 Ca -0.05 -0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 56.83 3iwp n ARG 195 Cb 0.16 -1.62 -0.10 0.00 -1.02 0.00 0.00 32.46 29.88 3iwp n ARG 195 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3iwp s ILE 196 N -3.43 0.06 -0.07 0.55 2.07 -1.26 -5.01 121.20 114.11 3iwp s ILE 196 Ca -0.04 -0.46 -0.23 0.00 -1.41 0.00 0.00 60.65 58.51 3iwp s ILE 196 Cb 0.13 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 3iwp s ILE 196 CO 0.86 -0.25 0.69 -0.69 -1.91 0.00 0.00 174.94 173.65 3iwp s VAL 197 N -0.94 5.05 -0.47 4.00 1.01 -0.21 -4.91 120.40 123.91 3iwp s VAL 197 Ca -0.10 1.43 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 3iwp s VAL 197 Cb -0.05 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.41 3iwp s VAL 197 CO 0.02 0.26 0.35 -0.69 0.00 0.00 0.00 175.10 175.03 3iwp s VAL 198 N 0.77 4.21 -0.31 2.92 1.01 -1.26 -0.48 120.40 127.26 3iwp s VAL 198 Ca 0.37 -1.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 3iwp s VAL 198 Cb -0.18 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3iwp s VAL 198 CO 0.18 -0.78 0.85 -0.04 0.00 0.00 0.00 175.10 175.31 3iwp s MET 199 N 1.35 3.97 0.32 2.72 -1.94 0.15 -4.73 119.30 121.14 3iwp s MET 199 Ca 0.06 0.68 -0.28 0.00 -1.71 0.00 0.00 55.69 54.44 3iwp s MET 199 Cb -0.26 -3.73 -0.09 0.00 2.01 0.00 0.00 34.83 32.75 3iwp s MET 199 CO -0.01 -0.73 1.05 -1.25 -0.01 0.00 0.00 175.02 174.07 3iwp s PRO 200 N 3.10 4.51 0.00 2.03 0.04 -1.25 -0.03 135.00 143.41 3iwp s PRO 200 Ca 0.35 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3iwp s PRO 200 Cb -0.14 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3iwp s PRO 200 CO 0.13 0.14 0.02 0.41 0.04 0.00 0.00 177.00 177.74 3iwp n GLY 201 N 0.92 0.84 3.56 0.56 0.00 0.73 -1.45 105.19 110.34 3iwp n GLY 201 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3iwp n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwp s GLY 202 N 0.00 0.56 -1.27 -0.02 0.00 -1.25 -4.38 107.32 100.97 3iwp s GLY 202 Ca 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 3iwp s GLY 202 CO 0.00 3.13 0.16 0.61 0.00 0.00 0.00 173.10 177.00 3iwp n GLY 203 N 6.28 -0.25 3.77 0.20 0.00 -1.26 0.11 105.19 114.05 3iwp n GLY 203 Ca 0.26 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.85 2.10 0.20 -0.61 1.01 -1.26 -4.91 121.20 114.88 3iwp s ILE 204 Ca 0.08 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 3iwp s ILE 204 Cb -0.03 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3iwp s ILE 204 CO 0.10 0.02 0.16 -0.89 0.00 0.00 0.00 174.94 174.32 3iwp s THR 205 N -1.16 0.00 0.14 2.92 2.01 -1.26 -4.41 115.64 113.88 3iwp s THR 205 Ca 0.56 -1.95 0.31 0.00 0.31 0.00 0.00 61.69 60.93 3iwp s THR 205 Cb -0.45 -2.46 0.32 0.00 0.01 0.00 0.00 72.50 69.92 3iwp s THR 205 CO 0.60 -0.02 1.96 -2.24 -0.69 0.00 0.00 174.62 174.23 3iwp h ASP 206 N 2.60 0.00 0.00 3.53 2.03 -1.95 -2.22 116.42 120.41 3iwp h ASP 206 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 3iwp h ASP 206 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3iwp h ASP 206 CO 0.52 0.00 -0.81 -2.11 -1.03 0.00 0.00 179.24 175.81 3iwp n ARG 207 N -2.62 1.37 -0.03 4.15 1.85 -1.26 -4.32 116.66 115.80 3iwp n ARG 207 Ca -0.02 -0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.85 3iwp n ARG 207 Cb 0.08 -1.30 0.03 0.00 -1.05 0.00 0.00 32.46 30.22 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 -1.40 1.82 0.19 2.89 6.94 -1.01 -4.79 115.26 119.89 3iwp n ASN 208 Ca 0.03 -1.58 -0.14 0.00 -0.02 0.00 0.00 54.58 52.87 3iwp n ASN 208 Cb 0.27 -0.04 -0.08 0.00 -2.36 0.00 0.00 39.78 37.56 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 0.72 -0.39 -0.11 -4.53 6.46 -1.60 -1.94 115.31 113.92 3iwp h LEU 209 Ca 0.00 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 3iwp h LEU 209 Cb 0.37 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 3iwp h LEU 209 CO 0.00 -0.12 -0.03 -0.61 -0.62 0.00 0.00 178.44 177.06 3iwp h GLN 210 N -0.66 -0.01 -0.84 1.25 4.15 -1.86 0.10 115.11 117.24 3iwp h GLN 210 Ca -0.05 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.56 3iwp h GLN 210 Cb 0.47 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.05 3iwp h GLN 210 CO 0.08 -0.00 0.35 0.00 -1.93 0.00 0.00 178.83 177.32 3iwp h ARG 211 N -0.01 0.41 -0.06 1.69 -0.00 -1.88 -1.03 114.38 113.51 3iwp h ARG 211 Ca 0.06 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.98 59.43 3iwp h ARG 211 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 29.97 3iwp h ARG 211 CO -0.12 0.27 -0.29 0.82 0.00 0.00 0.00 179.97 180.65 3iwp h ILE 212 N 0.43 1.44 0.47 2.04 2.04 -0.33 0.32 117.51 123.92 3iwp h ILE 212 Ca 0.50 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 3iwp h ILE 212 Cb 0.86 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3iwp h ILE 212 CO -0.48 0.49 -0.23 -0.07 0.00 0.00 0.00 178.15 177.87 3iwp h LEU 213 N -0.22 -0.53 -1.14 1.44 3.38 -0.88 -2.06 115.31 115.30 3iwp h LEU 213 Ca -0.02 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3iwp h LEU 213 Cb 0.95 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3iwp h LEU 213 CO 0.06 -0.27 0.59 -0.33 0.09 0.00 0.00 178.44 178.58 3iwp h GLU 214 N -0.79 1.06 0.00 1.13 5.08 -1.28 0.17 114.58 119.96 3iwp h GLU 214 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3iwp h GLU 214 Cb 0.55 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3iwp h GLU 214 CO 0.11 0.70 0.00 0.41 -1.00 0.00 0.00 179.01 179.23 3iwp n GLY 215 N -1.40 -1.32 0.00 -3.84 0.00 0.10 -4.27 105.19 94.46 3iwp n GLY 215 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3iwp n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iwp n SER 216 N -1.62 3.80 -0.16 1.61 3.41 -0.75 -4.65 113.62 115.26 3iwp n SER 216 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.64 3iwp n SER 216 Cb 0.28 0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.66 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 2.32 0.54 3.79 5.00 0.00 0.52 -4.58 105.19 112.79 3iwp n GLY 217 Ca 0.00 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.08 2.59 0.00 4.61 0.00 -1.25 -4.98 121.76 120.64 3iwp s ALA 218 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3iwp s ALA 218 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3iwp s ALA 218 CO 0.00 -1.13 0.00 2.41 0.00 0.00 0.00 175.76 177.04 3iwp n THR 219 N -2.45 0.00 -4.93 0.00 -1.04 -1.26 -4.95 114.28 99.65 3iwp n THR 219 Ca 0.09 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.83 3iwp n THR 219 Cb 0.53 -0.34 -0.15 0.00 -1.82 0.00 0.00 70.33 68.54 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 -1.98 1.64 0.02 -2.82 2.02 -1.26 -0.31 118.70 116.00 3iwp s GLU 220 Ca 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 3iwp s GLU 220 Cb 0.00 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 3iwp s GLU 220 CO 0.00 0.44 0.05 -0.59 0.02 0.00 0.00 175.26 175.18 3iwp s PHE 221 N -0.60 0.18 -0.14 1.61 -0.12 -0.37 -3.93 117.98 114.61 3iwp s PHE 221 Ca 0.08 -0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 56.57 3iwp s PHE 221 Cb -0.08 -0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.16 3iwp s PHE 221 CO 0.00 -0.25 -0.12 -1.58 -0.05 0.00 0.00 175.22 173.23 3iwp s HIS 222 N -1.58 2.84 0.23 3.49 5.65 -0.53 -0.60 115.29 124.79 3iwp s HIS 222 Ca -0.14 -0.65 -0.03 0.00 0.25 0.00 0.00 55.06 54.49 3iwp s HIS 222 Cb -0.08 -1.87 -0.03 0.00 -1.18 0.00 0.00 32.58 29.42 3iwp s HIS 222 CO -0.00 -0.23 0.24 0.00 -0.65 0.00 0.00 174.74 174.10 3iwp s SER 224 N -3.15 3.27 -1.36 0.00 0.15 -1.26 -3.54 113.70 107.81 3iwp s SER 224 Ca 0.35 -2.40 -0.08 0.00 0.70 0.00 0.00 55.95 54.52 3iwp s SER 224 Cb 0.04 -0.69 0.10 0.00 -1.71 0.00 0.00 66.02 63.77 3iwp s SER 224 CO 0.13 -0.29 2.27 0.00 1.20 0.00 0.00 173.24 176.55 3iwp n ALA 225 N 3.80 6.29 -2.77 5.45 0.00 -1.26 -4.96 120.51 127.06 3iwp n ALA 225 Ca 0.11 -4.08 -0.35 0.00 0.00 0.00 0.00 53.44 49.12 3iwp n ALA 225 Cb 0.36 -3.00 -0.05 0.00 0.00 0.00 0.00 19.45 16.76 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 0.24 3.57 0.08 0.00 0.52 -1.26 -0.42 118.95 121.67 3iwp s ARG 226 Ca 0.50 -0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.68 3iwp s ARG 226 Cb 0.15 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3iwp s ARG 226 CO -0.05 0.68 -0.08 -1.54 0.02 0.00 0.00 175.30 174.32 3iwp s SER 227 N -1.56 1.17 -0.10 0.23 1.04 -0.13 -4.84 113.70 109.51 3iwp s SER 227 Ca 0.25 -0.78 -0.20 0.00 0.48 0.00 0.00 55.95 55.70 3iwp s SER 227 Cb -0.13 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 3iwp s SER 227 CO 0.14 -0.30 0.57 -0.89 0.98 0.00 0.00 173.24 173.74 3iwp s THR 228 N -2.42 5.13 0.15 2.02 2.01 -1.26 -1.62 115.64 119.64 3iwp s THR 228 Ca 0.02 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.21 3iwp s THR 228 Cb -0.03 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3iwp s THR 228 CO -0.01 0.29 0.16 -0.13 -0.69 0.00 0.00 174.62 174.23 3iwp s ARG 229 N 0.73 3.01 0.23 4.92 1.81 0.48 -4.98 118.95 125.14 3iwp s ARG 229 Ca 0.31 -0.78 -0.21 0.00 -1.72 0.00 0.00 55.73 53.32 3iwp s ARG 229 Cb -0.16 -2.73 -0.08 0.00 -0.45 0.00 0.00 34.95 31.53 3iwp s ARG 229 CO 0.13 0.51 0.76 0.34 -0.68 0.00 0.00 175.30 176.36 3iwp s ASP 230 N -3.00 7.15 0.47 0.23 -1.08 -1.26 -2.59 116.67 116.59 3iwp s ASP 230 Ca 0.31 1.52 -0.23 0.00 -0.52 0.00 0.00 52.55 53.63 3iwp s ASP 230 Cb -0.11 -2.46 -0.07 0.00 -1.46 0.00 0.00 42.92 38.83 3iwp s ASP 230 CO 0.24 0.05 1.27 -0.55 0.52 0.00 0.00 175.17 176.70 3iwp s SER 231 N -1.56 5.91 0.07 -0.34 0.15 -0.99 -4.85 113.70 112.09 3iwp s SER 231 Ca 0.43 2.56 0.23 0.00 0.70 0.00 0.00 55.95 59.86 3iwp s SER 231 Cb -0.18 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.43 3iwp s SER 231 CO 0.22 -1.12 1.72 0.61 1.20 0.00 0.00 173.24 175.87 3iwp n GLY 232 N 0.60 -1.33 3.58 9.45 0.00 -1.26 -4.83 105.19 111.40 3iwp n GLY 232 Ca 0.07 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3iwp n GLY 232 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3iwp n MET 233 N -1.72 1.91 0.05 1.61 0.00 -1.26 -4.88 117.12 112.84 3iwp n MET 233 Ca 0.05 0.55 -0.15 0.00 0.00 0.00 0.00 57.70 58.15 3iwp n MET 233 Cb 0.28 -3.09 -0.14 0.00 0.00 0.00 0.00 33.22 30.27 3iwp n MET 233 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3iwp h LYS 234 N 14.19 0.19 -5.50 2.12 1.57 -2.05 -3.43 116.57 123.67 3iwp h LYS 234 Ca -0.40 -0.32 -0.60 0.00 -1.87 0.00 0.00 60.65 57.46 3iwp h LYS 234 Cb 1.25 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.58 3iwp h LYS 234 CO 0.97 1.03 -0.12 0.12 -0.57 0.00 0.00 179.45 180.88 3iwp s PHE 235 N -2.63 3.38 0.15 -1.35 5.36 -1.26 -5.08 117.98 116.55 3iwp s PHE 235 Ca -0.07 0.71 0.10 0.00 -0.96 0.00 0.00 56.93 56.70 3iwp s PHE 235 Cb 0.07 -2.60 -0.04 0.00 -0.34 0.00 0.00 43.02 40.12 3iwp s PHE 235 CO 0.84 -0.04 -0.22 1.03 -1.46 0.00 0.00 175.22 175.37 3iwp s ARG 236 N 1.42 1.31 -0.16 10.12 0.52 -1.26 -5.12 118.95 125.77 3iwp s ARG 236 Ca 0.22 -1.35 -0.00 0.00 -0.52 0.00 0.00 55.73 54.08 3iwp s ARG 236 Cb -0.15 -1.58 0.04 0.00 0.52 0.00 0.00 34.95 33.77 3iwp s ARG 236 CO 0.09 0.35 -0.08 1.21 0.02 0.00 0.00 175.30 176.89 3iwp s ASN 237 N -2.33 2.83 0.39 0.23 3.84 -1.26 -5.13 114.94 113.52 3iwp s ASN 237 Ca 0.14 -0.63 -0.12 0.00 0.21 0.00 0.00 52.86 52.46 3iwp s ASN 237 Cb -0.08 -1.01 -0.07 0.00 -0.55 0.00 0.00 41.25 39.53 3iwp s ASN 237 CO 0.07 -0.15 0.78 -0.55 -2.79 0.00 0.00 177.10 174.46 3iwp s SER 238 N 1.57 6.58 -0.34 -4.21 0.15 -1.26 -5.15 113.70 111.04 3iwp s SER 238 Ca 0.02 1.19 -0.02 0.00 0.70 0.00 0.00 55.95 57.84 3iwp s SER 238 Cb -0.15 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 3iwp s SER 238 CO -0.08 -0.37 0.30 -1.54 1.20 0.00 0.00 173.24 172.75 3iwp n SER 239 N -1.11 -3.42 0.21 5.45 3.41 -1.26 -5.32 113.62 111.58 3iwp n SER 239 Ca 0.03 -0.23 0.16 0.00 -0.26 0.00 0.00 58.87 58.57 3iwp n SER 239 Cb 0.54 -2.03 0.82 0.00 -0.26 0.00 0.00 64.21 63.28 3iwp n SER 239 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3iwp h SER 249 N -0.36 0.00 0.00 4.04 4.64 -2.07 -3.56 113.55 116.23 3iwp h SER 249 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3iwp h SER 249 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3iwp h SER 249 CO 0.14 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.31 3iwp n GLU 250 N -3.90 0.00 -2.32 4.77 4.07 -1.26 -4.79 120.64 117.21 3iwp n GLU 250 Ca 0.01 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.08 3iwp n GLU 250 Cb 0.28 -3.07 0.05 0.00 -0.06 0.00 0.00 31.44 28.64 3iwp n GLU 250 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3iwp n TYR 251 N -2.00 1.25 -3.74 4.31 4.02 -1.26 -5.06 117.16 114.68 3iwp n TYR 251 Ca 0.00 -1.83 -0.12 0.00 -0.01 0.00 0.00 57.90 55.94 3iwp n TYR 251 Cb 0.00 -0.24 -0.12 0.00 -0.02 0.00 0.00 39.34 38.96 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 -3.42 -0.30 -0.16 7.72 1.04 -1.26 -2.35 113.70 114.97 3iwp s SER 252 Ca 0.33 0.58 -0.10 0.00 0.48 0.00 0.00 55.95 57.24 3iwp s SER 252 Cb 0.35 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 3iwp s SER 252 CO -0.05 -0.15 0.18 -0.76 0.98 0.00 0.00 173.24 173.43 3iwp s LEU 253 N 1.03 4.28 -0.87 2.42 1.43 -1.07 -4.93 118.68 120.97 3iwp s LEU 253 Ca -0.07 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 3iwp s LEU 253 Cb -0.08 -2.16 0.23 0.00 0.03 0.00 0.00 46.19 44.20 3iwp s LEU 253 CO -0.07 0.24 0.80 -0.54 0.23 0.00 0.00 176.35 177.01 3iwp s LYS 254 N -0.07 3.63 0.06 1.70 1.02 -1.26 -0.39 119.74 124.42 3iwp s LYS 254 Ca 0.12 -2.63 -0.03 0.00 0.02 0.00 0.00 55.97 53.46 3iwp s LYS 254 Cb -0.12 -4.39 -0.04 0.00 -0.52 0.00 0.00 37.83 32.76 3iwp s LYS 254 CO 0.01 -1.27 0.25 0.08 -0.92 0.00 0.00 175.35 173.50 3iwp s VAL 255 N -0.16 5.33 0.09 3.17 1.01 -0.64 -4.83 120.40 124.38 3iwp s VAL 255 Ca 0.20 -0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 3iwp s VAL 255 Cb -0.11 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 3iwp s VAL 255 CO -0.08 0.19 1.84 -0.89 0.00 0.00 0.00 175.10 176.15 3iwp s THR 256 N -1.47 2.72 -0.18 3.92 2.01 -1.26 -0.96 115.64 120.42 3iwp s THR 256 Ca 0.34 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.22 3iwp s THR 256 Cb -0.13 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 3iwp s THR 256 CO 0.24 -0.00 0.69 -0.62 -0.69 0.00 0.00 174.62 174.23 3iwp s ASP 257 N 3.08 6.79 0.11 3.53 -1.08 0.44 -4.85 116.67 124.68 3iwp s ASP 257 Ca 0.82 0.96 -0.21 0.00 -0.52 0.00 0.00 52.55 53.59 3iwp s ASP 257 Cb -0.44 -2.38 -0.11 0.00 -1.46 0.00 0.00 42.92 38.53 3iwp s ASP 257 CO 0.37 -0.29 1.75 0.58 0.52 0.00 0.00 175.17 178.11 3iwp h VAL 258 N 5.13 1.01 -0.03 1.11 2.07 -1.87 -2.37 116.25 121.30 3iwp h VAL 258 Ca -0.32 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3iwp h VAL 258 Cb 1.15 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 3iwp h VAL 258 CO 0.79 0.02 -0.34 0.74 0.02 0.00 0.00 177.57 178.80 3iwp h THR 259 N 0.12 0.26 -0.89 2.57 2.02 -1.93 0.26 112.91 115.32 3iwp h THR 259 Ca 0.04 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.37 3iwp h THR 259 Cb -0.00 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 3iwp h THR 259 CO -0.02 0.00 0.57 0.11 0.37 0.00 0.00 175.52 176.56 3iwp h LYS 260 N -0.48 0.61 -0.01 6.66 1.57 -1.87 0.64 116.57 123.69 3iwp h LYS 260 Ca 0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3iwp h LYS 260 Cb 0.58 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3iwp h LYS 260 CO -0.30 0.41 -0.02 0.28 -0.57 0.00 0.00 179.45 179.24 3iwp h VAL 261 N 0.63 1.46 -0.57 0.50 2.07 -0.74 -1.94 116.25 117.67 3iwp h VAL 261 Ca 0.45 -1.40 0.11 0.00 0.82 0.00 0.00 66.70 66.69 3iwp h VAL 261 Cb 0.80 2.38 -0.11 0.00 -1.52 0.00 0.00 31.29 32.85 3iwp h VAL 261 CO -0.20 0.37 -0.19 0.03 0.02 0.00 0.00 177.57 177.59 3iwp h ARG 262 N -0.54 -0.05 0.04 1.57 3.08 0.16 -1.16 114.38 117.49 3iwp h ARG 262 Ca -0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3iwp h ARG 262 Cb 0.61 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 3iwp h ARG 262 CO 0.01 -0.03 -0.18 1.15 -1.07 0.00 0.00 179.97 179.84 3iwp h THR 263 N -0.05 0.57 -0.63 2.04 2.02 -0.89 0.75 112.91 116.71 3iwp h THR 263 Ca 0.27 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.56 3iwp h THR 263 Cb 0.47 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 3iwp h THR 263 CO -0.61 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 175.42 3iwp h LEU 264 N -0.32 0.18 -0.47 2.58 3.38 -0.79 -0.76 115.31 119.11 3iwp h LEU 264 Ca 0.04 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3iwp h LEU 264 Cb 0.37 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3iwp h LEU 264 CO -0.14 0.10 0.01 -1.13 0.09 0.00 0.00 178.44 177.37 3iwp h ASN 265 N 0.38 0.80 -0.34 -0.43 -0.73 -0.91 -2.08 115.58 112.27 3iwp h ASN 265 Ca 0.33 -0.30 0.05 0.00 1.87 0.00 0.00 56.30 58.25 3iwp h ASN 265 Cb 0.45 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.77 3iwp h ASN 265 CO -0.35 0.91 0.05 0.00 -0.37 0.00 0.00 177.43 177.67 3iwp h ALA 266 N 0.92 0.35 -0.96 1.57 0.00 -0.05 -0.65 119.26 120.45 3iwp h ALA 266 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3iwp h ALA 266 Cb 0.49 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3iwp h ALA 266 CO 0.02 -0.36 0.60 0.82 0.00 0.00 0.00 179.25 180.34 3iwp h ILE 267 N 0.16 1.25 -0.23 0.00 2.04 -1.11 -2.10 117.51 117.53 3iwp h ILE 267 Ca 0.16 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3iwp h ILE 267 Cb 0.20 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3iwp h ILE 267 CO -0.23 0.26 0.14 0.00 0.00 0.00 0.00 178.15 178.31 3iwp h ALA 268 N 1.36 0.29 0.45 1.87 0.00 -0.55 -2.15 119.26 120.53 3iwp h ALA 268 Ca 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3iwp h ALA 268 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iwp h ALA 268 CO -0.07 -0.26 -0.39 0.87 0.00 0.00 0.00 179.25 179.41 3iwp h LYS 269 N 0.28 -0.81 0.00 0.00 1.57 -0.94 -3.26 116.57 113.42 3iwp h LYS 269 Ca 0.09 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3iwp h LYS 269 Cb -0.01 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3iwp h LYS 269 CO -0.04 -0.54 -0.13 -0.91 -0.57 0.00 0.00 179.45 177.26 3iwp h ASN 270 N -0.84 0.00 -0.84 0.86 4.21 -1.24 -3.04 115.58 114.70 3iwp h ASN 270 Ca -0.04 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.56 3iwp h ASN 270 Cb 0.73 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.85 3iwp h ASN 270 CO -0.02 0.13 0.48 0.40 -1.29 0.00 0.00 177.43 177.13 3iwp h ILE 271 N 0.00 0.90 0.36 2.81 2.04 -1.43 -3.29 117.51 118.91 3iwp h ILE 271 Ca -0.00 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3iwp h ILE 271 Cb 0.24 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3iwp h ILE 271 CO 0.02 0.15 -0.17 -0.07 0.00 0.00 0.00 178.15 178.07 3iwp h LEU 272 N 0.80 -0.41 0.00 1.44 3.38 -1.70 -3.52 115.31 115.30 3iwp h LEU 272 Ca 0.41 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3iwp h LEU 272 Cb 0.38 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3iwp h LEU 272 CO -0.25 -0.15 0.00 0.52 0.09 0.00 0.00 178.44 178.65