#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 5.52 -0.77 1.61 0.01 -1.26 -5.06 113.70 113.75 1inz s SER -2 Ca 0.00 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 1inz s SER -2 Cb 0.00 -0.46 0.20 0.00 0.21 0.00 0.00 66.02 65.97 1inz s SER -2 CO 0.00 -0.91 0.65 -0.55 0.41 0.00 0.00 173.24 172.84 1inz s SER -1 N -4.42 6.02 0.76 2.44 0.15 -1.26 -5.06 113.70 112.33 1inz s SER -1 Ca 0.57 -2.96 -0.07 0.00 0.70 0.00 0.00 55.95 54.19 1inz s SER -1 Cb -0.09 -2.01 0.11 0.00 -1.71 0.00 0.00 66.02 62.31 1inz s SER -1 CO 0.35 -0.41 1.07 -0.60 1.20 0.00 0.00 173.24 174.84 1inz s ARG 0 N -0.23 1.74 -0.04 5.44 3.52 -1.26 -5.09 118.95 123.03 1inz s ARG 0 Ca 0.20 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 1inz s ARG 0 Cb -0.14 -2.14 -0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1inz s ARG 0 CO -0.07 -1.53 -0.15 -1.64 -0.81 0.00 0.00 175.30 171.10 1inz s MET 1 N -5.35 1.62 -1.04 5.12 -1.94 -1.26 -4.82 119.30 111.63 1inz s MET 1 Ca 0.65 -0.53 -0.05 0.00 -1.71 0.00 0.00 55.69 54.04 1inz s MET 1 Cb -0.08 -1.41 -0.06 0.00 2.01 0.00 0.00 34.83 35.28 1inz s MET 1 CO 0.46 0.19 0.91 0.43 -0.01 0.00 0.00 175.02 177.00 1inz n SER 2 N 3.25 -6.23 -4.60 3.03 7.64 -1.26 -5.01 113.62 110.45 1inz n SER 2 Ca -0.19 -0.69 -0.32 0.00 1.01 0.00 0.00 58.87 58.68 1inz n SER 2 Cb 0.53 -5.11 -0.10 0.00 -1.01 0.00 0.00 64.21 58.52 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 -3.38 3.69 -1.44 0.44 2.01 -1.26 -4.63 115.64 111.07 1inz s THR 3 Ca 0.42 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 1inz s THR 3 Cb -0.05 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1inz s THR 3 CO 0.72 0.39 0.28 -1.54 -0.69 0.00 0.00 174.62 173.78 1inz n SER 4 N 1.53 -0.35 -0.03 3.53 3.41 -1.26 -4.85 113.62 115.61 1inz n SER 4 Ca -0.15 -1.15 -0.15 0.00 -0.26 0.00 0.00 58.87 57.16 1inz n SER 4 Cb 0.53 -2.33 -0.09 0.00 -0.26 0.00 0.00 64.21 62.06 1inz n SER 4 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1inz h SER 5 N -1.89 0.47 -5.19 4.04 0.87 -2.00 -3.49 113.55 106.36 1inz h SER 5 Ca -0.65 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.27 1inz h SER 5 Cb 1.39 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 1inz h SER 5 CO 0.64 1.03 -0.86 -0.11 -0.53 0.00 0.00 176.83 177.00 1inz n LEU 6 N -4.37 -5.11 0.00 2.23 -0.00 -1.26 -5.00 117.00 103.49 1inz n LEU 6 Ca -0.08 1.88 0.00 0.00 -0.00 0.00 0.00 56.01 57.81 1inz n LEU 6 Cb 0.52 -2.58 0.00 0.00 -0.00 0.00 0.00 43.42 41.37 1inz n LEU 6 CO 0.43 -3.25 0.00 0.54 -0.00 0.00 0.00 177.39 175.11 1inz n ARG 7 N 2.02 0.89 -3.88 1.96 1.74 -1.26 -5.08 116.66 113.05 1inz n ARG 7 Ca -0.19 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.61 1inz n ARG 7 Cb 0.29 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.69 1inz n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1inz s ARG 8 N -1.06 3.46 0.21 5.56 0.52 -1.26 -5.09 118.95 121.29 1inz s ARG 8 Ca 0.00 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.62 1inz s ARG 8 Cb 0.00 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.44 1inz s ARG 8 CO 0.00 0.52 0.55 -0.65 0.02 0.00 0.00 175.30 175.74 1inz s GLN 9 N -3.03 3.84 0.00 3.54 -1.52 -1.26 -5.02 119.66 116.21 1inz s GLN 9 Ca 0.36 0.32 0.00 0.00 -1.95 0.00 0.00 55.36 54.09 1inz s GLN 9 Cb -0.12 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 29.97 1inz s GLN 9 CO 0.28 0.35 0.00 -1.33 -0.25 0.00 0.00 175.29 174.34 1inz n MET 10 N 0.07 0.00 -0.22 2.91 2.81 -1.26 -4.85 117.12 116.57 1inz n MET 10 Ca -0.01 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.90 1inz n MET 10 Cb 0.52 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.14 1inz n MET 10 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1inz h LYS 11 N 0.00 0.06 -4.83 0.03 2.10 -2.08 -3.47 116.57 108.38 1inz h LYS 11 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1inz h LYS 11 Cb 0.00 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.27 1inz h LYS 11 CO 0.00 0.04 -1.18 0.09 -2.00 0.00 0.00 179.45 176.41 1inz n ASN 12 N -5.36 -6.43 -4.80 7.07 3.02 -1.26 -4.94 115.26 102.55 1inz n ASN 12 Ca 0.10 1.70 -0.38 0.00 -0.03 0.00 0.00 54.58 55.97 1inz n ASN 12 Cb 0.38 -5.19 -0.06 0.00 -0.61 0.00 0.00 39.78 34.30 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 -0.61 5.02 -0.95 2.41 1.09 -1.26 -5.01 121.20 121.89 1inz s ILE 13 Ca -0.10 0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 60.37 1inz s ILE 13 Cb 0.01 -3.77 0.31 0.00 -1.06 0.00 0.00 42.46 37.95 1inz s ILE 13 CO 0.26 0.52 1.46 0.52 -0.10 0.00 0.00 174.94 177.60 1inz n VAL 14 N 2.25 5.01 -2.45 2.92 0.31 -1.26 -5.01 118.33 120.10 1inz n VAL 14 Ca -0.12 -5.83 0.00 0.00 -0.01 0.00 0.00 64.34 58.38 1inz n VAL 14 Cb 0.52 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1inz n VAL 14 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1inz n HIS 15 N 0.56 -1.93 -2.78 3.52 8.25 -1.26 -5.03 115.22 116.55 1inz n HIS 15 Ca 0.35 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.38 1inz n HIS 15 Cb 0.32 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1inz n HIS 15 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1inz s ASN 16 N -1.00 6.78 0.47 0.41 0.01 -1.26 -5.03 114.94 115.31 1inz s ASN 16 Ca 0.00 0.79 -0.05 0.00 -0.71 0.00 0.00 52.86 52.89 1inz s ASN 16 Cb 0.00 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1inz s ASN 16 CO 0.00 -0.80 0.77 -0.72 -1.51 0.00 0.00 177.10 174.84 1inz s TYR 17 N 3.40 3.56 -0.56 2.20 -0.85 -1.26 -3.90 117.35 119.94 1inz s TYR 17 Ca 0.39 0.80 0.00 0.00 -0.52 0.00 0.00 57.07 57.74 1inz s TYR 17 Cb -0.13 -2.28 0.00 0.00 0.38 0.00 0.00 41.96 39.93 1inz s TYR 17 CO 0.16 -0.25 0.00 0.43 -1.52 0.00 0.00 175.55 174.37 1inz n SER 18 N -2.19 -2.20 -0.03 -0.18 7.64 -1.26 -4.69 113.62 110.71 1inz n SER 18 Ca 0.00 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1inz n SER 18 Cb 0.55 -2.04 -0.08 0.00 -1.01 0.00 0.00 64.21 61.64 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 -2.29 1.41 0.13 1.43 1.02 -1.25 -4.54 120.64 116.54 1inz n GLU 19 Ca -0.07 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.89 1inz n GLU 19 Cb 0.45 -1.24 -0.08 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.69 -0.31 -1.00 0.62 0.00 -1.84 -2.70 119.26 114.73 1inz h ALA 20 Ca -0.13 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 54.88 1inz h ALA 20 Cb 1.03 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1inz h ALA 20 CO 0.01 -0.55 0.67 1.05 0.00 0.00 0.00 179.25 180.43 1inz h GLU 21 N -0.56 0.28 -0.59 0.00 4.11 -1.82 0.28 114.58 116.27 1inz h GLU 21 Ca -0.03 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 1inz h GLU 21 Cb 0.41 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1inz h GLU 21 CO 0.05 0.18 -0.00 0.82 0.07 0.00 0.00 179.01 180.13 1inz h ILE 22 N 0.28 1.26 -0.53 -1.06 2.04 -1.72 -2.85 117.51 114.93 1inz h ILE 22 Ca 0.53 -1.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.13 1inz h ILE 22 Cb 1.54 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1inz h ILE 22 CO -0.18 0.41 -0.11 0.11 0.00 0.00 0.00 178.15 178.39 1inz h LYS 23 N 0.94 1.01 -0.90 2.37 1.79 -0.26 -2.83 116.57 118.68 1inz h LYS 23 Ca 0.17 -0.37 0.06 0.00 -2.18 0.00 0.00 60.65 58.32 1inz h LYS 23 Cb 0.55 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.08 1inz h LYS 23 CO 0.03 1.05 0.59 0.28 -1.08 0.00 0.00 179.45 180.32 1inz h VAL 24 N 0.89 1.09 0.06 0.50 2.07 -1.18 0.85 116.25 120.54 1inz h VAL 24 Ca 0.14 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1inz h VAL 24 Cb 0.67 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1inz h VAL 24 CO 0.05 0.19 -0.03 0.03 0.02 0.00 0.00 177.57 177.83 1inz h ARG 25 N 1.06 -0.07 0.00 1.57 2.47 -1.28 -1.80 114.38 116.32 1inz h ARG 25 Ca 0.38 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1inz h ARG 25 Cb 0.14 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1inz h ARG 25 CO -0.13 0.11 0.00 1.49 0.56 0.00 0.00 179.97 181.99 1inz h GLU 26 N -0.24 0.00 0.08 0.04 4.81 -1.31 -2.69 114.58 115.26 1inz h GLU 26 Ca -0.01 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.97 1inz h GLU 26 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1inz h GLU 26 CO 0.01 0.00 -1.14 0.00 -0.73 0.00 0.00 179.01 177.15 1inz h ALA 27 N 2.13 0.20 -0.67 2.92 0.00 -0.22 -3.26 119.26 120.37 1inz h ALA 27 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 54.91 53.63 1inz h ALA 27 Cb 0.38 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.92 1inz h ALA 27 CO 0.00 1.06 0.51 0.25 0.00 0.00 0.00 179.25 181.07 1inz n THR 28 N -3.48 2.75 -2.66 0.00 -2.24 -0.73 -4.32 114.28 103.61 1inz n THR 28 Ca -0.05 -1.66 -0.03 0.00 -2.27 0.00 0.00 64.05 60.04 1inz n THR 28 Cb 0.98 -0.93 0.05 0.00 -2.10 0.00 0.00 70.33 68.33 1inz n THR 28 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1inz n SER 29 N -0.38 -1.12 -3.91 3.42 2.88 -1.23 -4.84 113.62 108.45 1inz n SER 29 Ca 0.41 -1.66 -0.33 0.00 -1.33 0.00 0.00 58.87 55.96 1inz n SER 29 Cb 0.98 1.05 -0.08 0.00 -0.75 0.00 0.00 64.21 65.41 1inz n SER 29 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1inz n ASN 30 N 0.00 3.98 -0.03 -3.46 5.15 -1.24 -4.87 115.26 114.79 1inz n ASN 30 Ca -0.17 -3.24 -0.15 0.00 -0.60 0.00 0.00 54.58 50.41 1inz n ASN 30 Cb 0.70 -0.91 -0.12 0.00 -0.53 0.00 0.00 39.78 38.92 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 5.41 0.16 -3.01 1.20 3.58 -1.94 -3.46 116.42 118.36 1inz h ASP 31 Ca 0.17 -0.86 -0.39 0.00 0.42 0.00 0.00 57.03 56.37 1inz h ASP 31 Cb 0.75 -0.05 0.22 0.00 1.72 0.00 0.00 39.33 41.97 1inz h ASP 31 CO 0.86 1.00 -0.13 -2.84 -2.88 0.00 0.00 179.24 175.25 1inz s PRO 32 N -2.79 -2.74 0.39 0.28 0.02 -1.26 -4.82 135.00 124.08 1inz s PRO 32 Ca -0.17 0.34 0.00 0.00 0.02 0.00 0.00 61.00 61.19 1inz s PRO 32 Cb -0.00 -1.38 0.00 0.00 0.02 0.00 0.00 34.50 33.13 1inz s PRO 32 CO 0.73 -4.80 0.00 0.91 -0.33 0.00 0.00 177.00 173.51 1inz n TRP 33 N -5.61 -3.14 -0.27 6.54 8.01 -1.26 -4.84 117.44 116.88 1inz n TRP 33 Ca 0.10 1.63 -0.29 0.00 -1.31 0.00 0.00 57.50 57.63 1inz n TRP 33 Cb 0.59 -2.85 0.28 0.00 -2.01 0.00 0.00 31.31 27.31 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 -3.97 -3.67 0.00 6.99 0.00 -1.26 -4.96 105.19 98.31 1inz n GLY 34 Ca -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -5.34 0.00 -1.68 1.61 -0.04 -1.26 -4.76 135.00 123.53 1inz n PRO 35 Ca 0.12 0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 1inz n PRO 35 Cb 0.57 -1.20 0.06 0.00 -0.04 0.00 0.00 33.50 32.89 1inz n PRO 35 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1inz s SER 36 N -2.05 4.80 0.05 3.54 0.15 -1.26 -5.05 113.70 113.88 1inz s SER 36 Ca 0.00 2.17 -0.02 0.00 0.70 0.00 0.00 55.95 58.79 1inz s SER 36 Cb 0.00 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1inz s SER 36 CO 0.00 -1.84 0.01 -0.55 1.20 0.00 0.00 173.24 172.06 1inz s SER 37 N -2.26 0.36 -0.24 5.45 0.15 -1.26 -5.03 113.70 110.86 1inz s SER 37 Ca 0.71 -0.82 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1inz s SER 37 Cb -0.24 0.21 0.14 0.00 -1.71 0.00 0.00 66.02 64.41 1inz s SER 37 CO 0.41 -0.56 2.12 -0.24 1.20 0.00 0.00 173.24 176.18 1inz n SER 38 N 0.41 6.18 -0.01 5.45 2.88 -1.26 -3.87 113.62 123.39 1inz n SER 38 Ca -0.16 -2.91 0.01 0.00 -1.33 0.00 0.00 58.87 54.48 1inz n SER 38 Cb 0.60 -1.10 -0.04 0.00 -0.75 0.00 0.00 64.21 62.92 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 0.72 0.00 0.25 2.46 7.94 -1.26 -4.52 117.00 122.59 1inz n LEU 39 Ca 0.25 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.05 1inz n LEU 39 Cb 0.57 0.04 -0.05 0.00 0.53 0.00 0.00 43.42 44.51 1inz n LEU 39 CO 0.28 0.04 0.33 0.24 -1.11 0.00 0.00 177.39 177.18 1inz h MET 40 N 0.00 -0.64 -0.32 1.96 2.86 -1.96 -2.03 114.93 114.79 1inz h MET 40 Ca -0.05 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1inz h MET 40 Cb 0.62 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1inz h MET 40 CO 0.00 -0.43 0.45 1.03 1.06 0.00 0.00 176.91 179.02 1inz h SER 41 N -0.96 0.00 0.11 1.22 0.87 -1.85 -1.62 113.55 111.31 1inz h SER 41 Ca -0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1inz h SER 41 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1inz h SER 41 CO 0.11 0.00 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.03 1inz h GLU 42 N 0.00 -0.14 -0.79 2.24 4.39 -1.75 -2.61 114.58 115.92 1inz h GLU 42 Ca 0.15 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.05 1inz h GLU 42 Cb 1.04 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.68 1inz h GLU 42 CO -0.00 0.35 0.54 0.82 -1.16 0.00 0.00 179.01 179.56 1inz h ILE 43 N -0.88 0.70 0.14 3.13 2.04 -0.56 -1.52 117.51 120.56 1inz h ILE 43 Ca -0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1inz h ILE 43 Cb 0.55 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1inz h ILE 43 CO 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 178.15 178.15 1inz h ALA 44 N 1.63 -0.19 -0.12 1.87 0.00 -1.48 -2.70 119.26 118.26 1inz h ALA 44 Ca 0.39 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1inz h ALA 44 Cb 1.16 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1inz h ALA 44 CO -0.09 -0.35 0.45 -0.44 0.00 0.00 0.00 179.25 178.81 1inz h ASP 45 N -0.71 0.00 0.06 0.00 3.32 -0.89 0.21 116.42 118.42 1inz h ASP 45 Ca -0.02 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.77 1inz h ASP 45 Cb 0.51 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.09 1inz h ASP 45 CO 0.03 0.00 -1.04 -0.07 -1.72 0.00 0.00 179.24 176.44 1inz h LEU 46 N 0.00 0.82 -0.79 1.55 3.38 -1.09 -3.26 115.31 115.92 1inz h LEU 46 Ca 0.06 -0.79 0.11 0.00 0.09 0.00 0.00 57.88 57.35 1inz h LEU 46 Cb 0.96 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1inz h LEU 46 CO -0.00 1.51 0.41 0.71 0.09 0.00 0.00 178.44 181.17 1inz h THR 47 N 0.22 0.82 -1.10 0.22 1.35 -0.40 -0.27 112.91 113.76 1inz h THR 47 Ca -0.15 -0.23 0.43 0.00 -0.55 0.00 0.00 66.41 65.91 1inz h THR 47 Cb 1.72 0.10 -0.17 0.00 -1.73 0.00 0.00 68.15 68.08 1inz h THR 47 CO 0.20 0.12 0.63 1.88 -0.25 0.00 0.00 175.52 178.11 1inz h TYR 48 N 0.66 0.75 0.00 4.73 -1.99 -1.59 -3.36 116.97 116.18 1inz h TYR 48 Ca 0.40 0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.17 1inz h TYR 48 Cb 0.46 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1inz h TYR 48 CO -0.09 -0.40 0.00 0.09 -0.00 0.00 0.00 178.16 177.76 1inz n ASN 49 N -5.10 0.00 0.00 3.88 5.03 -0.11 -4.98 115.26 113.97 1inz n ASN 49 Ca 0.38 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.83 1inz n ASN 49 Cb 1.34 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 40.10 1inz n ASN 49 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1inz n VAL 50 N -0.25 0.00 -0.07 2.41 0.31 -1.26 -4.74 118.33 114.74 1inz n VAL 50 Ca 0.00 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 1inz n VAL 50 Cb 0.00 0.59 -0.05 0.00 -0.91 0.00 0.00 33.84 33.46 1inz n VAL 50 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1inz n VAL 51 N -0.77 0.75 -0.23 2.52 3.14 -1.26 -4.46 118.33 118.02 1inz n VAL 51 Ca 0.00 -0.21 0.03 0.00 -2.96 0.00 0.00 64.34 61.20 1inz n VAL 51 Cb 0.00 -1.55 0.14 0.00 -1.06 0.00 0.00 33.84 31.37 1inz n VAL 51 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1inz h ALA 52 N -0.40 0.75 0.25 1.55 0.00 -1.88 0.15 119.26 119.68 1inz h ALA 52 Ca -0.34 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1inz h ALA 52 Cb 1.33 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1inz h ALA 52 CO -0.18 -0.38 -0.26 0.35 0.00 0.00 0.00 179.25 178.78 1inz h PHE 53 N 0.16 -0.69 -0.00 0.00 3.57 -1.70 0.29 116.94 118.57 1inz h PHE 53 Ca 0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1inz h PHE 53 Cb 0.62 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1inz h PHE 53 CO -0.34 -0.38 0.01 1.03 -2.23 0.00 0.00 178.31 176.40 1inz h SER 54 N -0.54 0.00 0.91 0.41 0.87 -1.49 -0.12 113.55 113.58 1inz h SER 54 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1inz h SER 54 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1inz h SER 54 CO -0.06 0.00 -1.05 -0.62 -0.53 0.00 0.00 176.83 174.57 1inz n GLU 55 N -3.31 0.58 0.00 2.24 -0.58 -0.06 -3.68 120.64 115.83 1inz n GLU 55 Ca -0.03 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1inz n GLU 55 Cb 0.08 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1inz n GLU 55 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1inz n ILE 56 N -2.60 0.00 -0.39 -3.67 5.41 0.88 -3.12 119.36 115.86 1inz n ILE 56 Ca -0.00 0.49 0.32 0.00 1.00 0.00 0.00 62.75 64.55 1inz n ILE 56 Cb 0.54 -1.46 0.61 0.00 -0.71 0.00 0.00 39.64 38.62 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 0.19 0.67 0.38 2.86 -1.71 0.58 114.93 117.90 1inz h MET 57 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1inz h MET 57 Cb 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1inz h MET 57 CO 0.00 0.13 -0.48 1.03 1.06 0.00 0.00 176.91 178.64 1inz h SER 58 N 0.20 -1.26 -0.05 1.22 0.87 -1.68 0.24 113.55 113.09 1inz h SER 58 Ca 0.72 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 61.37 1inz h SER 58 Cb 2.16 0.39 -0.00 0.00 -0.44 0.00 0.00 62.40 64.51 1inz h SER 58 CO -0.33 -0.71 0.06 -0.03 -0.53 0.00 0.00 176.83 175.29 1inz h MET 59 N -1.11 0.00 0.00 2.24 -1.53 -0.87 -0.30 114.93 113.36 1inz h MET 59 Ca -0.09 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.03 1inz h MET 59 Cb 0.91 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.94 1inz h MET 59 CO 0.04 0.00 -0.71 0.82 0.14 0.00 0.00 176.91 177.20 1inz h ILE 60 N 0.00 1.51 0.01 1.77 2.04 -0.15 -2.90 117.51 119.78 1inz h ILE 60 Ca 0.02 -2.42 -0.14 0.00 1.00 0.00 0.00 64.86 63.32 1inz h ILE 60 Cb 0.14 2.31 0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1inz h ILE 60 CO -0.00 0.69 -0.56 -0.50 0.00 0.00 0.00 178.15 177.78 1inz h TRP 61 N 0.00 0.55 -0.09 1.37 -0.00 0.80 -1.43 115.95 117.15 1inz h TRP 61 Ca -0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 58.89 58.58 1inz h TRP 61 Cb 1.25 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 30.34 1inz h TRP 61 CO 0.00 1.13 0.06 0.87 -0.00 0.00 0.00 178.44 180.50 1inz h LYS 62 N -0.18 0.12 -0.07 0.49 6.56 -1.52 -2.65 116.57 119.33 1inz h LYS 62 Ca -0.07 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.39 1inz h LYS 62 Cb 1.28 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.90 1inz h LYS 62 CO 0.11 0.10 -0.52 0.00 -2.06 0.00 0.00 179.45 177.08 1inz h ARG 63 N 0.11 0.19 0.00 3.15 2.47 -1.61 -2.80 114.38 115.89 1inz h ARG 63 Ca 0.03 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1inz h ARG 63 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1inz h ARG 63 CO -0.01 0.66 0.14 -0.07 0.56 0.00 0.00 179.97 181.26 1inz h LEU 64 N 0.15 0.00 -3.91 3.04 3.38 -0.89 -0.61 115.31 116.48 1inz h LEU 64 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1inz h LEU 64 Cb 0.97 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.41 1inz h LEU 64 CO 0.08 0.00 0.47 -3.20 0.09 0.00 0.00 178.44 175.88 1inz n ASN 65 N -2.78 6.30 -3.19 -0.43 5.15 -1.05 -4.68 115.26 114.57 1inz n ASN 65 Ca -0.02 -3.76 0.00 0.00 -0.60 0.00 0.00 54.58 50.20 1inz n ASN 65 Cb 0.19 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 1inz n ASN 65 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1inz n ASP 66 N -0.93 -0.89 -4.40 1.20 2.03 -0.23 -4.99 116.55 108.34 1inz n ASP 66 Ca 0.57 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.62 1inz n ASP 66 Cb 0.88 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.43 1inz n ASP 66 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1inz s HIS 67 N -0.45 1.46 -0.06 -0.67 3.76 -1.26 -4.96 115.29 113.11 1inz s HIS 67 Ca 0.00 -0.06 -0.21 0.00 -0.15 0.00 0.00 55.06 54.64 1inz s HIS 67 Cb 0.00 -3.51 -0.16 0.00 1.11 0.00 0.00 32.58 30.02 1inz s HIS 67 CO 0.00 -2.20 0.84 0.78 -0.85 0.00 0.00 174.74 173.32 1inz h GLY 68 N -1.06 -0.19 1.14 -2.22 0.00 -1.96 -3.05 103.07 95.73 1inz h GLY 68 Ca -0.39 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1inz h GLY 68 CO 0.37 -0.07 0.20 0.50 0.00 0.00 0.00 176.54 177.54 1inz h LYS 69 N -0.86 1.07 -1.57 4.80 1.79 -1.95 -2.80 116.57 117.06 1inz h LYS 69 Ca -0.02 -0.23 -0.46 0.00 -2.18 0.00 0.00 60.65 57.76 1inz h LYS 69 Cb 0.54 -0.15 -0.18 0.00 -1.58 0.00 0.00 32.23 30.85 1inz h LYS 69 CO 0.03 0.93 0.53 0.09 -1.08 0.00 0.00 179.45 179.95 1inz n ASN 70 N -4.25 6.77 0.00 0.86 4.13 -1.24 -4.54 115.26 116.98 1inz n ASN 70 Ca 0.05 -3.28 0.04 0.00 1.68 0.00 0.00 54.58 53.08 1inz n ASN 70 Cb 0.23 -1.09 0.19 0.00 -1.54 0.00 0.00 39.78 37.58 1inz n ASN 70 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1inz n TRP 71 N 0.19 0.00 0.13 3.10 4.27 -1.06 -2.70 117.44 121.38 1inz n TRP 71 Ca 0.42 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 54.21 1inz n TRP 71 Cb 0.57 -0.45 0.76 0.00 -1.36 0.00 0.00 31.31 30.83 1inz n TRP 71 CO 0.00 0.00 0.00 0.07 -2.29 0.00 0.00 177.69 175.47 1inz h ARG 72 N 0.00 0.00 -0.12 -2.67 0.11 -1.88 0.14 114.38 109.95 1inz h ARG 72 Ca 0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 1inz h ARG 72 Cb 0.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 1inz h ARG 72 CO 0.00 0.00 -0.68 0.45 0.10 0.00 0.00 179.97 179.84 1inz h HIS 73 N 0.00 0.67 0.81 4.08 3.86 -1.83 -3.05 115.15 119.70 1inz h HIS 73 Ca 0.15 -0.28 -0.04 0.00 -1.16 0.00 0.00 60.37 59.04 1inz h HIS 73 Cb 0.73 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 29.10 1inz h HIS 73 CO 0.00 1.04 -0.39 0.28 0.86 0.00 0.00 177.93 179.72 1inz h VAL 74 N 0.36 0.09 -0.88 2.45 2.07 -1.13 -1.10 116.25 118.11 1inz h VAL 74 Ca -0.02 -0.15 0.23 0.00 0.82 0.00 0.00 66.70 67.58 1inz h VAL 74 Cb 1.25 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 31.00 1inz h VAL 74 CO 0.12 0.01 0.32 0.22 0.02 0.00 0.00 177.57 178.26 1inz h TYR 75 N -1.22 0.51 -0.48 1.57 3.20 -1.60 0.45 116.97 119.39 1inz h TYR 75 Ca -0.11 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 1inz h TYR 75 Cb 0.85 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1inz h TYR 75 CO -0.00 -0.13 0.00 0.87 -1.64 0.00 0.00 178.16 177.26 1inz h LYS 76 N 0.30 0.80 0.00 1.82 1.79 -1.39 -2.25 116.57 117.64 1inz h LYS 76 Ca 0.56 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.77 1inz h LYS 76 Cb 1.09 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1inz h LYS 76 CO -0.59 0.81 -0.21 0.00 -1.08 0.00 0.00 179.45 178.37 1inz h ALA 77 N 1.25 1.37 -0.27 3.86 0.00 0.12 -2.72 119.26 122.87 1inz h ALA 77 Ca 0.15 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1inz h ALA 77 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1inz h ALA 77 CO 0.02 0.27 -0.56 0.52 0.00 0.00 0.00 179.25 179.49 1inz h MET 78 N 0.00 0.83 -0.45 0.00 2.86 -0.68 -1.74 114.93 115.75 1inz h MET 78 Ca -0.00 -0.54 -0.05 0.00 -2.06 0.00 0.00 59.70 57.05 1inz h MET 78 Cb 0.46 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1inz h MET 78 CO 0.03 1.17 0.08 1.15 1.06 0.00 0.00 176.91 180.40 1inz h THR 79 N 0.63 1.21 0.00 2.22 2.02 -1.34 0.41 112.91 118.07 1inz h THR 79 Ca 0.01 -0.78 -0.24 0.00 0.77 0.00 0.00 66.41 66.17 1inz h THR 79 Cb 1.16 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1inz h THR 79 CO 0.12 0.28 -0.99 0.25 0.37 0.00 0.00 175.52 175.55 1inz h LEU 80 N 0.67 0.68 -1.06 2.58 5.85 -1.46 -1.44 115.31 121.12 1inz h LEU 80 Ca 0.15 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1inz h LEU 80 Cb 0.29 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1inz h LEU 80 CO 0.00 1.35 -0.05 -0.03 -0.34 0.00 0.00 178.44 179.37 1inz h MET 81 N 0.29 0.00 0.08 1.25 4.05 -0.96 -2.17 114.93 117.48 1inz h MET 81 Ca -0.10 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 58.98 1inz h MET 81 Cb 1.63 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.41 1inz h MET 81 CO 0.18 0.05 -1.87 1.49 0.23 0.00 0.00 176.91 177.00 1inz h GLU 82 N 0.00 0.18 -0.13 0.39 4.22 -0.84 -3.25 114.58 115.14 1inz h GLU 82 Ca -0.00 -0.30 -0.17 0.00 0.08 0.00 0.00 59.36 58.97 1inz h GLU 82 Cb 0.68 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1inz h GLU 82 CO 0.01 0.96 -0.59 -0.92 -2.18 0.00 0.00 179.01 176.29 1inz h TYR 83 N 0.05 0.85 -0.01 0.92 5.03 -1.22 -3.19 116.97 119.39 1inz h TYR 83 Ca -0.36 -0.37 -0.08 0.00 2.58 0.00 0.00 58.73 60.50 1inz h TYR 83 Cb 2.03 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 40.16 1inz h TYR 83 CO 0.05 1.16 -0.37 -0.07 -1.32 0.00 0.00 178.16 177.62 1inz h LEU 84 N 0.29 0.01 -0.53 2.82 3.38 -1.57 -1.93 115.31 117.78 1inz h LEU 84 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1inz h LEU 84 Cb 1.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1inz h LEU 84 CO 0.12 0.38 0.00 -0.38 0.09 0.00 0.00 178.44 178.65 1inz n ILE 85 N -4.10 0.95 -0.02 1.22 5.41 -1.21 0.66 119.36 122.28 1inz n ILE 85 Ca -0.02 0.29 -0.02 0.00 1.00 0.00 0.00 62.75 64.00 1inz n ILE 85 Cb 0.40 -1.18 -0.01 0.00 -0.71 0.00 0.00 39.64 38.15 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 -1.99 0.13 -0.26 0.38 5.02 -0.78 -4.54 118.16 116.11 1inz n LYS 86 Ca 0.02 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1inz n LYS 86 Cb 0.19 -0.67 0.27 0.00 -0.02 0.00 0.00 35.03 34.80 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 -3.04 0.69 -0.81 -0.18 5.66 -0.86 -4.22 114.28 111.53 1inz n THR 87 Ca -0.03 -0.78 -0.20 0.00 -3.05 0.00 0.00 64.05 59.99 1inz n THR 87 Cb 0.13 0.58 0.14 0.00 -1.55 0.00 0.00 70.33 69.62 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 1.48 4.09 0.59 1.09 0.00 0.21 -4.37 105.19 108.28 1inz n GLY 88 Ca 0.20 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.32 1inz n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1inz n SER 89 N -0.78 -3.19 0.00 1.61 3.41 -1.24 -3.69 113.62 109.73 1inz n SER 89 Ca 0.48 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.78 1inz n SER 89 Cb 1.37 -1.81 0.26 0.00 -0.26 0.00 0.00 64.21 63.78 1inz n SER 89 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1inz n GLU 90 N -2.63 0.00 -0.06 4.33 1.02 -1.26 -2.77 120.64 119.26 1inz n GLU 90 Ca -0.03 0.29 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1inz n GLU 90 Cb 0.25 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.43 -0.97 3.49 2.47 -1.92 -2.30 114.38 115.57 1inz h ARG 91 Ca 0.00 -0.22 0.15 0.00 -1.26 0.00 0.00 59.98 58.65 1inz h ARG 91 Cb 0.21 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.44 1inz h ARG 91 CO 0.00 0.78 0.59 0.28 0.56 0.00 0.00 179.97 182.18 1inz h VAL 92 N 0.08 0.80 -0.44 2.04 2.07 -1.59 0.55 116.25 119.75 1inz h VAL 92 Ca 0.03 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 1inz h VAL 92 Cb 0.70 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1inz h VAL 92 CO 0.04 0.15 -0.26 0.28 0.02 0.00 0.00 177.57 177.80 1inz h SER 93 N 0.83 0.96 -0.74 0.57 0.02 -1.67 -2.63 113.55 110.89 1inz h SER 93 Ca 0.52 -0.38 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 1inz h SER 93 Cb 0.69 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1inz h SER 93 CO -0.33 1.16 0.49 1.56 -1.14 0.00 0.00 176.83 178.57 1inz h GLN 94 N 0.79 0.58 -0.36 3.45 4.20 -0.33 0.19 115.11 123.63 1inz h GLN 94 Ca 0.10 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 1inz h GLN 94 Cb 0.83 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1inz h GLN 94 CO 0.07 0.38 -0.41 0.37 -0.67 0.00 0.00 178.83 178.57 1inz h GLN 95 N 0.60 0.92 -0.57 1.46 5.75 -1.03 -1.94 115.11 120.29 1inz h GLN 95 Ca 0.35 -0.50 0.13 0.00 -0.15 0.00 0.00 58.65 58.47 1inz h GLN 95 Cb 0.54 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 1inz h GLN 95 CO -0.12 1.15 0.40 0.00 -2.65 0.00 0.00 178.83 177.61 1inz h LYS 97 N 0.20 0.00 0.00 0.00 1.57 -1.02 -0.87 116.57 116.45 1inz h LYS 97 Ca 0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1inz h LYS 97 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1inz h LYS 97 CO -0.05 0.52 -0.15 1.05 -0.57 0.00 0.00 179.45 180.25 1inz h GLU 98 N 0.00 0.00 -0.68 3.15 -0.00 0.20 -3.32 114.58 113.93 1inz h GLU 98 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.03 1inz h GLU 98 Cb 1.48 0.00 -0.39 0.00 -0.00 0.00 0.00 28.75 29.84 1inz h GLU 98 CO 0.07 0.15 -1.13 -1.71 -0.00 0.00 0.00 179.01 176.40 1inz n ASN 99 N -3.20 1.38 -0.13 3.06 5.15 -0.55 -4.91 115.26 116.07 1inz n ASN 99 Ca 0.02 -2.35 0.02 0.00 -0.60 0.00 0.00 54.58 51.67 1inz n ASN 99 Cb 0.49 -0.45 0.32 0.00 -0.53 0.00 0.00 39.78 39.60 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 1inz h MET 100 N 2.75 0.80 -0.17 1.20 1.85 -1.26 -0.75 114.93 119.35 1inz h MET 100 Ca -0.13 -0.05 0.05 0.00 -0.61 0.00 0.00 59.70 58.96 1inz h MET 100 Cb 1.23 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 1inz h MET 100 CO 0.32 0.53 0.16 1.88 -0.40 0.00 0.00 176.91 179.39 1inz h TYR 101 N 0.83 0.00 -0.37 1.39 -1.99 -1.91 -1.03 116.97 113.89 1inz h TYR 101 Ca 0.23 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.83 1inz h TYR 101 Cb -0.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 1inz h TYR 101 CO -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 178.16 177.90 1inz h ALA 102 N 1.85 0.53 0.00 3.88 0.00 -1.51 0.98 119.26 124.98 1inz h ALA 102 Ca 0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1inz h ALA 102 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1inz h ALA 102 CO -0.00 0.54 -0.67 0.28 0.00 0.00 0.00 179.25 179.39 1inz h VAL 103 N 0.63 1.45 0.00 0.00 2.07 -1.27 -3.04 116.25 116.09 1inz h VAL 103 Ca 0.07 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.26 1inz h VAL 103 Cb 0.83 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1inz h VAL 103 CO 0.07 0.66 -0.36 1.56 0.02 0.00 0.00 177.57 179.52 1inz h GLN 104 N 0.00 0.00 0.00 1.57 4.20 -1.17 -3.24 115.11 116.47 1inz h GLN 104 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1inz h GLN 104 Cb 1.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1inz h GLN 104 CO 0.09 0.01 -0.00 0.00 -0.67 0.00 0.00 178.83 178.26 1inz h THR 105 N 0.00 0.00 -0.72 -0.54 1.03 -0.68 -3.06 112.91 108.95 1inz h THR 105 Ca -0.00 -0.62 -0.06 0.00 -0.01 0.00 0.00 66.41 65.72 1inz h THR 105 Cb 1.02 1.62 -0.03 0.00 -1.07 0.00 0.00 68.15 69.68 1inz h THR 105 CO 0.00 0.00 0.19 -0.07 -0.01 0.00 0.00 175.52 175.64 1inz h LEU 106 N 0.00 1.07 -1.95 0.00 3.38 -1.61 -2.05 115.31 114.15 1inz h LEU 106 Ca -0.00 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.87 1inz h LEU 106 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1inz h LEU 106 CO 0.00 1.01 0.46 0.07 0.09 0.00 0.00 178.44 180.07 1inz h LYS 107 N 1.08 0.00 0.12 1.13 5.09 -1.74 0.10 116.57 122.36 1inz h LYS 107 Ca 0.23 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.66 1inz h LYS 107 Cb 0.34 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 1inz h LYS 107 CO -0.00 0.00 -1.53 0.22 -2.09 0.00 0.00 179.45 176.04 1inz h ASP 108 N 0.00 0.40 -0.26 7.07 3.58 -1.55 -3.45 116.42 122.20 1inz h ASP 108 Ca 0.19 -0.55 -0.55 0.00 0.42 0.00 0.00 57.03 56.54 1inz h ASP 108 Cb 1.11 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.97 1inz h ASP 108 CO -0.00 1.46 1.65 0.33 -2.88 0.00 0.00 179.24 179.79 1inz n PHE 109 N -3.46 0.84 -3.87 0.28 -0.00 0.35 -4.86 117.46 106.74 1inz n PHE 109 Ca -0.17 0.41 -0.10 0.00 -0.00 0.00 0.00 57.45 57.59 1inz n PHE 109 Cb 1.04 -2.41 -0.09 0.00 -0.00 0.00 0.00 39.48 38.03 1inz n PHE 109 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 1inz s GLN 110 N 8.21 0.66 -0.29 -4.13 -2.07 -1.26 -4.91 119.66 115.87 1inz s GLN 110 Ca 1.27 -0.68 0.02 0.00 -1.82 0.00 0.00 55.36 54.15 1inz s GLN 110 Cb -1.15 0.27 0.20 0.00 -1.09 0.00 0.00 33.01 31.24 1inz s GLN 110 CO 0.49 -0.18 0.68 -0.47 -1.32 0.00 0.00 175.29 174.49 1inz s TYR 111 N -2.62 -1.56 0.00 9.60 6.14 -1.26 -5.01 117.35 122.64 1inz s TYR 111 Ca -0.05 1.02 0.00 0.00 0.64 0.00 0.00 57.07 58.69 1inz s TYR 111 Cb -0.01 0.31 0.00 0.00 0.42 0.00 0.00 41.96 42.68 1inz s TYR 111 CO -0.04 -0.90 0.86 1.55 0.64 0.00 0.00 175.55 177.65 1inz n VAL 112 N 5.37 0.00 0.14 3.14 3.14 -1.26 -4.81 118.33 124.06 1inz n VAL 112 Ca 0.04 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.29 1inz n VAL 112 Cb 0.54 0.43 -0.07 0.00 -1.06 0.00 0.00 33.84 33.68 1inz n VAL 112 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1inz h ASP 113 N 0.00 -0.95 0.02 6.55 1.82 -1.97 -2.54 116.42 119.35 1inz h ASP 113 Ca 0.00 0.10 -0.39 0.00 -0.39 0.00 0.00 57.03 56.35 1inz h ASP 113 Cb 1.29 0.35 -0.06 0.00 0.68 0.00 0.00 39.33 41.59 1inz h ASP 113 CO 0.00 -0.43 -2.24 -2.11 -1.61 0.00 0.00 179.24 172.85 1inz n ARG 114 N -5.43 0.63 0.01 0.28 1.85 -1.26 -4.54 116.66 108.19 1inz n ARG 114 Ca -0.08 0.28 -0.14 0.00 -1.00 0.00 0.00 57.85 56.92 1inz n ARG 114 Cb 0.34 -1.57 -0.09 0.00 -1.05 0.00 0.00 32.46 30.09 1inz n ARG 114 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1inz h ASP 115 N -0.56 -1.50 0.00 2.89 5.19 -1.88 -3.45 116.42 117.11 1inz h ASP 115 Ca -0.57 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1inz h ASP 115 Cb 1.70 0.58 0.00 0.00 0.18 0.00 0.00 39.33 41.79 1inz h ASP 115 CO -0.22 -0.44 0.00 0.61 -3.12 0.00 0.00 179.24 176.07 1inz n GLY 116 N -1.39 2.57 3.54 2.75 0.00 -0.96 -5.01 105.19 106.70 1inz n GLY 116 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.73 3.41 -1.44 1.61 1.02 -1.26 -4.95 119.74 117.40 1inz s LYS 117 Ca 0.00 -0.10 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 1inz s LYS 117 Cb 0.00 -3.94 0.05 0.00 -0.52 0.00 0.00 37.83 33.42 1inz s LYS 117 CO 0.00 -1.13 2.42 -0.25 -0.92 0.00 0.00 175.35 175.47 1inz n ASP 118 N 6.74 6.76 -1.85 2.83 9.92 -1.26 -4.59 116.55 135.09 1inz n ASP 118 Ca 0.02 -2.90 0.01 0.00 -0.53 0.00 0.00 54.79 51.39 1inz n ASP 118 Cb 0.48 -1.51 0.33 0.00 -0.64 0.00 0.00 41.12 39.79 1inz n ASP 118 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1inz n GLN 119 N 3.66 4.13 -0.67 -1.24 10.64 -1.26 -4.27 117.38 128.37 1inz n GLN 119 Ca 0.60 -2.88 0.06 0.00 -1.83 0.00 0.00 57.00 52.96 1inz n GLN 119 Cb 0.30 -2.19 0.32 0.00 -0.86 0.00 0.00 30.24 27.81 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 0.27 2.58 0.12 2.61 0.00 -1.26 -4.26 105.19 105.25 1inz n GLY 120 Ca 0.31 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 3.22 1.19 -0.97 1.61 3.04 -1.94 -3.18 116.25 119.23 1inz h VAL 121 Ca 0.00 -2.47 0.32 0.00 -1.01 0.00 0.00 66.70 63.54 1inz h VAL 121 Cb 1.58 2.88 -0.18 0.00 -2.01 0.00 0.00 31.29 33.57 1inz h VAL 121 CO 0.35 0.72 0.22 -3.20 -1.01 0.00 0.00 177.57 174.65 1inz n ASN 122 N -3.96 0.06 -0.04 3.17 5.15 -1.26 -0.60 115.26 117.79 1inz n ASN 122 Ca -0.21 1.63 -0.15 0.00 -0.60 0.00 0.00 54.58 55.25 1inz n ASN 122 Cb 0.90 -0.67 -0.13 0.00 -0.53 0.00 0.00 39.78 39.35 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1inz h VAL 123 N 0.00 1.69 -0.78 3.44 2.07 -1.88 -2.95 116.25 117.85 1inz h VAL 123 Ca 0.68 -2.26 0.15 0.00 0.82 0.00 0.00 66.70 66.09 1inz h VAL 123 Cb 1.59 3.21 -0.15 0.00 -1.52 0.00 0.00 31.29 34.42 1inz h VAL 123 CO -0.85 0.60 -0.24 -0.09 0.02 0.00 0.00 177.57 177.02 1inz h ARG 124 N -0.79 -0.03 -0.09 1.57 1.12 -0.82 0.61 114.38 115.95 1inz h ARG 124 Ca -0.03 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.67 1inz h ARG 124 Cb 1.09 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.05 1inz h ARG 124 CO 0.03 -0.02 -0.66 1.05 -3.11 0.00 0.00 179.97 177.26 1inz h GLU 125 N -0.03 0.36 0.40 0.20 4.11 -1.45 -2.91 114.58 115.26 1inz h GLU 125 Ca 0.35 -0.27 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1inz h GLU 125 Cb 0.58 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1inz h GLU 125 CO -0.81 0.89 -0.23 -0.22 0.07 0.00 0.00 179.01 178.71 1inz h LYS 126 N 0.25 -0.58 -0.72 1.06 3.11 -0.73 -1.06 116.57 117.91 1inz h LYS 126 Ca -0.02 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1inz h LYS 126 Cb 1.21 0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 32.54 1inz h LYS 126 CO 0.11 -0.39 0.47 0.00 -2.81 0.00 0.00 179.45 176.84 1inz h ALA 127 N -0.02 0.91 -0.45 5.00 0.00 -1.38 -2.05 119.26 121.27 1inz h ALA 127 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1inz h ALA 127 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1inz h ALA 127 CO 0.05 0.32 0.27 -0.22 0.00 0.00 0.00 179.25 179.67 1inz h LYS 128 N 0.96 0.61 -0.47 0.00 3.64 -1.29 -2.47 116.57 117.54 1inz h LYS 128 Ca 0.27 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1inz h LYS 128 Cb -0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1inz h LYS 128 CO -0.06 0.43 0.06 1.96 -2.27 0.00 0.00 179.45 179.56 1inz h GLN 129 N 0.62 0.80 0.47 1.90 4.20 -0.47 -2.63 115.11 120.00 1inz h GLN 129 Ca 0.16 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1inz h GLN 129 Cb -0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1inz h GLN 129 CO -0.03 0.82 -0.31 1.25 -0.67 0.00 0.00 178.83 179.88 1inz h LEU 130 N 0.66 -0.80 -2.04 1.46 6.46 -1.21 -0.53 115.31 119.31 1inz h LEU 130 Ca 0.14 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 1inz h LEU 130 Cb 0.42 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1inz h LEU 130 CO 0.01 -0.48 0.36 0.58 -0.62 0.00 0.00 178.44 178.29 1inz h VAL 131 N -0.76 0.25 0.12 1.05 2.07 -1.50 -2.10 116.25 115.38 1inz h VAL 131 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1inz h VAL 131 Cb 0.63 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1inz h VAL 131 CO 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 1inz h ALA 132 N 1.49 -0.16 -0.83 1.67 0.00 -0.75 -1.56 119.26 119.13 1inz h ALA 132 Ca 0.11 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.01 1inz h ALA 132 Cb 0.83 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1inz h ALA 132 CO -0.00 -0.18 0.56 -0.07 0.00 0.00 0.00 179.25 179.55 1inz h LEU 133 N -0.97 0.36 0.02 0.00 3.38 -0.64 0.15 115.31 117.61 1inz h LEU 133 Ca -0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1inz h LEU 133 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1inz h LEU 133 CO 0.03 0.16 -0.01 -0.07 0.09 0.00 0.00 178.44 178.64 1inz h LEU 134 N 0.37 -0.02 -4.43 1.67 4.07 -1.53 -3.35 115.31 112.09 1inz h LEU 134 Ca 0.42 -0.10 -0.52 0.00 0.08 0.00 0.00 57.88 57.76 1inz h LEU 134 Cb 1.07 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.63 1inz h LEU 134 CO -0.14 0.53 0.50 -1.14 -1.08 0.00 0.00 178.44 177.11 1inz n ARG 135 N -4.78 2.38 0.03 1.13 0.63 -0.59 -4.48 116.66 110.99 1inz n ARG 135 Ca -0.01 -2.43 -0.22 0.00 -0.92 0.00 0.00 57.85 54.27 1inz n ARG 135 Cb 0.06 -2.10 -0.14 0.00 0.45 0.00 0.00 32.46 30.73 1inz n ARG 135 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1inz h ASP 136 N 2.75 0.45 -5.12 6.15 3.58 -1.11 -3.46 116.42 119.67 1inz h ASP 136 Ca 0.41 -0.88 -0.66 0.00 0.42 0.00 0.00 57.03 56.31 1inz h ASP 136 Cb 0.66 -0.15 -0.12 0.00 1.72 0.00 0.00 39.33 41.44 1inz h ASP 136 CO 0.96 1.62 -0.47 -1.84 -2.88 0.00 0.00 179.24 176.63 1inz n GLU 137 N -3.89 0.75 -2.51 0.28 0.00 -1.26 -5.10 120.64 108.91 1inz n GLU 137 Ca -0.23 -3.73 -0.25 0.00 0.00 0.00 0.00 57.16 52.95 1inz n GLU 137 Cb 0.93 0.95 0.13 0.00 0.00 0.00 0.00 31.44 33.45 1inz n GLU 137 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1inz s ASP 138 N -3.86 4.06 -0.23 -1.84 -4.77 -1.26 -4.95 116.67 103.82 1inz s ASP 138 Ca 0.03 -0.35 -0.34 0.00 -3.30 0.00 0.00 52.55 48.58 1inz s ASP 138 Cb -0.00 0.08 -0.11 0.00 -1.09 0.00 0.00 42.92 41.80 1inz s ASP 138 CO 0.02 -2.07 2.04 -1.14 0.70 0.00 0.00 175.17 174.72 1inz n ARG 139 N -3.01 1.62 -3.63 2.11 0.63 -1.26 -4.90 116.66 108.22 1inz n ARG 139 Ca 0.16 0.53 -0.04 0.00 -0.92 0.00 0.00 57.85 57.57 1inz n ARG 139 Cb 0.60 -2.62 -0.06 0.00 0.45 0.00 0.00 32.46 30.83 1inz n ARG 139 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1inz s LEU 140 N 5.96 -0.78 0.53 6.15 2.96 -1.26 -5.17 118.68 127.07 1inz s LEU 140 Ca 1.01 1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 56.13 1inz s LEU 140 Cb -0.74 2.10 0.02 0.00 0.50 0.00 0.00 46.19 48.07 1inz s LEU 140 CO 0.49 -0.19 0.78 -0.60 -1.32 0.00 0.00 176.35 175.51 1inz s ARG 141 N 1.69 2.74 -0.72 1.98 3.52 -1.26 -4.61 118.95 122.29 1inz s ARG 141 Ca -0.09 -0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1inz s ARG 141 Cb -0.05 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 1inz s ARG 141 CO -0.18 -0.60 0.64 -1.91 -0.81 0.00 0.00 175.30 172.44 1inz n GLU 142 N -2.33 -1.52 -3.17 5.12 0.00 -1.26 -5.00 120.64 112.48 1inz n GLU 142 Ca 0.05 0.72 -0.18 0.00 0.00 0.00 0.00 57.16 57.75 1inz n GLU 142 Cb 0.59 -4.63 -0.03 0.00 0.00 0.00 0.00 31.44 27.37 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 -2.56 0.96 0.00 5.31 -0.58 -1.26 -5.30 120.64 117.20 1inz n GLU 143 Ca -0.04 -3.31 0.02 0.00 -0.42 0.00 0.00 57.16 53.40 1inz n GLU 143 Cb 0.57 -1.67 0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52