#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inz n SER -2 N 0.00 0.13 -4.05 1.61 2.88 -1.26 -4.76 113.62 108.17 1inz n SER -2 Ca 0.00 0.24 -0.34 0.00 -1.33 0.00 0.00 58.87 57.44 1inz n SER -2 Cb 0.00 -0.52 -0.07 0.00 -0.75 0.00 0.00 64.21 62.86 1inz n SER -2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1inz n SER -1 N -2.44 4.04 -3.64 -3.46 2.88 -1.26 -4.90 113.62 104.83 1inz n SER -1 Ca -0.01 -3.17 -0.03 0.00 -1.33 0.00 0.00 58.87 54.34 1inz n SER -1 Cb 0.02 -0.99 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 1inz n SER -1 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1inz s ARG 0 N -1.48 0.31 0.00 -1.46 3.52 -1.26 -4.92 118.95 113.66 1inz s ARG 0 Ca 0.28 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 1inz s ARG 0 Cb -0.05 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 1inz s ARG 0 CO -0.13 -0.05 0.00 -0.12 -0.81 0.00 0.00 175.30 174.19 1inz n MET 1 N 3.01 -1.54 -2.49 5.12 1.56 -1.26 -4.80 117.12 116.72 1inz n MET 1 Ca -0.16 0.38 -0.10 0.00 -0.27 0.00 0.00 57.70 57.55 1inz n MET 1 Cb 0.57 -4.54 0.04 0.00 2.15 0.00 0.00 33.22 31.44 1inz n MET 1 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1inz n SER 2 N -0.77 3.00 -4.37 6.12 7.64 -1.26 -4.98 113.62 119.00 1inz n SER 2 Ca 0.00 -2.77 -0.45 0.00 1.01 0.00 0.00 58.87 56.66 1inz n SER 2 Cb 0.38 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 1inz n SER 2 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1inz s THR 3 N -4.15 5.62 1.08 0.44 2.01 -1.26 -5.04 115.64 114.34 1inz s THR 3 Ca 0.37 -2.86 -0.18 0.00 0.31 0.00 0.00 61.69 59.33 1inz s THR 3 Cb 0.36 -4.63 0.07 0.00 0.01 0.00 0.00 72.50 68.30 1inz s THR 3 CO -0.01 -1.24 -0.04 -1.54 -0.69 0.00 0.00 174.62 171.10 1inz n SER 4 N 3.89 -2.45 -4.26 3.53 3.41 -1.26 -5.03 113.62 111.46 1inz n SER 4 Ca 0.23 -0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 1inz n SER 4 Cb 0.43 -0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 63.30 1inz n SER 4 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1inz s SER 5 N -1.80 0.98 -0.27 4.04 0.01 -1.26 -5.13 113.70 110.27 1inz s SER 5 Ca 0.54 -1.29 -0.07 0.00 1.31 0.00 0.00 55.95 56.45 1inz s SER 5 Cb -0.12 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 1inz s SER 5 CO 0.67 -0.68 0.06 -0.76 0.41 0.00 0.00 173.24 172.94 1inz s LEU 6 N -3.21 3.58 -0.07 2.44 1.02 -1.26 -5.08 118.68 116.09 1inz s LEU 6 Ca 0.31 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 54.04 1inz s LEU 6 Cb 0.07 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.39 1inz s LEU 6 CO 0.09 -0.11 -0.22 -0.60 0.02 0.00 0.00 176.35 175.53 1inz s ARG 7 N 1.55 2.51 -0.26 1.70 3.52 -1.26 -5.12 118.95 121.59 1inz s ARG 7 Ca 0.05 -0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 54.61 1inz s ARG 7 Cb -0.16 -2.01 0.10 0.00 -1.56 0.00 0.00 34.95 31.32 1inz s ARG 7 CO 0.02 0.23 0.91 -0.98 -0.81 0.00 0.00 175.30 174.67 1inz s ARG 8 N 0.17 0.65 -0.20 5.12 1.70 -1.26 -5.02 118.95 120.12 1inz s ARG 8 Ca -0.11 0.69 0.05 0.00 -0.47 0.00 0.00 55.73 55.89 1inz s ARG 8 Cb -0.15 0.32 0.42 0.00 -0.57 0.00 0.00 34.95 34.97 1inz s ARG 8 CO 0.06 -0.10 1.38 0.94 -1.08 0.00 0.00 175.30 176.50 1inz n GLN 9 N 2.21 2.45 -4.36 3.89 0.00 -1.26 -4.89 117.38 115.43 1inz n GLN 9 Ca -0.13 -1.76 -0.28 0.00 -0.00 0.00 0.00 57.00 54.84 1inz n GLN 9 Cb 0.56 -1.80 -0.11 0.00 0.00 0.00 0.00 30.24 28.88 1inz n GLN 9 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1inz s MET 10 N -1.94 1.70 0.00 3.69 -1.94 -1.26 -5.09 119.30 114.46 1inz s MET 10 Ca 0.32 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 1inz s MET 10 Cb 0.26 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1inz s MET 10 CO 0.08 0.43 0.00 1.63 -0.01 0.00 0.00 175.02 177.15 1inz n LYS 11 N 0.39 0.00 -2.65 2.03 4.76 -1.26 -5.02 118.16 116.41 1inz n LYS 11 Ca -0.13 0.05 -0.03 0.00 -2.87 0.00 0.00 58.31 55.33 1inz n LYS 11 Cb 0.55 -0.32 -0.04 0.00 -1.84 0.00 0.00 35.03 33.39 1inz n LYS 11 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1inz n ASN 12 N -1.47 -1.01 -4.23 4.39 3.02 -1.26 -5.15 115.26 109.56 1inz n ASN 12 Ca 0.00 -1.51 -0.27 0.00 -0.03 0.00 0.00 54.58 52.78 1inz n ASN 12 Cb 0.00 1.00 -0.15 0.00 -0.61 0.00 0.00 39.78 40.02 1inz n ASN 12 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1inz s ILE 13 N 0.00 1.63 -0.36 2.41 1.01 -1.26 -4.89 121.20 119.75 1inz s ILE 13 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1inz s ILE 13 Cb 0.01 -1.38 0.04 0.00 0.01 0.00 0.00 42.46 41.15 1inz s ILE 13 CO -0.00 0.39 0.52 0.52 0.00 0.00 0.00 174.94 176.36 1inz n VAL 14 N 2.36 -4.19 -3.16 2.92 0.31 -1.26 -4.89 118.33 110.43 1inz n VAL 14 Ca -0.16 0.25 -0.32 0.00 -0.01 0.00 0.00 64.34 64.10 1inz n VAL 14 Cb 0.53 -3.76 -0.04 0.00 -0.91 0.00 0.00 33.84 29.66 1inz n VAL 14 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1inz n HIS 15 N 0.11 3.33 -3.76 3.52 -0.00 -1.26 -5.04 115.22 112.11 1inz n HIS 15 Ca -0.06 -3.61 -0.25 0.00 0.46 0.00 0.00 57.72 54.26 1inz n HIS 15 Cb 0.62 -0.77 0.00 0.00 -0.12 0.00 0.00 29.99 29.73 1inz n HIS 15 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1inz s ASN 16 N -2.42 4.70 0.02 0.26 2.20 -1.26 -5.06 114.94 113.38 1inz s ASN 16 Ca 0.40 -1.19 -0.30 0.00 -0.94 0.00 0.00 52.86 50.82 1inz s ASN 16 Cb 0.16 0.41 -0.07 0.00 -2.00 0.00 0.00 41.25 39.75 1inz s ASN 16 CO -0.02 -1.15 1.55 -0.31 -2.94 0.00 0.00 177.10 174.23 1inz s TYR 17 N -2.76 2.52 -0.01 1.54 2.02 -1.26 -4.76 117.35 114.65 1inz s TYR 17 Ca 0.38 0.51 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 1inz s TYR 17 Cb -0.03 -3.83 0.01 0.00 -0.40 0.00 0.00 41.96 37.72 1inz s TYR 17 CO 0.24 -3.26 0.43 0.45 -1.57 0.00 0.00 175.55 171.84 1inz n SER 18 N 5.79 -0.05 -0.62 2.29 2.88 -1.26 -4.96 113.62 117.69 1inz n SER 18 Ca 0.15 -0.84 0.07 0.00 -1.33 0.00 0.00 58.87 56.92 1inz n SER 18 Cb 0.42 0.02 0.09 0.00 -0.75 0.00 0.00 64.21 63.99 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1inz n GLU 19 N -0.05 1.35 -0.13 -1.46 1.02 -1.26 -4.55 120.64 115.56 1inz n GLU 19 Ca -0.01 -1.52 -0.10 0.00 -0.02 0.00 0.00 57.16 55.52 1inz n GLU 19 Cb 0.46 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inz h ALA 20 N 2.73 0.52 -0.78 0.62 0.00 -1.94 -2.43 119.26 117.98 1inz h ALA 20 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1inz h ALA 20 Cb 0.63 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1inz h ALA 20 CO 0.00 0.20 0.44 1.05 0.00 0.00 0.00 179.25 180.94 1inz h GLU 21 N 0.49 0.74 0.32 0.00 4.11 -1.80 -1.74 114.58 116.69 1inz h GLU 21 Ca 0.12 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 1inz h GLU 21 Cb 0.32 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1inz h GLU 21 CO 0.00 0.49 -0.15 0.82 0.07 0.00 0.00 179.01 180.23 1inz h ILE 22 N 0.76 0.70 0.03 -1.06 1.08 -1.80 -2.75 117.51 114.47 1inz h ILE 22 Ca 0.37 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 1inz h ILE 22 Cb 0.32 0.88 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 1inz h ILE 22 CO -0.23 0.07 -0.49 0.11 -0.69 0.00 0.00 178.15 176.91 1inz h LYS 23 N -0.62 -0.64 -0.89 2.37 1.79 -1.09 -0.94 116.57 116.56 1inz h LYS 23 Ca -0.04 0.04 0.24 0.00 -2.18 0.00 0.00 60.65 58.71 1inz h LYS 23 Cb 0.44 0.14 -0.15 0.00 -1.58 0.00 0.00 32.23 31.09 1inz h LYS 23 CO 0.07 -0.42 0.23 0.28 -1.08 0.00 0.00 179.45 178.53 1inz h VAL 24 N -0.66 0.29 -0.68 0.50 2.07 -1.35 0.49 116.25 116.91 1inz h VAL 24 Ca 0.02 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1inz h VAL 24 Cb 0.71 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1inz h VAL 24 CO -0.33 0.03 0.23 -0.09 0.02 0.00 0.00 177.57 177.43 1inz h ARG 25 N 0.19 1.03 0.00 1.57 2.43 -0.90 -1.75 114.38 116.95 1inz h ARG 25 Ca 0.56 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1inz h ARG 25 Cb 1.15 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1inz h ARG 25 CO -0.68 0.87 -0.04 0.93 -1.51 0.00 0.00 179.97 179.54 1inz h GLU 26 N 1.00 0.00 0.00 0.20 4.39 0.99 -2.68 114.58 118.48 1inz h GLU 26 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1inz h GLU 26 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1inz h GLU 26 CO -0.01 0.04 -0.54 0.00 -1.16 0.00 0.00 179.01 177.34 1inz h ALA 27 N 1.96 0.66 -1.05 3.43 0.00 -0.19 -3.34 119.26 120.73 1inz h ALA 27 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1inz h ALA 27 Cb 0.63 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.05 1inz h ALA 27 CO 0.01 0.00 -0.09 0.25 0.00 0.00 0.00 179.25 179.41 1inz n THR 28 N -2.28 2.92 -3.01 0.00 -2.24 -0.84 -4.81 114.28 104.02 1inz n THR 28 Ca 0.03 -4.13 0.00 0.00 -2.27 0.00 0.00 64.05 57.68 1inz n THR 28 Cb 0.46 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1inz n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1inz n SER 29 N -0.67 0.00 -2.90 3.42 7.64 -1.24 -4.71 113.62 115.17 1inz n SER 29 Ca 0.49 -0.54 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 1inz n SER 29 Cb 0.69 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.93 1inz n SER 29 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1inz n ASN 30 N -0.29 -0.56 0.04 6.43 0.23 -1.26 -4.97 115.26 114.87 1inz n ASN 30 Ca 0.00 -3.16 -0.12 0.00 -0.53 0.00 0.00 54.58 50.77 1inz n ASN 30 Cb 0.00 0.51 -0.08 0.00 -2.08 0.00 0.00 39.78 38.13 1inz n ASN 30 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1inz h ASP 31 N 2.88 -0.03 -4.09 0.53 3.58 -1.92 -3.44 116.42 113.94 1inz h ASP 31 Ca -0.04 -0.14 -0.45 0.00 0.42 0.00 0.00 57.03 56.82 1inz h ASP 31 Cb 1.08 0.01 0.14 0.00 1.72 0.00 0.00 39.33 42.28 1inz h ASP 31 CO 0.30 0.12 0.27 -2.16 -2.88 0.00 0.00 179.24 174.88 1inz s PRO 32 N -5.63 0.75 0.00 0.28 0.04 -1.26 -5.03 135.00 124.16 1inz s PRO 32 Ca -0.14 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1inz s PRO 32 Cb 0.05 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1inz s PRO 32 CO 0.66 -2.46 0.14 0.91 0.04 0.00 0.00 177.00 176.29 1inz n TRP 33 N -3.95 0.00 -0.24 0.56 8.01 -1.26 -4.85 117.44 115.71 1inz n TRP 33 Ca 0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1inz n TRP 33 Cb 0.59 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.89 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1inz n GLY 34 N -0.11 -1.99 0.13 6.99 0.00 -1.26 -5.03 105.19 103.92 1inz n GLY 34 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 1inz n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1inz n PRO 35 N -0.58 -1.82 -3.31 1.61 -0.04 -1.26 -4.94 135.00 124.66 1inz n PRO 35 Ca 0.00 -0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.17 1inz n PRO 35 Cb 0.00 -0.07 -0.00 0.00 -0.04 0.00 0.00 33.50 33.39 1inz n PRO 35 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1inz s SER 36 N -1.92 6.12 -1.00 3.54 0.01 -1.26 -4.95 113.70 114.24 1inz s SER 36 Ca 0.03 0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 1inz s SER 36 Cb -0.00 -1.78 0.18 0.00 0.21 0.00 0.00 66.02 64.63 1inz s SER 36 CO 0.02 -0.42 1.11 -0.44 0.41 0.00 0.00 173.24 173.92 1inz s SER 37 N -4.10 6.86 -0.50 2.44 0.01 -1.26 -4.65 113.70 112.49 1inz s SER 37 Ca 0.43 -2.63 -0.14 0.00 1.31 0.00 0.00 55.95 54.92 1inz s SER 37 Cb -0.10 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.82 1inz s SER 37 CO 0.36 -0.77 0.62 -0.24 0.41 0.00 0.00 173.24 173.62 1inz n SER 38 N 5.22 -7.69 -0.01 2.44 2.88 -1.26 -4.98 113.62 110.22 1inz n SER 38 Ca 0.25 0.34 -0.01 0.00 -1.33 0.00 0.00 58.87 58.12 1inz n SER 38 Cb 0.46 -5.04 -0.01 0.00 -0.75 0.00 0.00 64.21 58.87 1inz n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1inz n LEU 39 N -0.62 0.95 0.48 2.46 7.94 -1.26 -4.63 117.00 122.32 1inz n LEU 39 Ca 0.07 -0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.78 1inz n LEU 39 Cb 0.49 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.35 1inz n LEU 39 CO 0.50 0.20 0.52 -0.03 -1.11 0.00 0.00 177.39 177.46 1inz h MET 40 N 0.00 -1.18 -1.09 1.96 4.05 -1.95 -2.14 114.93 114.58 1inz h MET 40 Ca -0.05 0.08 0.32 0.00 -0.28 0.00 0.00 59.70 59.77 1inz h MET 40 Cb 1.10 0.27 -0.04 0.00 -0.80 0.00 0.00 31.60 32.12 1inz h MET 40 CO -0.00 -0.79 0.90 0.77 0.23 0.00 0.00 176.91 178.02 1inz h SER 41 N -1.26 0.00 0.03 1.39 0.02 -1.96 0.79 113.55 112.56 1inz h SER 41 Ca -0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1inz h SER 41 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1inz h SER 41 CO 0.21 0.00 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.80 1inz h GLU 42 N 0.00 -0.04 -0.58 3.45 4.57 -1.66 -2.59 114.58 117.73 1inz h GLU 42 Ca 0.52 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.84 1inz h GLU 42 Cb 2.30 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.87 1inz h GLU 42 CO -0.01 0.53 0.41 0.82 -1.18 0.00 0.00 179.01 179.58 1inz h ILE 43 N -0.64 0.77 0.17 2.32 2.04 -0.36 -1.85 117.51 119.97 1inz h ILE 43 Ca -0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1inz h ILE 43 Cb 0.58 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1inz h ILE 43 CO 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 178.15 178.10 1inz h ALA 44 N 1.71 -0.22 -0.06 1.87 0.00 -1.40 -2.39 119.26 118.78 1inz h ALA 44 Ca 0.28 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1inz h ALA 44 Cb 0.90 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1inz h ALA 44 CO -0.04 -0.36 0.36 0.22 0.00 0.00 0.00 179.25 179.42 1inz h ASP 45 N -0.75 0.00 0.45 0.00 1.82 -0.95 0.27 116.42 117.26 1inz h ASP 45 Ca -0.02 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.31 1inz h ASP 45 Cb 0.52 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.54 1inz h ASP 45 CO 0.04 0.00 -1.39 -0.07 -1.61 0.00 0.00 179.24 176.21 1inz h LEU 46 N 0.00 0.60 -0.79 2.28 3.38 -1.02 -3.29 115.31 116.46 1inz h LEU 46 Ca 0.03 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 57.46 1inz h LEU 46 Cb 0.74 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1inz h LEU 46 CO -0.00 1.52 0.41 0.71 0.09 0.00 0.00 178.44 181.17 1inz h THR 47 N 0.10 0.80 -0.98 0.22 1.35 0.03 0.48 112.91 114.91 1inz h THR 47 Ca -0.20 -0.22 0.32 0.00 -0.55 0.00 0.00 66.41 65.76 1inz h THR 47 Cb 2.06 0.11 -0.16 0.00 -1.73 0.00 0.00 68.15 68.43 1inz h THR 47 CO 0.23 0.12 0.47 1.88 -0.25 0.00 0.00 175.52 177.96 1inz h TYR 48 N 0.64 0.74 -1.29 4.73 0.05 -1.61 -3.25 116.97 116.97 1inz h TYR 48 Ca 0.41 0.04 -0.46 0.00 0.05 0.00 0.00 58.73 58.77 1inz h TYR 48 Cb 0.50 -0.16 -0.07 0.00 1.01 0.00 0.00 36.73 38.01 1inz h TYR 48 CO -0.10 -0.26 1.14 1.21 -1.05 0.00 0.00 178.16 179.09 1inz s ASN 49 N -4.86 5.76 0.00 3.88 3.84 0.15 -4.85 114.94 118.86 1inz s ASN 49 Ca -0.10 -0.74 0.00 0.00 0.21 0.00 0.00 52.86 52.23 1inz s ASN 49 Cb 0.30 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.44 1inz s ASN 49 CO 0.78 -2.14 0.00 1.33 -2.79 0.00 0.00 177.10 174.28 1inz n VAL 50 N 7.22 0.00 0.18 -5.21 0.24 -1.23 0.11 118.33 119.64 1inz n VAL 50 Ca 0.29 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.52 1inz n VAL 50 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 1inz n VAL 50 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1inz h VAL 51 N 0.00 0.00 -0.89 3.34 2.07 -1.89 -3.04 116.25 115.84 1inz h VAL 51 Ca 0.00 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.62 1inz h VAL 51 Cb 0.00 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.60 1inz h VAL 51 CO 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.45 1inz n ALA 52 N -2.30 0.29 0.06 1.67 0.00 0.30 0.11 120.51 120.64 1inz n ALA 52 Ca -0.06 0.97 -0.11 0.00 0.00 0.00 0.00 53.44 54.24 1inz n ALA 52 Cb 0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 1inz n ALA 52 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1inz h PHE 53 N 0.00 -0.56 -0.16 0.00 3.57 -1.42 0.16 116.94 118.53 1inz h PHE 53 Ca 0.47 0.02 0.05 0.00 3.53 0.00 0.00 57.97 62.03 1inz h PHE 53 Cb 0.80 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1inz h PHE 53 CO -0.61 -0.30 0.17 1.03 -2.23 0.00 0.00 178.31 176.37 1inz h SER 54 N -0.34 0.00 1.21 0.41 0.87 -0.21 0.22 113.55 115.71 1inz h SER 54 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1inz h SER 54 Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1inz h SER 54 CO -0.18 0.00 -0.79 -0.33 -0.53 0.00 0.00 176.83 174.99 1inz h GLU 55 N 0.00 0.00 0.00 2.24 4.39 -0.19 -3.21 114.58 117.81 1inz h GLU 55 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1inz h GLU 55 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1inz h GLU 55 CO -0.00 0.03 0.00 -0.89 -1.16 0.00 0.00 179.01 176.99 1inz n ILE 56 N -2.80 0.00 -0.30 3.13 5.41 0.38 -3.08 119.36 122.11 1inz n ILE 56 Ca 0.00 0.55 0.18 0.00 1.00 0.00 0.00 62.75 64.48 1inz n ILE 56 Cb 0.57 -1.54 0.46 0.00 -0.71 0.00 0.00 39.64 38.42 1inz n ILE 56 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1inz h MET 57 N 0.00 0.49 0.45 0.38 2.86 -1.70 -1.27 114.93 116.14 1inz h MET 57 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1inz h MET 57 Cb 0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1inz h MET 57 CO 0.00 0.33 -0.52 1.03 1.06 0.00 0.00 176.91 178.81 1inz h SER 58 N 0.51 -1.44 -0.10 1.22 0.87 -1.69 0.15 113.55 113.06 1inz h SER 58 Ca 0.54 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 61.25 1inz h SER 58 Cb 1.19 0.49 -0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1inz h SER 58 CO -0.27 -0.66 0.08 0.24 -0.53 0.00 0.00 176.83 175.69 1inz h MET 59 N -0.98 0.00 -0.09 2.24 2.07 -1.25 0.12 114.93 117.03 1inz h MET 59 Ca -0.06 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.49 1inz h MET 59 Cb 0.87 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.59 1inz h MET 59 CO -0.10 0.00 -0.31 0.82 1.07 0.00 0.00 176.91 178.39 1inz h ILE 60 N 0.00 1.25 0.00 -1.22 2.04 -0.02 -2.98 117.51 116.59 1inz h ILE 60 Ca 0.05 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 1inz h ILE 60 Cb 0.21 1.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1inz h ILE 60 CO -0.00 0.36 -0.28 -0.50 0.00 0.00 0.00 178.15 177.73 1inz h TRP 61 N 0.16 0.27 -0.00 1.37 -0.00 0.88 -2.44 115.95 116.18 1inz h TRP 61 Ca 0.02 -0.15 0.02 0.00 -0.00 0.00 0.00 58.89 58.78 1inz h TRP 61 Cb 0.63 -0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 29.71 1inz h TRP 61 CO 0.01 0.96 -0.44 0.87 -0.00 0.00 0.00 178.44 179.84 1inz h LYS 62 N -0.49 -0.53 0.00 0.49 1.57 -1.40 0.10 116.57 116.31 1inz h LYS 62 Ca -0.04 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1inz h LYS 62 Cb 1.04 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1inz h LYS 62 CO 0.05 -0.35 0.00 0.00 -0.57 0.00 0.00 179.45 178.58 1inz h ARG 63 N -0.55 0.00 0.00 3.15 2.47 -1.66 -1.59 114.38 116.20 1inz h ARG 63 Ca 0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1inz h ARG 63 Cb 0.59 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1inz h ARG 63 CO -0.29 0.00 -0.02 -0.07 0.56 0.00 0.00 179.97 180.14 1inz h LEU 64 N 0.00 0.00 -3.87 3.04 3.38 -0.30 -2.97 115.31 114.59 1inz h LEU 64 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1inz h LEU 64 Cb 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.65 1inz h LEU 64 CO 0.00 0.02 0.31 0.59 0.09 0.00 0.00 178.44 179.45 1inz n ASN 65 N -3.12 6.06 -4.78 -0.43 3.02 -0.60 -4.76 115.26 110.65 1inz n ASN 65 Ca 0.01 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.39 1inz n ASN 65 Cb 0.33 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1inz n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1inz s ASP 66 N -2.32 6.28 0.48 6.41 1.11 -1.13 -5.01 116.67 122.49 1inz s ASP 66 Ca 0.58 3.00 0.02 0.00 0.18 0.00 0.00 52.55 56.33 1inz s ASP 66 Cb 0.47 -2.66 -0.01 0.00 1.07 0.00 0.00 42.92 41.79 1inz s ASP 66 CO 0.02 -0.91 0.06 1.41 1.18 0.00 0.00 175.17 176.92 1inz n HIS 67 N 0.34 0.77 0.00 4.23 8.25 -1.26 -4.78 115.22 122.78 1inz n HIS 67 Ca 0.02 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 54.86 1inz n HIS 67 Cb 0.40 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1inz n GLY 68 N -1.08 1.38 2.25 -1.41 0.00 -1.26 -3.76 105.19 101.31 1inz n GLY 68 Ca -0.15 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1inz n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1inz n LYS 69 N 0.00 0.59 -1.19 1.61 4.81 -1.26 -4.89 118.16 117.83 1inz n LYS 69 Ca 0.00 -3.17 -0.02 0.00 -0.87 0.00 0.00 58.31 54.25 1inz n LYS 69 Cb 0.00 -1.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 1inz n LYS 69 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1inz n ASN 70 N 1.74 -0.14 0.26 3.14 2.85 -1.25 -4.91 115.26 116.96 1inz n ASN 70 Ca 0.23 -1.98 0.13 0.00 -0.11 0.00 0.00 54.58 52.85 1inz n ASN 70 Cb 0.52 0.04 0.69 0.00 1.24 0.00 0.00 39.78 42.27 1inz n ASN 70 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1inz h TRP 71 N 0.41 0.00 -0.87 1.20 5.08 -1.87 -1.73 115.95 118.17 1inz h TRP 71 Ca -0.41 0.00 0.12 0.00 1.08 0.00 0.00 58.89 59.69 1inz h TRP 71 Cb 1.60 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.68 1inz h TRP 71 CO -0.03 0.00 0.49 0.00 -1.28 0.00 0.00 178.44 177.61 1inz h ARG 72 N 0.00 0.73 -0.61 0.12 3.08 -1.97 -0.98 114.38 114.75 1inz h ARG 72 Ca 0.00 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1inz h ARG 72 Cb 0.49 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1inz h ARG 72 CO 0.00 0.48 0.01 0.45 -1.07 0.00 0.00 179.97 179.84 1inz h HIS 73 N 0.75 1.17 0.34 3.04 3.86 -1.59 -3.04 115.15 119.68 1inz h HIS 73 Ca 0.45 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1inz h HIS 73 Cb 0.52 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 1inz h HIS 73 CO -0.06 1.02 -0.38 0.28 0.86 0.00 0.00 177.93 179.65 1inz h VAL 74 N 0.98 0.22 -0.04 2.45 2.07 -1.17 0.18 116.25 120.96 1inz h VAL 74 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 1inz h VAL 74 Cb 0.55 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1inz h VAL 74 CO 0.03 0.00 -0.18 0.22 0.02 0.00 0.00 177.57 177.66 1inz h TYR 75 N -0.76 -0.52 -0.57 1.57 3.20 -1.44 0.33 116.97 118.78 1inz h TYR 75 Ca -0.02 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.03 1inz h TYR 75 Cb 0.69 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 1inz h TYR 75 CO -0.23 -0.18 0.66 0.87 -1.64 0.00 0.00 178.16 177.64 1inz h LYS 76 N -0.19 0.00 0.04 1.82 1.57 -1.47 0.33 116.57 118.66 1inz h LYS 76 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1inz h LYS 76 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1inz h LYS 76 CO -0.14 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.72 1inz h ALA 77 N 1.21 -0.06 -0.50 3.86 0.00 0.18 -2.85 119.26 121.10 1inz h ALA 77 Ca 0.27 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1inz h ALA 77 Cb 1.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1inz h ALA 77 CO -0.00 -0.34 0.36 0.52 0.00 0.00 0.00 179.25 179.79 1inz h MET 78 N -0.45 0.00 0.25 0.00 2.86 0.02 -2.17 114.93 115.44 1inz h MET 78 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1inz h MET 78 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1inz h MET 78 CO 0.01 0.00 -0.12 1.15 1.06 0.00 0.00 176.91 179.01 1inz h THR 79 N 0.00 0.80 0.06 2.22 2.02 -1.36 -2.38 112.91 114.26 1inz h THR 79 Ca 0.24 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1inz h THR 79 Cb 0.96 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1inz h THR 79 CO -0.00 0.14 -0.20 0.25 0.37 0.00 0.00 175.52 176.07 1inz h LEU 80 N -0.71 -0.59 -2.13 2.58 5.85 -1.24 0.02 115.31 119.09 1inz h LEU 80 Ca -0.03 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1inz h LEU 80 Cb 0.49 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1inz h LEU 80 CO 0.06 -0.28 0.30 -0.03 -0.34 0.00 0.00 178.44 178.15 1inz h MET 81 N -0.36 0.00 0.03 1.25 4.05 -1.49 -1.62 114.93 116.79 1inz h MET 81 Ca 0.04 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1inz h MET 81 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1inz h MET 81 CO -0.15 0.00 -0.01 1.49 0.23 0.00 0.00 176.91 178.47 1inz h GLU 82 N 0.00 -0.04 -0.70 0.39 4.81 -0.49 -2.91 114.58 115.64 1inz h GLU 82 Ca 0.12 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.53 1inz h GLU 82 Cb 0.73 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1inz h GLU 82 CO -0.00 0.03 0.49 -0.92 -0.73 0.00 0.00 179.01 177.88 1inz h TYR 83 N -1.01 0.15 0.00 0.92 5.03 -0.97 0.12 116.97 121.21 1inz h TYR 83 Ca -0.00 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.12 1inz h TYR 83 Cb 0.09 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.29 1inz h TYR 83 CO 0.01 0.05 -0.89 -0.07 -1.32 0.00 0.00 178.16 175.95 1inz h LEU 84 N 0.12 0.00 -0.38 2.82 3.38 -1.41 -2.93 115.31 116.92 1inz h LEU 84 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1inz h LEU 84 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1inz h LEU 84 CO -0.04 0.89 0.00 -0.38 0.09 0.00 0.00 178.44 179.00 1inz n ILE 85 N -3.48 1.38 0.00 1.22 5.41 0.02 0.31 119.36 124.22 1inz n ILE 85 Ca -0.00 0.44 0.00 0.00 1.00 0.00 0.00 62.75 64.19 1inz n ILE 85 Cb 0.85 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 1inz n ILE 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1inz n LYS 86 N -1.75 0.00 -0.02 0.38 5.02 -1.17 -4.52 118.16 116.10 1inz n LYS 86 Ca 0.01 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1inz n LYS 86 Cb 0.08 -0.24 0.51 0.00 -0.02 0.00 0.00 35.03 35.36 1inz n LYS 86 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1inz n THR 87 N -2.22 0.06 -0.23 -0.18 5.66 -1.11 -3.89 114.28 112.36 1inz n THR 87 Ca 0.00 -0.26 -0.10 0.00 -3.05 0.00 0.00 64.05 60.64 1inz n THR 87 Cb 0.00 0.39 0.13 0.00 -1.55 0.00 0.00 70.33 69.30 1inz n THR 87 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1inz n GLY 88 N 1.15 3.22 0.40 1.09 0.00 0.15 -4.35 105.19 106.84 1inz n GLY 88 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1inz n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1inz n SER 89 N -0.29 -2.22 0.01 1.61 2.88 -1.24 -3.78 113.62 110.59 1inz n SER 89 Ca 0.31 0.47 0.03 0.00 -1.33 0.00 0.00 58.87 58.34 1inz n SER 89 Cb 1.10 -0.55 0.12 0.00 -0.75 0.00 0.00 64.21 64.12 1inz n SER 89 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1inz n GLU 90 N -1.73 0.01 -0.05 -1.46 1.02 -1.26 -2.26 120.64 114.91 1inz n GLU 90 Ca 0.00 0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 57.45 1inz n GLU 90 Cb 0.11 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1inz n GLU 90 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inz h ARG 91 N 0.00 0.39 -0.77 3.49 3.08 -1.93 -2.13 114.38 116.52 1inz h ARG 91 Ca 0.00 -0.22 0.21 0.00 0.07 0.00 0.00 59.98 60.04 1inz h ARG 91 Cb 0.07 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1inz h ARG 91 CO 0.00 0.79 0.54 0.28 -1.07 0.00 0.00 179.97 180.52 1inz h VAL 92 N 0.01 0.64 0.18 2.04 2.07 -1.54 0.53 116.25 120.18 1inz h VAL 92 Ca 0.02 -0.03 -0.31 0.00 0.82 0.00 0.00 66.70 67.20 1inz h VAL 92 Cb 0.74 0.56 0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1inz h VAL 92 CO 0.04 0.01 -1.43 -1.28 0.02 0.00 0.00 177.57 174.94 1inz h SER 93 N 0.08 0.60 0.05 0.57 0.87 -1.65 -3.16 113.55 110.90 1inz h SER 93 Ca 0.37 -0.68 0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1inz h SER 93 Cb 1.36 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1inz h SER 93 CO -0.04 1.54 -0.16 1.56 -0.53 0.00 0.00 176.83 179.21 1inz h GLN 94 N 0.10 -0.28 -0.78 2.24 1.08 -0.23 -1.38 115.11 115.86 1inz h GLN 94 Ca -0.22 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1inz h GLN 94 Cb 2.07 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 29.51 1inz h GLN 94 CO 0.22 -0.19 0.51 0.37 -0.95 0.00 0.00 178.83 178.80 1inz h GLN 95 N -0.29 0.80 -0.98 1.46 5.75 -1.53 -0.57 115.11 119.75 1inz h GLN 95 Ca 0.04 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1inz h GLN 95 Cb 0.33 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 28.64 1inz h GLN 95 CO -0.12 0.53 0.64 0.00 -2.65 0.00 0.00 178.83 177.22 1inz h LYS 97 N 1.14 0.03 0.00 0.00 3.64 -0.58 -0.80 116.57 119.99 1inz h LYS 97 Ca 0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1inz h LYS 97 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1inz h LYS 97 CO -0.17 0.61 -0.23 0.39 -2.27 0.00 0.00 179.45 177.78 1inz n GLU 98 N -3.84 0.10 -1.27 1.90 1.02 -0.16 -3.77 120.64 114.62 1inz n GLU 98 Ca -0.01 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1inz n GLU 98 Cb 0.59 -1.59 0.11 0.00 -0.02 0.00 0.00 31.44 30.53 1inz n GLU 98 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1inz n ASN 99 N -1.76 1.85 0.31 1.62 4.05 0.10 -4.79 115.26 116.64 1inz n ASN 99 Ca 0.06 -3.09 0.20 0.00 0.45 0.00 0.00 54.58 52.20 1inz n ASN 99 Cb 0.37 -0.43 1.00 0.00 1.23 0.00 0.00 39.78 41.96 1inz n ASN 99 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1inz h MET 100 N 1.28 0.00 0.00 1.20 -0.00 -1.24 -1.28 114.93 114.89 1inz h MET 100 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 1inz h MET 100 Cb 1.39 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.99 1inz h MET 100 CO 0.14 0.01 -0.07 1.88 -0.00 0.00 0.00 176.91 178.87 1inz h TYR 101 N 0.00 0.00 0.18 -0.10 0.05 -1.86 -1.60 116.97 113.63 1inz h TYR 101 Ca -0.00 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.43 1inz h TYR 101 Cb 0.20 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.95 1inz h TYR 101 CO 0.00 0.07 -1.77 0.00 -1.05 0.00 0.00 178.16 175.41 1inz h ALA 102 N 1.93 0.17 -0.10 3.88 0.00 -1.62 -2.73 119.26 120.79 1inz h ALA 102 Ca -0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 54.91 53.56 1inz h ALA 102 Cb 0.85 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1inz h ALA 102 CO 0.01 1.04 -0.67 -0.24 0.00 0.00 0.00 179.25 179.39 1inz h VAL 103 N 0.11 1.33 0.00 0.00 3.04 -1.56 -3.13 116.25 116.03 1inz h VAL 103 Ca -0.35 -1.95 -0.04 0.00 -1.01 0.00 0.00 66.70 63.35 1inz h VAL 103 Cb 2.10 2.17 -0.01 0.00 -2.01 0.00 0.00 31.29 33.54 1inz h VAL 103 CO 0.17 0.60 -0.21 1.56 -1.01 0.00 0.00 177.57 178.68 1inz h GLN 104 N 0.29 0.00 -0.04 4.17 1.08 -1.44 -2.82 115.11 116.36 1inz h GLN 104 Ca -0.06 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1inz h GLN 104 Cb 1.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1inz h GLN 104 CO 0.14 0.21 0.03 0.00 -0.95 0.00 0.00 178.83 178.26 1inz h THR 105 N 0.00 0.76 -0.79 -0.54 1.03 -1.42 -1.53 112.91 110.41 1inz h THR 105 Ca -0.00 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.42 1inz h THR 105 Cb 0.63 0.98 -0.04 0.00 -1.07 0.00 0.00 68.15 68.65 1inz h THR 105 CO 0.03 0.00 0.52 -0.07 -0.01 0.00 0.00 175.52 175.99 1inz h LEU 106 N 0.00 0.88 -1.76 0.00 3.38 -1.62 -1.51 115.31 114.68 1inz h LEU 106 Ca 0.02 -0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.35 1inz h LEU 106 Cb 0.08 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1inz h LEU 106 CO -0.00 0.62 0.91 0.50 0.09 0.00 0.00 178.44 180.56 1inz h LYS 107 N 1.03 0.10 0.00 1.13 3.64 -1.47 0.43 116.57 121.43 1inz h LYS 107 Ca 0.30 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.44 1inz h LYS 107 Cb -0.05 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1inz h LYS 107 CO -0.08 0.06 -1.89 -0.25 -2.27 0.00 0.00 179.45 175.03 1inz n ASP 108 N -4.33 0.45 -4.65 4.20 9.92 -0.62 -4.90 116.55 116.62 1inz n ASP 108 Ca 0.31 0.20 -0.61 0.00 -0.53 0.00 0.00 54.79 54.16 1inz n ASP 108 Cb 1.33 0.66 -0.09 0.00 -0.64 0.00 0.00 41.12 42.39 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1inz n PHE 109 N -2.78 1.83 -3.73 1.24 7.35 0.15 -4.90 117.46 116.62 1inz n PHE 109 Ca -0.18 0.75 -0.09 0.00 -0.76 0.00 0.00 57.45 57.16 1inz n PHE 109 Cb 0.95 -2.37 -0.03 0.00 0.35 0.00 0.00 39.48 38.38 1inz n PHE 109 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1inz s GLN 110 N 3.86 1.43 -0.30 -4.13 -2.07 -1.26 -4.95 119.66 112.24 1inz s GLN 110 Ca 1.04 -0.85 -0.10 0.00 -1.82 0.00 0.00 55.36 53.63 1inz s GLN 110 Cb -1.25 0.54 0.17 0.00 -1.09 0.00 0.00 33.01 31.38 1inz s GLN 110 CO 0.70 -0.62 0.82 -0.47 -1.32 0.00 0.00 175.29 174.41 1inz s TYR 111 N -3.87 -1.04 -0.41 9.60 6.14 -1.26 -5.01 117.35 121.49 1inz s TYR 111 Ca 0.09 1.42 0.05 0.00 0.64 0.00 0.00 57.07 59.27 1inz s TYR 111 Cb -0.02 0.48 0.18 0.00 0.42 0.00 0.00 41.96 43.03 1inz s TYR 111 CO -0.02 -0.55 0.39 0.28 0.64 0.00 0.00 175.55 176.29 1inz n VAL 112 N 5.31 -1.09 0.00 3.14 0.31 -1.26 -3.80 118.33 120.94 1inz n VAL 112 Ca -0.07 -3.42 0.00 0.00 -0.01 0.00 0.00 64.34 60.84 1inz n VAL 112 Cb 0.52 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1inz n VAL 112 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1inz n ASP 113 N 2.59 0.00 -0.16 4.52 8.00 -1.26 -4.43 116.55 125.81 1inz n ASP 113 Ca 0.28 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.76 1inz n ASP 113 Cb 0.49 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.65 1inz n ASP 113 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1inz h ARG 114 N 0.00 0.14 0.00 -1.24 0.11 -2.01 -3.26 114.38 108.11 1inz h ARG 114 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1inz h ARG 114 Cb 0.00 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1inz h ARG 114 CO 0.00 0.09 0.00 -0.25 0.10 0.00 0.00 179.97 179.91 1inz n ASP 115 N -5.21 0.00 0.00 0.08 8.00 -1.26 -4.98 116.55 113.18 1inz n ASP 115 Ca 0.05 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1inz n ASP 115 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1inz n GLY 116 N 0.06 1.12 3.06 0.44 0.00 -1.23 -5.13 105.19 103.51 1inz n GLY 116 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1inz n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1inz s LYS 117 N 0.00 0.67 0.07 1.61 -0.14 -1.26 -5.02 119.74 115.67 1inz s LYS 117 Ca 0.00 -0.56 -0.37 0.00 -1.36 0.00 0.00 55.97 53.68 1inz s LYS 117 Cb 0.00 -0.59 -0.18 0.00 -1.68 0.00 0.00 37.83 35.38 1inz s LYS 117 CO 0.00 0.15 1.21 -3.47 -0.76 0.00 0.00 175.35 172.48 1inz n ASP 118 N 2.15 1.01 0.00 2.83 2.03 -1.26 -4.64 116.55 118.68 1inz n ASP 118 Ca -0.18 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1inz n ASP 118 Cb 0.56 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1inz n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1inz n GLN 119 N 2.08 0.00 -3.51 -0.67 6.02 -1.25 -4.87 117.38 115.18 1inz n GLN 119 Ca 0.19 0.52 -0.16 0.00 -0.01 0.00 0.00 57.00 57.54 1inz n GLN 119 Cb 0.16 -1.12 -0.05 0.00 1.02 0.00 0.00 30.24 30.25 1inz n GLN 119 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1inz s GLY 120 N -0.25 -0.55 -0.17 1.08 0.00 -1.26 -5.06 107.32 101.12 1inz s GLY 120 Ca 0.00 1.27 -0.06 0.00 0.00 0.00 0.00 44.72 45.93 1inz s GLY 120 CO 0.00 0.82 0.17 1.55 0.00 0.00 0.00 173.10 175.64 1inz n VAL 121 N 0.65 1.68 -0.51 1.40 3.14 -1.26 -4.22 118.33 119.21 1inz n VAL 121 Ca -0.17 -0.58 0.40 0.00 -2.96 0.00 0.00 64.34 61.03 1inz n VAL 121 Cb 0.58 -1.68 0.62 0.00 -1.06 0.00 0.00 33.84 32.31 1inz n VAL 121 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1inz n ASN 122 N -3.52 0.00 0.07 6.55 3.02 -1.26 -0.77 115.26 119.35 1inz n ASN 122 Ca -0.37 0.78 -0.03 0.00 -0.03 0.00 0.00 54.58 54.93 1inz n ASN 122 Cb 1.00 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.78 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1inz h VAL 123 N 0.00 0.00 -0.83 2.41 2.07 -1.94 -1.64 116.25 116.32 1inz h VAL 123 Ca 0.71 -0.36 0.23 0.00 0.82 0.00 0.00 66.70 68.09 1inz h VAL 123 Cb 2.99 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 1inz h VAL 123 CO -0.01 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 178.08 1inz h ARG 124 N -0.59 0.10 0.01 1.57 2.43 -1.18 -1.51 114.38 115.21 1inz h ARG 124 Ca -0.02 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1inz h ARG 124 Cb 0.17 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1inz h ARG 124 CO 0.04 0.07 -0.33 0.93 -1.51 0.00 0.00 179.97 179.16 1inz h GLU 125 N 0.10 0.21 -0.25 0.20 5.08 -1.39 -2.20 114.58 116.33 1inz h GLU 125 Ca 0.40 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1inz h GLU 125 Cb 1.44 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 1inz h GLU 125 CO -0.05 0.98 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.68 1inz h LYS 126 N -0.46 0.03 -0.53 2.33 3.11 -0.28 -1.18 116.57 119.60 1inz h LYS 126 Ca -0.04 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.71 1inz h LYS 126 Cb 1.10 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 1inz h LYS 126 CO 0.06 0.02 -0.01 0.00 -2.81 0.00 0.00 179.45 176.71 1inz h ALA 127 N 1.24 0.71 -0.43 5.00 0.00 -1.52 -2.57 119.26 121.69 1inz h ALA 127 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1inz h ALA 127 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1inz h ALA 127 CO -0.24 0.54 0.28 -0.22 0.00 0.00 0.00 179.25 179.62 1inz h LYS 128 N 0.81 0.56 0.00 0.00 3.64 -0.90 -2.02 116.57 118.66 1inz h LYS 128 Ca 0.15 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1inz h LYS 128 Cb 0.55 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1inz h LYS 128 CO 0.03 0.37 -0.75 0.37 -2.27 0.00 0.00 179.45 177.20 1inz h GLN 129 N 0.58 0.00 -0.09 1.90 4.15 -1.01 -2.80 115.11 117.84 1inz h GLN 129 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 1inz h GLN 129 Cb -0.07 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1inz h GLN 129 CO -0.03 0.75 -0.05 1.25 -1.93 0.00 0.00 178.83 178.82 1inz h LEU 130 N 0.00 0.21 -1.16 -2.39 6.46 -0.97 -1.88 115.31 115.57 1inz h LEU 130 Ca -0.01 -0.43 -0.08 0.00 -0.12 0.00 0.00 57.88 57.24 1inz h LEU 130 Cb 1.46 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.33 1inz h LEU 130 CO 0.10 0.59 -0.38 0.58 -0.62 0.00 0.00 178.44 178.71 1inz h VAL 131 N -0.18 1.09 -0.08 1.05 2.07 -1.58 -3.01 116.25 115.61 1inz h VAL 131 Ca 0.02 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 1inz h VAL 131 Cb 0.52 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1inz h VAL 131 CO 0.02 0.38 -0.16 0.00 0.02 0.00 0.00 177.57 177.82 1inz h ALA 132 N 1.62 0.13 -0.42 1.67 0.00 -1.39 -2.43 119.26 118.43 1inz h ALA 132 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1inz h ALA 132 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1inz h ALA 132 CO 0.05 0.04 0.28 1.25 0.00 0.00 0.00 179.25 180.88 1inz h LEU 133 N -0.22 0.40 0.16 0.00 5.85 -1.30 0.27 115.31 120.48 1inz h LEU 133 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1inz h LEU 133 Cb 0.75 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1inz h LEU 133 CO 0.04 0.28 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.27 1inz h LEU 134 N 0.46 -0.18 -3.61 2.25 4.07 -1.48 -3.32 115.31 113.50 1inz h LEU 134 Ca 0.17 0.01 -0.41 0.00 0.08 0.00 0.00 57.88 57.73 1inz h LEU 134 Cb 0.11 0.05 -0.17 0.00 1.08 0.00 0.00 40.66 41.72 1inz h LEU 134 CO -0.04 0.02 0.53 -2.11 -1.08 0.00 0.00 178.44 175.76 1inz n ARG 135 N -3.43 2.02 0.30 1.13 1.85 -0.92 -4.52 116.66 113.09 1inz n ARG 135 Ca -0.03 -1.98 0.20 0.00 -1.00 0.00 0.00 57.85 55.04 1inz n ARG 135 Cb 0.08 -1.78 1.03 0.00 -1.05 0.00 0.00 32.46 30.74 1inz n ARG 135 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1inz h ASP 136 N 1.61 0.00 -0.35 2.89 3.58 -0.56 -3.43 116.42 120.17 1inz h ASP 136 Ca 0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1inz h ASP 136 Cb 0.88 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1inz h ASP 136 CO 0.96 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 176.70 1inz n GLU 137 N -2.95 0.21 -2.76 0.28 1.02 -1.26 -4.72 120.64 110.45 1inz n GLU 137 Ca -0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.10 1inz n GLU 137 Cb 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.51 1inz n GLU 137 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1inz n ASP 138 N -1.04 -4.64 -4.54 1.62 8.00 -1.26 -4.87 116.55 109.81 1inz n ASP 138 Ca 0.00 1.24 -0.34 0.00 0.71 0.00 0.00 54.79 56.40 1inz n ASP 138 Cb 0.00 -4.49 0.11 0.00 -0.02 0.00 0.00 41.12 36.72 1inz n ASP 138 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1inz n ARG 139 N 1.41 0.03 -4.30 -1.24 1.85 -1.26 -5.01 116.66 108.13 1inz n ARG 139 Ca -0.18 0.07 -0.20 0.00 -1.00 0.00 0.00 57.85 56.54 1inz n ARG 139 Cb 0.33 -2.08 -0.16 0.00 -1.05 0.00 0.00 32.46 29.50 1inz n ARG 139 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1inz s LEU 140 N -2.76 1.61 0.88 2.89 1.43 -1.26 -5.13 118.68 116.35 1inz s LEU 140 Ca 0.66 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.46 1inz s LEU 140 Cb -0.28 -0.51 0.04 0.00 0.03 0.00 0.00 46.19 45.47 1inz s LEU 140 CO 0.58 0.02 0.60 0.54 0.23 0.00 0.00 176.35 178.32 1inz n ARG 141 N 3.60 -0.12 -3.61 1.70 1.74 -1.26 -5.02 116.66 113.69 1inz n ARG 141 Ca -0.21 0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 56.80 1inz n ARG 141 Cb 0.53 -1.97 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 1inz n ARG 141 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1inz s GLU 142 N -3.59 0.50 0.01 5.56 2.12 -1.26 -5.17 118.70 116.86 1inz s GLU 142 Ca 0.62 0.34 0.01 0.00 0.36 0.00 0.00 54.97 56.29 1inz s GLU 142 Cb -0.25 0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.36 1inz s GLU 142 CO 0.62 -0.11 -0.03 -2.00 -0.54 0.00 0.00 175.26 173.20 1inz s GLU 143 N -0.43 0.25 0.00 4.30 2.56 -1.26 -5.36 118.70 118.76 1inz s GLU 143 Ca 0.01 -0.33 0.27 0.00 0.00 0.00 0.00 54.97 54.93 1inz s GLU 143 Cb -0.03 -0.08 0.89 0.00 2.00 0.00 0.00 34.13 36.91 1inz s GLU 143 CO -0.03 0.01 1.66 -2.13 -0.56 0.00 0.00 175.26 174.20