#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inz s SER -2 N 0.00 6.66 0.83 1.61 1.04 -1.26 -4.74 113.70 117.84 1inz s SER -2 Ca 0.00 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.01 1inz s SER -2 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1inz s SER -2 CO 0.00 -0.74 0.00 -0.24 0.98 0.00 0.00 173.24 173.24 1inz n SER -1 N 3.27 -0.95 0.00 7.02 2.88 -1.26 -4.90 113.62 119.68 1inz n SER -1 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1inz n SER -1 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1inz n SER -1 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1inz n ARG 0 N 0.00 0.69 0.00 -1.46 1.74 -1.26 -4.98 116.66 111.39 1inz n ARG 0 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1inz n ARG 0 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1inz n ARG 0 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1inz n MET 1 N 0.00 0.00 -3.82 5.56 2.81 -1.26 -4.58 117.12 115.82 1inz n MET 1 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1inz n MET 1 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1inz n MET 1 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1inz s SER 2 N -4.00 -0.15 0.00 7.83 1.04 -1.26 -5.04 113.70 112.12 1inz s SER 2 Ca 0.00 -0.68 0.15 0.00 0.48 0.00 0.00 55.95 55.89 1inz s SER 2 Cb 0.00 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.72 1inz s SER 2 CO 0.00 -1.27 0.72 0.35 0.98 0.00 0.00 173.24 174.03 1inz n THR 3 N -0.51 0.00 -3.80 2.02 -2.24 -1.26 -5.05 114.28 103.44 1inz n THR 3 Ca -0.05 -0.27 0.06 0.00 -2.27 0.00 0.00 64.05 61.51 1inz n THR 3 Cb 0.60 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.92 1inz n THR 3 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1inz n SER 4 N -0.62 -6.55 -4.57 3.42 2.88 -1.26 -4.92 113.62 101.99 1inz n SER 4 Ca 0.05 0.45 -0.29 0.00 -1.33 0.00 0.00 58.87 57.75 1inz n SER 4 Cb 0.28 -1.28 -0.09 0.00 -0.75 0.00 0.00 64.21 62.36 1inz n SER 4 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1inz s SER 5 N -4.90 3.59 0.07 -3.46 0.01 -1.26 -5.15 113.70 102.60 1inz s SER 5 Ca 0.00 -1.53 0.09 0.00 1.31 0.00 0.00 55.95 55.81 1inz s SER 5 Cb 0.00 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1inz s SER 5 CO 0.00 -0.71 -0.24 -0.76 0.41 0.00 0.00 173.24 171.95 1inz s LEU 6 N -3.73 2.22 0.00 2.44 1.02 -1.26 -5.01 118.68 114.35 1inz s LEU 6 Ca 0.22 -0.61 0.00 0.00 0.02 0.00 0.00 54.13 53.76 1inz s LEU 6 Cb 0.05 -1.10 0.00 0.00 0.02 0.00 0.00 46.19 45.17 1inz s LEU 6 CO 0.11 0.18 0.69 0.54 0.02 0.00 0.00 176.35 177.89 1inz n ARG 7 N 1.53 0.00 -1.35 1.70 5.12 -1.26 -5.12 116.66 117.29 1inz n ARG 7 Ca -0.18 -0.53 -0.33 0.00 -1.93 0.00 0.00 57.85 54.89 1inz n ARG 7 Cb 0.53 -0.29 0.10 0.00 -1.16 0.00 0.00 32.46 31.63 1inz n ARG 7 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1inz s ARG 8 N 0.00 2.10 0.07 5.56 0.52 -1.26 -5.02 118.95 120.93 1inz s ARG 8 Ca 0.00 1.56 0.01 0.00 -0.52 0.00 0.00 55.73 56.78 1inz s ARG 8 Cb 0.00 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 1inz s ARG 8 CO 0.00 -1.82 0.18 -0.65 0.02 0.00 0.00 175.30 173.03 1inz s GLN 9 N -4.22 3.29 -0.07 3.54 1.11 -1.26 -5.05 119.66 117.00 1inz s GLN 9 Ca 0.69 -0.52 -0.09 0.00 0.01 0.00 0.00 55.36 55.45 1inz s GLN 9 Cb -0.24 -2.95 -0.03 0.00 -1.01 0.00 0.00 33.01 28.78 1inz s GLN 9 CO 0.48 0.59 -0.17 -1.33 0.01 0.00 0.00 175.29 174.87 1inz n MET 10 N 0.26 0.26 -0.87 2.91 2.81 -1.26 -5.02 117.12 116.21 1inz n MET 10 Ca -0.06 0.10 -0.29 0.00 -1.81 0.00 0.00 57.70 55.65 1inz n MET 10 Cb 0.51 -0.92 0.22 0.00 -0.71 0.00 0.00 33.22 32.33 1inz n MET 10 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1inz s LYS 11 N -2.10 -0.63 -0.37 0.03 -0.14 -1.26 -4.98 119.74 110.29 1inz s LYS 11 Ca -0.14 0.49 -0.14 0.00 -1.36 0.00 0.00 55.97 54.82 1inz s LYS 11 Cb 0.02 -1.62 -0.00 0.00 -1.68 0.00 0.00 37.83 34.55 1inz s LYS 11 CO 0.21 -3.44 0.26 0.54 -0.76 0.00 0.00 175.35 172.17 1inz s ASN 12 N -3.16 6.07 0.00 2.83 2.20 -1.26 -4.91 114.94 116.70 1inz s ASN 12 Ca 0.67 -0.61 0.24 0.00 -0.94 0.00 0.00 52.86 52.23 1inz s ASN 12 Cb -0.19 -2.14 0.34 0.00 -2.00 0.00 0.00 41.25 37.25 1inz s ASN 12 CO 0.60 -0.32 1.35 0.00 -2.94 0.00 0.00 177.10 175.79 1inz n ILE 13 N 5.12 0.13 -2.29 0.54 3.06 -1.26 -4.87 119.36 119.79 1inz n ILE 13 Ca -0.12 -0.53 -0.41 0.00 -2.50 0.00 0.00 62.75 59.18 1inz n ILE 13 Cb 0.49 1.26 -0.03 0.00 0.54 0.00 0.00 39.64 41.90 1inz n ILE 13 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1inz s VAL 14 N -1.87 3.68 -0.04 9.51 1.01 -1.26 -4.96 120.40 126.47 1inz s VAL 14 Ca 0.32 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 1inz s VAL 14 Cb 0.21 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1inz s VAL 14 CO 0.31 -1.03 0.28 -1.00 0.00 0.00 0.00 175.10 173.66 1inz s HIS 15 N 6.62 -0.19 -0.43 5.22 3.76 -1.26 -5.11 115.29 123.91 1inz s HIS 15 Ca 0.58 0.36 0.05 0.00 -0.15 0.00 0.00 55.06 55.90 1inz s HIS 15 Cb -0.13 0.08 0.18 0.00 1.11 0.00 0.00 32.58 33.82 1inz s HIS 15 CO 0.25 -0.30 0.42 0.09 -0.85 0.00 0.00 174.74 174.36 1inz n ASN 16 N 1.82 -0.95 -4.90 1.40 3.02 -1.26 -5.13 115.26 109.26 1inz n ASN 16 Ca -0.19 -2.50 -0.32 0.00 -0.03 0.00 0.00 54.58 51.55 1inz n ASN 16 Cb 0.56 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.53 1inz n ASN 16 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1inz s TYR 17 N 0.10 3.48 0.00 3.10 1.13 -1.26 -4.99 117.35 118.91 1inz s TYR 17 Ca 0.33 0.56 0.00 0.00 -1.41 0.00 0.00 57.07 56.54 1inz s TYR 17 Cb 0.05 -2.00 0.00 0.00 -1.10 0.00 0.00 41.96 38.90 1inz s TYR 17 CO -0.17 0.44 0.00 0.43 -2.51 0.00 0.00 175.55 173.74 1inz n SER 18 N 0.13 3.30 -1.11 -0.18 7.64 -1.26 -5.00 113.62 117.14 1inz n SER 18 Ca -0.03 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 1inz n SER 18 Cb 0.52 0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.97 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1inz n GLU 19 N -1.56 -1.53 0.00 1.43 1.02 -1.26 -4.82 120.64 113.91 1inz n GLU 19 Ca 0.00 0.86 -0.13 0.00 -0.02 0.00 0.00 57.16 57.87 1inz n GLU 19 Cb 0.34 -5.12 -0.09 0.00 -0.02 0.00 0.00 31.44 26.54 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 0.28 -0.01 -1.05 0.62 0.00 -1.94 -2.80 119.26 114.36 1inz h ALA 20 Ca -0.26 -0.20 0.30 0.00 0.00 0.00 0.00 54.91 54.76 1inz h ALA 20 Cb 1.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1inz h ALA 20 CO 0.38 -0.31 0.77 1.05 0.00 0.00 0.00 179.25 181.14 1inz h GLU 21 N -0.40 0.00 -0.07 0.00 4.11 -1.87 0.31 114.58 116.65 1inz h GLU 21 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 1inz h GLU 21 Cb 0.40 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.66 1inz h GLU 21 CO 0.00 0.00 -0.92 0.82 0.07 0.00 0.00 179.01 178.98 1inz h ILE 22 N 0.00 1.28 0.00 -1.06 2.04 -1.88 -2.65 117.51 115.24 1inz h ILE 22 Ca 0.50 -2.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 1inz h ILE 22 Cb 2.03 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 40.29 1inz h ILE 22 CO -0.01 0.66 -0.21 0.11 0.00 0.00 0.00 178.15 178.70 1inz h LYS 23 N 0.47 0.00 0.09 2.37 1.57 -0.27 -2.94 116.57 117.86 1inz h LYS 23 Ca -0.09 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.43 1inz h LYS 23 Cb 1.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.87 1inz h LYS 23 CO 0.18 0.21 -1.17 0.28 -0.57 0.00 0.00 179.45 178.39 1inz h VAL 24 N 0.00 1.53 -0.55 0.50 2.07 -1.15 -2.47 116.25 116.18 1inz h VAL 24 Ca -0.00 -3.06 -0.11 0.00 0.82 0.00 0.00 66.70 64.35 1inz h VAL 24 Cb 0.70 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 1inz h VAL 24 CO 0.03 0.89 -0.07 -0.09 0.02 0.00 0.00 177.57 178.35 1inz h ARG 25 N 0.07 1.02 -0.06 1.57 2.43 -1.30 -2.78 114.38 115.33 1inz h ARG 25 Ca -0.11 -0.36 -0.14 0.00 -0.81 0.00 0.00 59.98 58.56 1inz h ARG 25 Cb 1.89 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.38 1inz h ARG 25 CO 0.19 1.05 -0.51 0.93 -1.51 0.00 0.00 179.97 180.12 1inz h GLU 26 N 0.90 0.46 -0.02 0.20 3.07 -1.61 -2.75 114.58 114.83 1inz h GLU 26 Ca 0.15 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1inz h GLU 26 Cb 0.64 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1inz h GLU 26 CO 0.04 1.05 0.15 0.00 -1.40 0.00 0.00 179.01 178.85 1inz h ALA 27 N 0.42 1.21 -3.00 3.43 0.00 -1.42 -3.32 119.26 116.58 1inz h ALA 27 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1inz h ALA 27 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1inz h ALA 27 CO 0.10 -0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.44 1inz n THR 28 N -3.08 0.00 -2.03 0.00 -2.24 -1.05 -4.68 114.28 101.20 1inz n THR 28 Ca -0.02 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 1inz n THR 28 Cb 0.22 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 1inz n THR 28 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1inz s SER 29 N -1.00 5.23 -0.35 3.42 0.15 -1.05 -4.58 113.70 115.52 1inz s SER 29 Ca 0.00 0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.94 1inz s SER 29 Cb 0.00 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.37 1inz s SER 29 CO 0.00 -2.44 1.67 -3.20 1.20 0.00 0.00 173.24 170.47 1inz n ASN 30 N 12.99 3.18 -0.13 5.45 5.15 -1.26 -4.67 115.26 135.98 1inz n ASN 30 Ca 0.23 -3.65 -0.04 0.00 -0.60 0.00 0.00 54.58 50.52 1inz n ASN 30 Cb 0.51 -0.72 0.04 0.00 -0.53 0.00 0.00 39.78 39.08 1inz n ASN 30 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1inz h ASP 31 N 1.13 -0.05 -2.66 1.20 1.82 -1.93 -3.42 116.42 112.52 1inz h ASP 31 Ca 0.39 0.08 -0.38 0.00 -0.39 0.00 0.00 57.03 56.73 1inz h ASP 31 Cb 2.19 0.12 0.20 0.00 0.68 0.00 0.00 39.33 42.53 1inz h ASP 31 CO 0.70 0.01 -0.35 -2.65 -1.61 0.00 0.00 179.24 175.33 1inz n PRO 32 N -5.13 -3.08 -2.69 0.28 -0.02 -1.26 -5.03 135.00 118.06 1inz n PRO 32 Ca 0.03 -0.90 -0.16 0.00 -2.02 0.00 0.00 63.50 60.46 1inz n PRO 32 Cb 0.21 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1inz n PRO 32 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1inz n TRP 33 N -5.06 -2.10 0.00 6.00 7.02 -1.26 -5.11 117.44 116.94 1inz n TRP 33 Ca 0.06 -1.67 0.00 0.00 -1.02 0.00 0.00 57.50 54.87 1inz n TRP 33 Cb 0.54 -0.41 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1inz n GLY 34 N -0.39 4.47 3.53 6.99 0.00 -1.26 -5.13 105.19 113.41 1inz n GLY 34 Ca 0.10 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1inz n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1inz s PRO 35 N -4.07 -1.58 0.08 1.61 0.04 -1.26 -5.07 135.00 124.74 1inz s PRO 35 Ca 0.00 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.10 1inz s PRO 35 Cb 0.00 -1.55 -0.03 0.00 0.04 0.00 0.00 34.50 32.96 1inz s PRO 35 CO 0.00 -3.96 -0.12 -1.12 0.04 0.00 0.00 177.00 171.84 1inz s SER 36 N -3.67 1.51 0.31 6.66 0.01 -1.26 -5.06 113.70 112.20 1inz s SER 36 Ca 0.70 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1inz s SER 36 Cb -0.11 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1inz s SER 36 CO 0.57 -0.16 0.00 -0.24 0.41 0.00 0.00 173.24 173.82 1inz n SER 37 N 1.02 -0.81 0.00 2.44 2.88 -1.26 -5.06 113.62 112.82 1inz n SER 37 Ca -0.19 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1inz n SER 37 Cb 0.56 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1inz n SER 37 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1inz n SER 38 N -3.42 0.00 -0.03 -3.46 2.88 -1.26 -5.02 113.62 103.31 1inz n SER 38 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1inz n SER 38 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 1inz n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1inz h LEU 39 N 0.00 0.56 -0.60 2.46 5.85 -1.97 -2.84 115.31 118.77 1inz h LEU 39 Ca 0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1inz h LEU 39 Cb 0.00 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1inz h LEU 39 CO 0.00 0.67 0.25 0.24 -0.34 0.00 0.00 178.44 179.26 1inz h MET 40 N 0.55 0.89 -0.32 1.25 2.86 -1.95 -1.75 114.93 116.47 1inz h MET 40 Ca 0.11 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1inz h MET 40 Cb 0.44 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1inz h MET 40 CO 0.02 0.76 0.12 1.03 1.06 0.00 0.00 176.91 179.90 1inz h SER 41 N 0.83 0.39 -0.10 1.22 0.87 -1.92 -2.20 113.55 112.65 1inz h SER 41 Ca 0.20 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 1inz h SER 41 Cb 0.19 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1inz h SER 41 CO -0.02 0.36 -0.43 -0.33 -0.53 0.00 0.00 176.83 175.89 1inz h GLU 42 N 0.44 0.47 -0.17 2.24 5.08 -1.30 -2.59 114.58 118.76 1inz h GLU 42 Ca 0.11 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1inz h GLU 42 Cb 0.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1inz h GLU 42 CO -0.01 1.00 0.11 0.82 -1.00 0.00 0.00 179.01 179.93 1inz h ILE 43 N 0.05 1.02 0.11 3.13 2.04 -0.98 -2.24 117.51 120.64 1inz h ILE 43 Ca -0.02 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1inz h ILE 43 Cb 1.07 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1inz h ILE 43 CO 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 178.15 178.22 1inz h ALA 44 N 1.90 -0.14 -0.20 1.87 0.00 -1.34 -2.59 119.26 118.76 1inz h ALA 44 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1inz h ALA 44 Cb 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1inz h ALA 44 CO -0.01 -0.27 0.47 0.22 0.00 0.00 0.00 179.25 179.66 1inz h ASP 45 N -0.77 0.00 0.11 0.00 3.58 -1.12 0.37 116.42 118.58 1inz h ASP 45 Ca -0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.16 1inz h ASP 45 Cb 0.56 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.64 1inz h ASP 45 CO 0.02 0.00 -1.16 -0.07 -2.88 0.00 0.00 179.24 175.15 1inz h LEU 46 N 0.00 0.84 -0.86 2.28 3.38 -1.13 -3.26 115.31 116.55 1inz h LEU 46 Ca 0.10 -0.82 0.19 0.00 0.09 0.00 0.00 57.88 57.43 1inz h LEU 46 Cb 1.03 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 1inz h LEU 46 CO -0.00 1.57 0.39 0.71 0.09 0.00 0.00 178.44 181.20 1inz h THR 47 N 0.22 0.57 -0.87 0.22 1.35 0.12 0.16 112.91 114.68 1inz h THR 47 Ca -0.18 -0.16 0.23 0.00 -0.55 0.00 0.00 66.41 65.75 1inz h THR 47 Cb 1.84 0.06 -0.15 0.00 -1.73 0.00 0.00 68.15 68.18 1inz h THR 47 CO 0.22 0.08 0.16 1.88 -0.25 0.00 0.00 175.52 177.62 1inz h TYR 48 N 0.47 0.22 -1.12 4.73 0.05 -1.58 -3.27 116.97 116.46 1inz h TYR 48 Ca 0.51 0.05 -0.39 0.00 0.05 0.00 0.00 58.73 58.96 1inz h TYR 48 Cb 0.88 0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.61 1inz h TYR 48 CO -0.13 -0.25 0.98 1.21 -1.05 0.00 0.00 178.16 178.91 1inz s ASN 49 N -5.09 5.38 0.00 3.88 3.84 0.54 -4.84 114.94 118.66 1inz s ASN 49 Ca -0.12 -0.54 0.00 0.00 0.21 0.00 0.00 52.86 52.41 1inz s ASN 49 Cb 0.26 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 1inz s ASN 49 CO 0.77 -2.47 0.00 1.33 -2.79 0.00 0.00 177.10 173.94 1inz n VAL 50 N 7.54 0.00 0.18 -5.21 0.24 -1.23 0.76 118.33 120.60 1inz n VAL 50 Ca 0.33 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.56 1inz n VAL 50 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.88 3.34 2.07 -1.88 -2.96 116.25 115.95 1inz h VAL 51 Ca 0.00 -0.09 0.27 0.00 0.82 0.00 0.00 66.70 67.70 1inz h VAL 51 Cb 0.00 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.61 1inz h VAL 51 CO 0.00 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.72 1inz n ALA 52 N -2.30 0.56 0.23 1.67 0.00 0.23 0.15 120.51 121.04 1inz n ALA 52 Ca -0.06 0.93 -0.15 0.00 0.00 0.00 0.00 53.44 54.16 1inz n ALA 52 Cb 0.18 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.48 -0.04 0.00 3.57 -1.49 0.16 116.94 118.66 1inz h PHE 53 Ca 0.58 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.08 1inz h PHE 53 Cb 1.30 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 1inz h PHE 53 CO -0.34 -0.29 0.18 1.03 -2.23 0.00 0.00 178.31 176.65 1inz h SER 54 N -0.53 0.00 0.55 0.41 0.87 -0.13 0.83 113.55 115.55 1inz h SER 54 Ca -0.05 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1inz h SER 54 Cb 0.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1inz h SER 54 CO 0.09 0.00 -1.52 -0.62 -0.53 0.00 0.00 176.83 174.25 1inz n GLU 55 N -3.14 0.63 -0.06 2.24 -0.58 -0.62 -3.58 120.64 115.54 1inz n GLU 55 Ca -0.02 0.05 -0.07 0.00 -0.42 0.00 0.00 57.16 56.71 1inz n GLU 55 Cb 0.25 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 1inz n GLU 55 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1inz h ILE 56 N 0.00 0.67 -0.67 -3.67 2.04 0.17 -3.10 117.51 112.94 1inz h ILE 56 Ca -0.09 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.27 1inz h ILE 56 Cb 1.27 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1inz h ILE 56 CO 0.02 0.23 0.44 0.24 0.00 0.00 0.00 178.15 179.07 1inz h MET 57 N -1.00 0.76 0.46 2.37 2.86 -1.56 -0.87 114.93 117.95 1inz h MET 57 Ca -0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1inz h MET 57 Cb 0.48 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1inz h MET 57 CO -0.01 0.50 -0.27 0.77 1.06 0.00 0.00 176.91 178.96 1inz h SER 58 N 0.78 -0.66 0.25 1.22 0.02 -1.68 -0.15 113.55 113.33 1inz h SER 58 Ca 0.27 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1inz h SER 58 Cb 0.11 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1inz h SER 58 CO -0.08 -0.43 -0.08 0.24 -1.14 0.00 0.00 176.83 175.34 1inz h MET 59 N -0.69 0.00 -0.01 3.45 2.07 -1.38 -1.57 114.93 116.80 1inz h MET 59 Ca -0.06 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.42 1inz h MET 59 Cb 0.56 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 1inz h MET 59 CO 0.07 0.08 -0.70 0.82 1.07 0.00 0.00 176.91 178.26 1inz h ILE 60 N 0.00 1.47 0.13 -1.22 2.04 -0.23 -3.06 117.51 116.64 1inz h ILE 60 Ca -0.00 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.54 1inz h ILE 60 Cb 0.23 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1inz h ILE 60 CO 0.01 0.67 -0.06 -0.50 0.00 0.00 0.00 178.15 178.27 1inz h TRP 61 N 0.05 -0.16 -0.72 1.37 -0.00 -0.05 -1.96 115.95 114.48 1inz h TRP 61 Ca -0.01 -0.00 0.14 0.00 -0.00 0.00 0.00 58.89 59.01 1inz h TRP 61 Cb 1.23 0.05 -0.14 0.00 -0.00 0.00 0.00 29.16 30.31 1inz h TRP 61 CO 0.01 0.15 -0.22 -0.22 -0.00 0.00 0.00 178.44 178.16 1inz h LYS 62 N -0.99 -0.03 -0.09 0.49 1.63 -1.57 0.49 116.57 116.50 1inz h LYS 62 Ca -0.02 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 1inz h LYS 62 Cb 0.38 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1inz h LYS 62 CO 0.03 -0.02 -0.38 0.00 -3.45 0.00 0.00 179.45 175.63 1inz h ARG 63 N -0.03 0.19 0.00 1.90 2.47 -1.64 -2.59 114.38 114.67 1inz h ARG 63 Ca 0.33 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.93 1inz h ARG 63 Cb 0.55 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1inz h ARG 63 CO -0.76 0.55 -0.18 -0.07 0.56 0.00 0.00 179.97 180.08 1inz h LEU 64 N 0.16 0.00 -3.97 3.04 3.38 0.72 -2.43 115.31 116.22 1inz h LEU 64 Ca 0.02 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.38 1inz h LEU 64 Cb 0.76 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.21 1inz h LEU 64 CO 0.06 0.18 0.72 0.59 0.09 0.00 0.00 178.44 180.07 1inz n ASN 65 N -3.86 6.19 -3.70 -0.43 5.03 -0.27 -4.75 115.26 113.48 1inz n ASN 65 Ca -0.02 -3.73 -0.30 0.00 0.87 0.00 0.00 54.58 51.40 1inz n ASN 65 Cb 0.27 -0.90 0.26 0.00 -1.02 0.00 0.00 39.78 38.39 1inz n ASN 65 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1inz s ASP 66 N -1.75 0.24 0.00 6.41 2.15 -0.92 -5.03 116.67 117.77 1inz s ASP 66 Ca 0.61 0.72 0.00 0.00 0.43 0.00 0.00 52.55 54.31 1inz s ASP 66 Cb 0.49 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.10 1inz s ASP 66 CO 0.03 -4.55 0.00 0.00 -0.17 0.00 0.00 175.17 170.48 1inz n HIS 67 N -5.06 0.00 0.00 -5.34 1.44 -1.26 -4.94 115.22 100.05 1inz n HIS 67 Ca 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 1inz n HIS 67 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1inz n GLY 68 N -0.06 0.19 0.00 -1.39 0.00 -1.26 -4.03 105.19 98.65 1inz n GLY 68 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1inz n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1inz n LYS 69 N 0.00 0.00 -3.54 1.61 4.76 -1.26 -4.89 118.16 114.84 1inz n LYS 69 Ca 0.00 0.11 -0.17 0.00 -2.87 0.00 0.00 58.31 55.38 1inz n LYS 69 Cb 0.00 -0.64 -0.06 0.00 -1.84 0.00 0.00 35.03 32.49 1inz n LYS 69 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1inz s ASN 70 N -2.82 -0.63 0.00 4.39 -0.87 -1.26 -5.01 114.94 108.75 1inz s ASN 70 Ca 0.00 0.71 0.10 0.00 -1.57 0.00 0.00 52.86 52.10 1inz s ASN 70 Cb 0.00 0.57 0.55 0.00 -0.02 0.00 0.00 41.25 42.35 1inz s ASN 70 CO 0.00 -0.58 1.36 -2.67 -2.57 0.00 0.00 177.10 172.64 1inz n TRP 71 N 1.03 0.01 -0.30 2.20 4.27 -1.26 -3.96 117.44 119.43 1inz n TRP 71 Ca -0.19 -0.01 0.14 0.00 -3.89 0.00 0.00 57.50 53.55 1inz n TRP 71 Cb 0.57 0.00 0.38 0.00 -1.36 0.00 0.00 31.31 30.90 1inz n TRP 71 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1inz h ARG 72 N 0.08 0.65 -0.10 -2.67 3.08 -1.97 0.18 114.38 113.63 1inz h ARG 72 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1inz h ARG 72 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1inz h ARG 72 CO 0.00 0.43 -0.36 0.45 -1.07 0.00 0.00 179.97 179.42 1inz h HIS 73 N 0.66 0.24 0.73 3.04 3.86 -1.87 -3.00 115.15 118.81 1inz h HIS 73 Ca 0.51 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.62 1inz h HIS 73 Cb 0.89 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.32 1inz h HIS 73 CO -0.00 0.55 -0.35 0.28 0.86 0.00 0.00 177.93 179.26 1inz h VAL 74 N 0.18 0.07 -0.53 2.45 2.07 -0.68 -0.36 116.25 119.46 1inz h VAL 74 Ca 0.02 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1inz h VAL 74 Cb 0.73 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.48 1inz h VAL 74 CO 0.05 0.01 -0.30 0.22 0.02 0.00 0.00 177.57 177.58 1inz h TYR 75 N -1.22 -0.80 -0.36 1.57 3.20 -1.51 0.58 116.97 118.43 1inz h TYR 75 Ca -0.10 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1inz h TYR 75 Cb 0.77 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 1inz h TYR 75 CO 0.00 -0.36 0.24 0.87 -1.64 0.00 0.00 178.16 177.27 1inz h LYS 76 N -0.16 0.39 0.00 1.82 1.79 -1.52 0.03 116.57 118.92 1inz h LYS 76 Ca 0.22 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.61 1inz h LYS 76 Cb 0.53 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1inz h LYS 76 CO -0.62 0.26 -0.30 0.00 -1.08 0.00 0.00 179.45 177.71 1inz h ALA 77 N 1.79 1.40 -0.09 3.86 0.00 0.19 -2.44 119.26 123.97 1inz h ALA 77 Ca 0.14 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1inz h ALA 77 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1inz h ALA 77 CO -0.03 0.37 -0.54 0.52 0.00 0.00 0.00 179.25 179.57 1inz h MET 78 N 0.00 0.26 -0.36 0.00 2.86 0.64 -2.47 114.93 115.86 1inz h MET 78 Ca -0.00 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 1inz h MET 78 Cb 0.56 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1inz h MET 78 CO 0.04 0.74 -0.24 1.15 1.06 0.00 0.00 176.91 179.65 1inz h THR 79 N 0.20 1.27 -0.14 2.22 2.02 -1.25 -0.49 112.91 116.74 1inz h THR 79 Ca 0.00 -1.35 -0.20 0.00 0.77 0.00 0.00 66.41 65.63 1inz h THR 79 Cb 1.02 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1inz h THR 79 CO 0.09 0.45 -0.72 0.25 0.37 0.00 0.00 175.52 175.95 1inz h LEU 80 N 0.63 0.76 -0.74 2.58 5.85 -1.43 -1.47 115.31 121.49 1inz h LEU 80 Ca 0.09 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.23 1inz h LEU 80 Cb 0.74 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1inz h LEU 80 CO 0.06 1.25 -0.48 -0.03 -0.34 0.00 0.00 178.44 178.90 1inz h MET 81 N 0.45 0.00 0.20 1.25 4.05 -1.32 -1.80 114.93 117.75 1inz h MET 81 Ca -0.03 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.08 1inz h MET 81 Cb 1.32 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.15 1inz h MET 81 CO 0.14 0.48 -1.38 1.49 0.23 0.00 0.00 176.91 177.87 1inz h GLU 82 N 0.00 0.42 -0.08 0.39 4.81 -1.00 -2.47 114.58 116.65 1inz h GLU 82 Ca -0.00 -0.72 -0.08 0.00 -0.13 0.00 0.00 59.36 58.42 1inz h GLU 82 Cb 1.05 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1inz h GLU 82 CO 0.06 1.34 -0.28 -0.92 -0.73 0.00 0.00 179.01 178.49 1inz h TYR 83 N 0.11 0.43 -0.38 0.92 5.03 -1.24 -3.23 116.97 118.62 1inz h TYR 83 Ca -0.20 -0.18 -0.07 0.00 2.58 0.00 0.00 58.73 60.86 1inz h TYR 83 Cb 2.08 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 40.28 1inz h TYR 83 CO 0.10 0.89 -0.03 -0.07 -1.32 0.00 0.00 178.16 177.73 1inz h LEU 84 N -0.15 0.69 -1.87 2.82 3.38 -1.45 -2.16 115.31 116.56 1inz h LEU 84 Ca -0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1inz h LEU 84 Cb 0.91 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1inz h LEU 84 CO 0.06 0.85 0.32 0.40 0.09 0.00 0.00 178.44 180.16 1inz h ILE 85 N 0.51 0.00 0.00 1.22 2.04 -1.51 0.92 117.51 120.69 1inz h ILE 85 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1inz h ILE 85 Cb 0.52 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1inz h ILE 85 CO 0.03 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.47 1inz n LYS 86 N -2.78 0.00 0.16 2.37 5.02 -0.86 -4.40 118.16 117.67 1inz n LYS 86 Ca -0.02 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1inz n LYS 86 Cb 0.36 -0.13 0.06 0.00 -0.02 0.00 0.00 35.03 35.31 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1inz h THR 87 N 0.00 0.62 0.00 -0.18 1.03 -1.47 -3.36 112.91 109.54 1inz h THR 87 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 66.41 64.52 1inz h THR 87 Cb 0.00 2.30 0.00 0.00 -1.07 0.00 0.00 68.15 69.38 1inz h THR 87 CO 0.00 0.35 0.00 0.61 -0.01 0.00 0.00 175.52 176.47 1inz n GLY 88 N 1.19 -3.06 0.00 2.99 0.00 0.32 -4.82 105.19 101.81 1inz n GLY 88 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1inz n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1inz n SER 89 N -2.59 0.00 0.21 1.61 7.64 -1.10 -4.25 113.62 115.14 1inz n SER 89 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1inz n SER 89 Cb 0.00 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 63.94 1inz n SER 89 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1inz h GLU 90 N 0.00 0.00 0.22 1.43 5.08 -1.90 -1.76 114.58 117.66 1inz h GLU 90 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1inz h GLU 90 Cb 0.00 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 1inz h GLU 90 CO 0.00 0.00 -1.33 0.00 -1.00 0.00 0.00 179.01 176.68 1inz h ARG 91 N 0.00 0.50 -0.86 2.33 2.47 -1.96 -2.88 114.38 113.99 1inz h ARG 91 Ca 0.00 -0.84 0.05 0.00 -1.26 0.00 0.00 59.98 57.93 1inz h ARG 91 Cb 0.03 0.31 -0.05 0.00 -1.65 0.00 0.00 29.97 28.61 1inz h ARG 91 CO 0.00 1.40 0.56 0.28 0.56 0.00 0.00 179.97 182.77 1inz h VAL 92 N 0.05 1.09 -0.20 2.04 2.07 -1.63 -1.58 116.25 118.08 1inz h VAL 92 Ca -0.23 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 1inz h VAL 92 Cb 2.04 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1inz h VAL 92 CO 0.25 0.18 -0.42 0.28 0.02 0.00 0.00 177.57 177.88 1inz h SER 93 N 1.00 0.72 -0.99 0.57 0.02 -1.62 -2.46 113.55 110.79 1inz h SER 93 Ca 0.36 -0.55 0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1inz h SER 93 Cb 0.15 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.41 1inz h SER 93 CO -0.12 1.14 0.63 1.56 -1.14 0.00 0.00 176.83 178.90 1inz h GLN 94 N 0.33 1.04 -0.37 3.45 1.08 -1.15 -0.49 115.11 119.01 1inz h GLN 94 Ca 0.01 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.01 1inz h GLN 94 Cb 1.02 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 1inz h GLN 94 CO 0.09 0.69 -0.30 0.37 -0.95 0.00 0.00 178.83 178.74 1inz h GLN 95 N 1.08 0.80 -0.16 1.46 4.15 -1.24 -1.50 115.11 119.69 1inz h GLN 95 Ca 0.46 -0.36 0.05 0.00 0.77 0.00 0.00 58.65 59.56 1inz h GLN 95 Cb 0.32 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1inz h GLN 95 CO -0.21 0.99 0.13 0.00 -1.93 0.00 0.00 178.83 177.81 1inz h LYS 97 N 0.00 0.00 0.00 0.00 3.64 -0.74 -3.18 116.57 116.29 1inz h LYS 97 Ca 0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1inz h LYS 97 Cb 0.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1inz h LYS 97 CO -0.00 0.06 -0.45 1.05 -2.27 0.00 0.00 179.45 177.84 1inz h GLU 98 N 0.00 0.00 -1.00 1.90 4.11 0.21 -3.34 114.58 116.46 1inz h GLU 98 Ca -0.02 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.91 1inz h GLU 98 Cb 1.09 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.92 1inz h GLU 98 CO 0.01 0.00 -0.87 0.09 0.07 0.00 0.00 179.01 178.31 1inz n ASN 99 N -2.91 4.05 -0.03 3.06 4.13 -0.26 -4.82 115.26 118.48 1inz n ASN 99 Ca 0.02 -3.41 0.01 0.00 1.68 0.00 0.00 54.58 52.89 1inz n ASN 99 Cb 0.54 -0.42 0.33 0.00 -1.54 0.00 0.00 39.78 38.69 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1inz h MET 100 N 2.46 0.59 -0.00 3.52 4.05 -1.68 -1.09 114.93 122.78 1inz h MET 100 Ca 0.23 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1inz h MET 100 Cb 1.25 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1inz h MET 100 CO 0.69 0.50 0.00 1.88 0.23 0.00 0.00 176.91 180.21 1inz h TYR 101 N 0.59 0.00 0.17 1.39 0.05 -1.91 -0.73 116.97 116.54 1inz h TYR 101 Ca 0.14 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.65 1inz h TYR 101 Cb 0.14 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.90 1inz h TYR 101 CO 0.01 0.00 -1.30 0.00 -1.05 0.00 0.00 178.16 175.82 1inz h ALA 102 N 1.99 -0.00 0.00 3.88 0.00 -1.59 -2.10 119.26 121.44 1inz h ALA 102 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1inz h ALA 102 Cb 0.01 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1inz h ALA 102 CO -0.00 0.68 0.00 0.28 0.00 0.00 0.00 179.25 180.21 1inz h VAL 103 N -0.14 0.00 0.00 0.00 2.07 -1.32 -3.20 116.25 113.67 1inz h VAL 103 Ca -0.25 -0.66 -0.26 0.00 0.82 0.00 0.00 66.70 66.35 1inz h VAL 103 Cb 1.89 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 33.25 1inz h VAL 103 CO 0.17 0.00 -1.95 0.00 0.02 0.00 0.00 177.57 175.81 1inz n GLN 104 N -2.91 0.66 0.15 1.57 1.13 -0.34 -4.04 117.38 113.59 1inz n GLN 104 Ca 0.03 0.10 0.11 0.00 -1.94 0.00 0.00 57.00 55.30 1inz n GLN 104 Cb 0.40 -1.65 0.53 0.00 0.11 0.00 0.00 30.24 29.63 1inz n GLN 104 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1inz n THR 105 N -2.79 0.95 0.02 5.09 5.66 -0.79 -2.10 114.28 120.31 1inz n THR 105 Ca -0.20 0.48 -0.01 0.00 -3.05 0.00 0.00 64.05 61.27 1inz n THR 105 Cb 0.99 -1.45 0.27 0.00 -1.55 0.00 0.00 70.33 68.59 1inz n THR 105 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1inz h LEU 106 N 0.00 0.46 -0.79 1.09 3.38 -1.70 -1.89 115.31 115.85 1inz h LEU 106 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1inz h LEU 106 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1inz h LEU 106 CO 0.00 0.60 0.00 2.29 0.09 0.00 0.00 178.44 181.42 1inz n LYS 107 N -4.22 0.12 0.01 1.13 -0.00 -0.89 -1.41 118.16 112.90 1inz n LYS 107 Ca 0.01 0.50 0.12 0.00 -0.00 0.00 0.00 58.31 58.93 1inz n LYS 107 Cb 0.31 -1.80 0.21 0.00 -0.00 0.00 0.00 35.03 33.74 1inz n LYS 107 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1inz n ASP 108 N -2.04 0.55 -3.85 -5.58 -0.08 -0.71 -4.96 116.55 99.89 1inz n ASP 108 Ca 0.01 -0.21 -0.39 0.00 -1.51 0.00 0.00 54.79 52.69 1inz n ASP 108 Cb 0.11 0.30 -0.01 0.00 2.34 0.00 0.00 41.12 43.86 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1inz n PHE 109 N -1.63 -1.44 -3.76 -0.67 -0.00 -0.50 -4.97 117.46 104.49 1inz n PHE 109 Ca 0.05 0.65 -0.19 0.00 -0.00 0.00 0.00 57.45 57.95 1inz n PHE 109 Cb 0.36 -1.63 -0.17 0.00 -0.00 0.00 0.00 39.48 38.04 1inz n PHE 109 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1inz s GLN 110 N -0.89 0.17 -0.29 -4.13 -0.21 -1.26 -4.99 119.66 108.06 1inz s GLN 110 Ca 0.54 0.23 -0.21 0.00 0.02 0.00 0.00 55.36 55.94 1inz s GLN 110 Cb -0.65 -0.59 0.18 0.00 1.00 0.00 0.00 33.01 32.96 1inz s GLN 110 CO 0.54 -0.26 1.25 -0.47 -2.12 0.00 0.00 175.29 174.23 1inz s TYR 111 N 1.75 -0.20 0.00 0.91 6.14 -1.26 -4.97 117.35 119.72 1inz s TYR 111 Ca 0.00 0.44 0.00 0.00 0.64 0.00 0.00 57.07 58.15 1inz s TYR 111 Cb -0.13 0.29 0.00 0.00 0.42 0.00 0.00 41.96 42.55 1inz s TYR 111 CO -0.03 -0.10 0.22 0.28 0.64 0.00 0.00 175.55 176.56 1inz n VAL 112 N 2.52 0.02 -2.35 3.14 0.31 -1.26 -3.82 118.33 116.88 1inz n VAL 112 Ca -0.14 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1inz n VAL 112 Cb 0.57 1.57 0.00 0.00 -0.91 0.00 0.00 33.84 35.06 1inz n VAL 112 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1inz n ASP 113 N -0.01 0.00 -0.12 4.52 2.03 -1.26 -2.65 116.55 119.06 1inz n ASP 113 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1inz n ASP 113 Cb 0.16 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.45 1inz n ASP 113 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1inz n ARG 114 N 5.34 0.62 -0.50 -0.67 1.85 -1.26 -4.26 116.66 117.78 1inz n ARG 114 Ca 0.00 0.27 0.43 0.00 -1.00 0.00 0.00 57.85 57.55 1inz n ARG 114 Cb 0.00 -1.56 0.66 0.00 -1.05 0.00 0.00 32.46 30.51 1inz n ARG 114 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1inz h ASP 115 N -0.59 0.00 -4.42 2.89 1.82 -2.05 -3.46 116.42 110.62 1inz h ASP 115 Ca -0.59 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 1inz h ASP 115 Cb 1.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.71 1inz h ASP 115 CO -0.24 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.00 1inz n GLY 116 N -1.84 -3.11 1.50 -0.78 0.00 -1.09 -5.09 105.19 94.79 1inz n GLY 116 Ca 0.35 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1inz n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1inz n LYS 117 N -0.55 -4.32 -2.38 1.61 4.81 -1.26 -4.82 118.16 111.25 1inz n LYS 117 Ca 0.00 3.21 -0.41 0.00 -0.87 0.00 0.00 58.31 60.24 1inz n LYS 117 Cb 0.00 -3.61 -0.04 0.00 0.02 0.00 0.00 35.03 31.40 1inz n LYS 117 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1inz s ASP 118 N -3.27 7.12 -0.15 3.14 2.15 -1.26 -4.66 116.67 119.73 1inz s ASP 118 Ca 0.00 2.32 0.19 0.00 0.43 0.00 0.00 52.55 55.49 1inz s ASP 118 Cb 0.00 -2.62 0.45 0.00 -0.30 0.00 0.00 42.92 40.45 1inz s ASP 118 CO 0.00 -0.30 1.17 0.00 -0.17 0.00 0.00 175.17 175.88 1inz n GLN 119 N 1.67 1.30 -0.53 4.34 10.64 -1.25 -4.78 117.38 128.76 1inz n GLN 119 Ca 0.01 -2.97 0.04 0.00 -1.83 0.00 0.00 57.00 52.25 1inz n GLN 119 Cb 0.44 -1.09 0.20 0.00 -0.86 0.00 0.00 30.24 28.94 1inz n GLN 119 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1inz n GLY 120 N -0.32 4.77 0.13 2.61 0.00 -1.26 -4.67 105.19 106.45 1inz n GLY 120 Ca 0.15 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 1inz n GLY 120 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1inz h VAL 121 N 0.96 1.46 -0.50 1.61 3.04 -1.98 -2.51 116.25 118.33 1inz h VAL 121 Ca 0.08 -2.34 0.10 0.00 -1.01 0.00 0.00 66.70 63.53 1inz h VAL 121 Cb 1.34 2.91 -0.10 0.00 -2.01 0.00 0.00 31.29 33.42 1inz h VAL 121 CO 0.19 0.67 -0.18 0.78 -1.01 0.00 0.00 177.57 178.03 1inz h ASN 122 N -0.20 -0.62 1.38 3.17 2.35 -1.99 0.31 115.58 119.98 1inz h ASN 122 Ca -0.12 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1inz h ASN 122 Cb 1.53 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 40.27 1inz h ASN 122 CO 0.15 -0.21 -0.04 1.62 -1.65 0.00 0.00 177.43 177.29 1inz h VAL 123 N -0.06 0.09 0.28 2.81 3.04 -1.90 -2.68 116.25 117.83 1inz h VAL 123 Ca 0.24 -0.82 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 1inz h VAL 123 Cb 0.43 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1inz h VAL 123 CO -0.55 0.04 -0.14 -0.09 -1.01 0.00 0.00 177.57 175.83 1inz h ARG 124 N 0.00 -0.36 0.00 4.17 2.43 0.05 -2.68 114.38 117.98 1inz h ARG 124 Ca -0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1inz h ARG 124 Cb 0.75 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1inz h ARG 124 CO 0.01 -0.24 -0.09 1.05 -1.51 0.00 0.00 179.97 179.18 1inz h GLU 125 N -0.57 0.00 0.84 0.20 -0.00 -1.40 -2.97 114.58 110.67 1inz h GLU 125 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.28 1inz h GLU 125 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.05 1inz h GLU 125 CO 0.06 0.09 -0.40 -0.22 -0.00 0.00 0.00 179.01 178.54 1inz h LYS 126 N 0.00 -1.08 -0.99 1.06 1.63 -1.50 -1.31 116.57 114.38 1inz h LYS 126 Ca -0.00 0.07 0.17 0.00 -0.85 0.00 0.00 60.65 60.05 1inz h LYS 126 Cb 0.17 0.25 -0.10 0.00 -0.60 0.00 0.00 32.23 31.95 1inz h LYS 126 CO 0.01 -0.71 0.60 0.00 -3.45 0.00 0.00 179.45 175.89 1inz h ALA 127 N -1.02 1.60 -0.55 5.00 0.00 -1.33 0.82 119.26 123.79 1inz h ALA 127 Ca -0.11 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1inz h ALA 127 Cb 0.87 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1inz h ALA 127 CO 0.19 -0.00 0.16 -0.22 0.00 0.00 0.00 179.25 179.37 1inz h LYS 128 N 0.79 0.82 -0.02 0.00 3.64 -1.34 -2.87 116.57 117.60 1inz h LYS 128 Ca 0.55 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1inz h LYS 128 Cb 0.80 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1inz h LYS 128 CO -0.36 0.72 0.01 0.37 -2.27 0.00 0.00 179.45 177.92 1inz h GLN 129 N 0.80 0.02 -0.27 1.90 4.15 0.34 -1.09 115.11 120.96 1inz h GLN 129 Ca 0.18 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.67 1inz h GLN 129 Cb 0.25 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1inz h GLN 129 CO -0.01 0.14 0.21 1.25 -1.93 0.00 0.00 178.83 178.49 1inz h LEU 130 N -0.10 0.00 -0.16 -2.39 6.46 -1.33 0.16 115.31 117.95 1inz h LEU 130 Ca 0.01 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 1inz h LEU 130 Cb 0.12 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1inz h LEU 130 CO -0.00 0.00 -0.72 0.58 -0.62 0.00 0.00 178.44 177.68 1inz h VAL 131 N 0.00 1.30 0.17 1.05 2.07 -1.17 -3.25 116.25 116.41 1inz h VAL 131 Ca 0.13 -2.68 -0.01 0.00 0.82 0.00 0.00 66.70 64.96 1inz h VAL 131 Cb 0.54 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1inz h VAL 131 CO -0.00 0.71 -0.08 0.00 0.02 0.00 0.00 177.57 178.22 1inz h ALA 132 N 1.28 -0.22 -1.21 1.67 0.00 0.53 -1.75 119.26 119.56 1inz h ALA 132 Ca -0.01 -0.15 0.35 0.00 0.00 0.00 0.00 54.91 55.11 1inz h ALA 132 Cb 1.48 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 1inz h ALA 132 CO 0.09 -0.23 0.80 -0.07 0.00 0.00 0.00 179.25 179.84 1inz h LEU 133 N -1.00 0.28 0.08 0.00 3.38 -1.43 0.37 115.31 116.98 1inz h LEU 133 Ca -0.02 0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 1inz h LEU 133 Cb 0.37 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1inz h LEU 133 CO 0.04 -0.03 -1.37 -0.07 0.09 0.00 0.00 178.44 177.10 1inz h LEU 134 N 0.20 0.27 -7.75 1.67 4.07 -1.60 -3.42 115.31 108.73 1inz h LEU 134 Ca 0.69 -0.34 -0.67 0.00 0.08 0.00 0.00 57.88 57.64 1inz h LEU 134 Cb 2.13 -0.09 -0.39 0.00 1.08 0.00 0.00 40.66 43.39 1inz h LEU 134 CO -0.28 1.28 -0.72 -0.60 -1.08 0.00 0.00 178.44 177.04 1inz s ARG 135 N -2.64 1.73 0.00 1.13 6.06 0.13 -4.91 118.95 120.44 1inz s ARG 135 Ca -0.05 -1.73 0.00 0.00 -2.50 0.00 0.00 55.73 51.45 1inz s ARG 135 Cb 0.08 -3.16 0.00 0.00 0.06 0.00 0.00 34.95 31.92 1inz s ARG 135 CO 0.85 -0.85 0.00 -0.25 -2.50 0.00 0.00 175.30 172.55 1inz n ASP 136 N 4.33 0.00 -3.60 -2.12 9.92 -1.22 -4.52 116.55 119.34 1inz n ASP 136 Ca -0.01 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.09 1inz n ASP 136 Cb 0.42 0.06 -0.07 0.00 -0.64 0.00 0.00 41.12 40.89 1inz n ASP 136 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1inz s GLU 137 N -0.18 0.90 -0.86 -1.24 0.41 -1.26 -5.07 118.70 111.40 1inz s GLU 137 Ca 0.00 0.34 -0.26 0.00 -0.41 0.00 0.00 54.97 54.64 1inz s GLU 137 Cb 0.00 0.43 -0.15 0.00 -1.78 0.00 0.00 34.13 32.63 1inz s GLU 137 CO 0.00 -0.24 2.31 -0.51 -0.49 0.00 0.00 175.26 176.33 1inz s ASP 138 N -0.81 3.87 -0.82 -0.19 1.01 -1.26 -4.86 116.67 113.61 1inz s ASP 138 Ca -0.09 -0.23 -0.19 0.00 0.71 0.00 0.00 52.55 52.76 1inz s ASP 138 Cb -0.02 -2.56 0.13 0.00 1.01 0.00 0.00 42.92 41.48 1inz s ASP 138 CO 0.07 -4.00 0.98 -0.13 0.21 0.00 0.00 175.17 172.29 1inz s ARG 139 N 8.67 3.44 0.00 8.23 1.81 -1.26 -4.83 118.95 135.00 1inz s ARG 139 Ca 0.89 -1.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1inz s ARG 139 Cb -0.11 -4.64 0.00 0.00 -0.45 0.00 0.00 34.95 29.75 1inz s ARG 139 CO 0.10 -1.67 0.00 1.28 -0.68 0.00 0.00 175.30 174.32 1inz n LEU 140 N 6.30 0.00 -4.42 2.53 4.77 -1.26 -5.09 117.00 119.83 1inz n LEU 140 Ca 0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 1inz n LEU 140 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1inz n LEU 140 CO 0.51 0.00 -0.54 -0.13 -1.33 0.00 0.00 177.39 175.90 1inz s ARG 141 N 0.00 1.60 -0.40 3.23 0.52 -1.26 -5.07 118.95 117.57 1inz s ARG 141 Ca 0.00 -1.25 0.09 0.00 -0.52 0.00 0.00 55.73 54.05 1inz s ARG 141 Cb 0.00 -1.99 0.30 0.00 0.52 0.00 0.00 34.95 33.78 1inz s ARG 141 CO 0.00 0.47 0.73 -1.91 0.02 0.00 0.00 175.30 174.61 1inz n GLU 142 N 1.01 0.86 0.00 3.54 0.00 -1.26 -5.03 120.64 119.77 1inz n GLU 142 Ca -0.17 -2.91 0.00 0.00 0.00 0.00 0.00 57.16 54.08 1inz n GLU 142 Cb 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.56 1inz n GLU 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1inz n GLU 143 N 0.86 0.00 0.00 5.31 1.02 -1.26 -5.32 120.64 121.25 1inz n GLU 143 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1inz n GLU 143 Cb 0.62 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18