#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 -0.83 -0.49 1.61 0.01 -1.26 -5.04 113.70 107.70 1inz s SER -2 Ca 0.00 1.34 0.02 0.00 1.31 0.00 0.00 55.95 58.63 1inz s SER -2 Cb 0.00 1.34 0.46 0.00 0.21 0.00 0.00 66.02 68.03 1inz s SER -2 CO 0.00 -0.21 1.64 -1.20 0.41 0.00 0.00 173.24 173.88 1inz n SER -1 N 4.03 6.35 -0.05 2.44 7.64 -1.26 -4.23 113.62 128.54 1inz n SER -1 Ca -0.19 -3.77 -0.11 0.00 1.01 0.00 0.00 58.87 55.81 1inz n SER -1 Cb 0.58 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 1inz n SER -1 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1inz n ARG 0 N -0.83 0.22 0.00 1.43 1.74 -1.26 -4.93 116.66 113.04 1inz n ARG 0 Ca 0.54 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 1inz n ARG 0 Cb 0.81 -0.87 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 1inz n ARG 0 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1inz n MET 1 N -3.48 2.00 -3.02 5.56 0.00 -1.26 -5.09 117.12 111.81 1inz n MET 1 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.41 1inz n MET 1 Cb 0.64 -0.77 0.01 0.00 0.00 0.00 0.00 33.22 33.09 1inz n MET 1 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1inz n SER 2 N -1.39 -7.15 -4.29 3.17 7.64 -1.26 -5.02 113.62 105.33 1inz n SER 2 Ca 0.00 0.68 -0.15 0.00 1.01 0.00 0.00 58.87 60.40 1inz n SER 2 Cb 0.27 -3.61 -0.10 0.00 -1.01 0.00 0.00 64.21 59.77 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 -1.62 1.00 -0.44 0.44 2.01 -1.26 -5.06 115.64 110.71 1inz s THR 3 Ca 0.12 -2.03 -0.42 0.00 0.31 0.00 0.00 61.69 59.67 1inz s THR 3 Cb -0.02 -2.14 -0.17 0.00 0.01 0.00 0.00 72.50 70.18 1inz s THR 3 CO 0.57 -0.49 2.05 -1.20 -0.69 0.00 0.00 174.62 174.86 1inz n SER 4 N -0.31 1.28 -0.02 3.53 7.64 -1.26 -4.83 113.62 119.66 1inz n SER 4 Ca -0.07 0.72 -0.02 0.00 1.01 0.00 0.00 58.87 60.51 1inz n SER 4 Cb 0.63 -1.00 -0.01 0.00 -1.01 0.00 0.00 64.21 62.82 1inz n SER 4 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1inz n SER 5 N 7.41 0.45 -3.49 6.43 3.41 -1.26 -5.05 113.62 121.52 1inz n SER 5 Ca 0.46 0.15 0.01 0.00 -0.26 0.00 0.00 58.87 59.23 1inz n SER 5 Cb 0.04 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 1inz n SER 5 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1inz s LEU 6 N -5.61 -0.75 1.30 1.04 2.96 -1.26 -5.16 118.68 111.20 1inz s LEU 6 Ca -0.06 1.04 -0.18 0.00 -0.22 0.00 0.00 54.13 54.72 1inz s LEU 6 Cb 0.01 1.87 0.32 0.00 0.50 0.00 0.00 46.19 48.89 1inz s LEU 6 CO 0.09 -0.15 0.89 -2.11 -1.32 0.00 0.00 176.35 173.76 1inz n ARG 7 N 5.07 -3.48 -4.40 1.98 1.85 -1.26 -5.05 116.66 111.37 1inz n ARG 7 Ca -0.10 -1.01 -0.21 0.00 -1.00 0.00 0.00 57.85 55.53 1inz n ARG 7 Cb 0.52 -2.03 -0.09 0.00 -1.05 0.00 0.00 32.46 29.81 1inz n ARG 7 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1inz s ARG 8 N -4.57 1.67 -1.15 2.89 1.81 -1.26 -5.07 118.95 113.27 1inz s ARG 8 Ca 0.67 -1.97 -0.07 0.00 -1.72 0.00 0.00 55.73 52.65 1inz s ARG 8 Cb -0.20 -0.39 0.26 0.00 -0.45 0.00 0.00 34.95 34.17 1inz s ARG 8 CO 0.62 -0.39 1.55 0.94 -0.68 0.00 0.00 175.30 177.34 1inz n GLN 9 N -0.68 4.06 0.00 3.54 7.27 -1.26 -4.80 117.38 125.51 1inz n GLN 9 Ca -0.02 -4.20 0.00 0.00 0.07 0.00 0.00 57.00 52.85 1inz n GLN 9 Cb 0.65 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.63 1inz n GLN 9 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1inz n MET 10 N 2.49 0.00 -0.08 3.69 2.81 -1.26 -4.76 117.12 120.02 1inz n MET 10 Ca 0.30 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 56.05 1inz n MET 10 Cb 0.35 -0.07 -0.05 0.00 -0.71 0.00 0.00 33.22 32.74 1inz n MET 10 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1inz h LYS 11 N 0.00 0.81 -5.60 0.03 1.57 -2.07 -3.41 116.57 107.90 1inz h LYS 11 Ca 0.00 -0.50 -0.62 0.00 -1.87 0.00 0.00 60.65 57.66 1inz h LYS 11 Cb 0.00 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.25 1inz h LYS 11 CO 0.00 1.13 0.24 1.21 -0.57 0.00 0.00 179.45 181.46 1inz s ASN 12 N -6.83 6.52 0.00 0.86 3.84 -1.26 -4.93 114.94 113.14 1inz s ASN 12 Ca -0.11 0.39 0.00 0.00 0.21 0.00 0.00 52.86 53.35 1inz s ASN 12 Cb 0.09 -2.36 0.00 0.00 -0.55 0.00 0.00 41.25 38.44 1inz s ASN 12 CO 0.87 -0.58 0.00 -0.38 -2.79 0.00 0.00 177.10 174.22 1inz n ILE 13 N 5.54 0.00 -3.73 -5.21 2.08 -1.26 -4.64 119.36 112.14 1inz n ILE 13 Ca 0.01 0.09 -0.24 0.00 0.56 0.00 0.00 62.75 63.17 1inz n ILE 13 Cb 0.48 -0.93 -0.17 0.00 -0.75 0.00 0.00 39.64 38.27 1inz n ILE 13 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1inz s VAL 14 N -0.36 0.29 -0.10 1.39 -7.23 -1.26 -5.03 120.40 108.08 1inz s VAL 14 Ca 0.00 -0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 1inz s VAL 14 Cb 0.00 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1inz s VAL 14 CO 0.00 0.08 -0.23 1.41 -0.31 0.00 0.00 175.10 176.05 1inz n HIS 15 N 5.16 0.00 -2.84 2.82 8.25 -1.26 -5.03 115.22 122.32 1inz n HIS 15 Ca -0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1inz n HIS 15 Cb 0.49 -0.33 0.01 0.00 1.12 0.00 0.00 29.99 31.28 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 -5.61 -0.57 0.52 0.41 0.01 -1.26 -5.17 114.94 103.28 1inz s ASN 16 Ca -0.19 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1inz s ASN 16 Cb 0.03 0.73 0.02 0.00 0.41 0.00 0.00 41.25 42.43 1inz s ASN 16 CO 0.28 -0.06 0.75 -0.31 -1.51 0.00 0.00 177.10 176.26 1inz s TYR 17 N 1.85 3.02 0.00 2.20 1.51 -1.26 -5.03 117.35 119.65 1inz s TYR 17 Ca 0.16 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 1inz s TYR 17 Cb 0.02 -2.60 0.00 0.00 -0.11 0.00 0.00 41.96 39.28 1inz s TYR 17 CO -0.13 -0.69 0.00 -1.13 -1.11 0.00 0.00 175.55 172.49 1inz n SER 18 N -2.28 0.04 -3.99 2.29 3.41 -1.26 -5.03 113.62 106.80 1inz n SER 18 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.36 1inz n SER 18 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1inz n GLU 19 N -2.23 -4.40 -0.04 4.33 -0.58 -1.26 -4.86 120.64 111.60 1inz n GLU 19 Ca 0.00 0.50 -0.16 0.00 -0.42 0.00 0.00 57.16 57.09 1inz n GLU 19 Cb 0.02 -5.18 -0.07 0.00 -0.57 0.00 0.00 31.44 25.64 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1inz h ALA 20 N 0.92 0.29 -1.38 0.62 0.00 -1.96 -3.07 119.26 114.68 1inz h ALA 20 Ca -0.60 -0.50 0.43 0.00 0.00 0.00 0.00 54.91 54.24 1inz h ALA 20 Cb 1.38 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 1inz h ALA 20 CO 0.68 0.48 0.92 1.05 0.00 0.00 0.00 179.25 182.38 1inz h GLU 21 N 0.32 0.09 0.00 0.00 4.11 -1.87 0.17 114.58 117.41 1inz h GLU 21 Ca -0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1inz h GLU 21 Cb 1.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1inz h GLU 21 CO 0.11 0.06 -0.00 0.82 0.07 0.00 0.00 179.01 180.07 1inz h ILE 22 N 0.10 1.75 -0.90 -1.06 1.08 -1.91 -2.80 117.51 113.76 1inz h ILE 22 Ca 0.79 -2.30 0.26 0.00 -0.39 0.00 0.00 64.86 63.22 1inz h ILE 22 Cb 2.61 3.30 -0.04 0.00 -3.07 0.00 0.00 36.82 39.62 1inz h ILE 22 CO -0.30 0.59 0.76 0.11 -0.69 0.00 0.00 178.15 178.62 1inz h LYS 23 N -0.99 0.00 0.07 2.37 6.56 -0.62 0.44 116.57 124.40 1inz h LYS 23 Ca -0.00 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.30 1inz h LYS 23 Cb 0.97 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.61 1inz h LYS 23 CO 0.00 0.00 -1.51 0.28 -2.06 0.00 0.00 179.45 176.16 1inz h VAL 24 N 0.00 1.14 -0.56 0.50 2.07 -1.28 -2.85 116.25 115.27 1inz h VAL 24 Ca 0.43 -2.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.07 1inz h VAL 24 Cb 1.94 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 34.36 1inz h VAL 24 CO -0.00 0.77 0.24 -0.09 0.02 0.00 0.00 177.57 178.51 1inz h ARG 25 N 0.04 0.82 -0.02 1.57 2.43 0.13 -2.27 114.38 117.09 1inz h ARG 25 Ca -0.23 -0.14 -0.19 0.00 -0.81 0.00 0.00 59.98 58.62 1inz h ARG 25 Cb 1.97 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 1inz h ARG 25 CO 0.13 0.69 -0.82 0.93 -1.51 0.00 0.00 179.97 179.40 1inz h GLU 26 N 0.76 0.25 0.00 0.20 5.08 -1.48 -3.04 114.58 116.34 1inz h GLU 26 Ca 0.19 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1inz h GLU 26 Cb 0.16 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1inz h GLU 26 CO -0.02 0.94 -0.07 0.00 -1.00 0.00 0.00 179.01 178.85 1inz h ALA 27 N 0.99 1.20 -2.46 3.43 0.00 -1.24 -3.30 119.26 117.87 1inz h ALA 27 Ca -0.04 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 1inz h ALA 27 Cb 1.42 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.79 1inz h ALA 27 CO 0.13 0.09 -0.81 0.25 0.00 0.00 0.00 179.25 178.91 1inz n THR 28 N -3.46 0.47 0.00 0.00 -2.24 -0.88 -4.90 114.28 103.27 1inz n THR 28 Ca -0.02 -4.34 0.00 0.00 -2.27 0.00 0.00 64.05 57.42 1inz n THR 28 Cb 0.21 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 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 1.87 0.00 -3.81 3.42 2.88 -1.24 -4.87 113.62 111.87 1inz n SER 29 Ca 0.25 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.49 1inz n SER 29 Cb 0.44 0.07 -0.14 0.00 -0.75 0.00 0.00 64.21 63.82 1inz n SER 29 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1inz s ASN 30 N 0.20 4.10 0.21 -3.46 3.04 -1.26 -5.01 114.94 112.77 1inz s ASN 30 Ca 0.00 -2.17 -0.32 0.00 0.04 0.00 0.00 52.86 50.41 1inz s ASN 30 Cb 0.00 -1.15 -0.14 0.00 -1.54 0.00 0.00 41.25 38.42 1inz s ASN 30 CO 0.00 -0.35 1.33 -0.90 -3.04 0.00 0.00 177.10 174.14 1inz n ASP 31 N 4.17 2.27 -3.25 -4.21 5.75 -1.26 -4.93 116.55 115.08 1inz n ASP 31 Ca 0.03 1.14 -0.27 0.00 -0.01 0.00 0.00 54.79 55.68 1inz n ASP 31 Cb 0.39 -1.35 0.26 0.00 -1.03 0.00 0.00 41.12 39.39 1inz n ASP 31 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1inz n PRO 32 N 2.00 -4.25 0.00 0.11 -0.02 -1.26 -4.99 135.00 126.59 1inz n PRO 32 Ca 0.13 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 60.33 1inz n PRO 32 Cb 0.29 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -5.51 -1.44 -0.79 6.00 7.02 -1.26 -4.73 117.44 116.73 1inz n TRP 33 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 1inz n TRP 33 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.12 1.00 3.02 6.99 0.00 -1.26 -4.59 105.19 110.47 1inz n GLY 34 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 2.78 -3.09 -2.25 1.61 -0.04 -1.26 -4.98 135.00 127.77 1inz n PRO 35 Ca 0.00 -1.49 -0.28 0.00 -0.04 0.00 0.00 63.50 61.68 1inz n PRO 35 Cb 0.00 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.01 1inz n PRO 35 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1inz n SER 36 N -4.74 5.26 -3.76 3.54 7.64 -1.26 -4.62 113.62 115.67 1inz n SER 36 Ca 0.13 -3.75 -0.28 0.00 1.01 0.00 0.00 58.87 55.98 1inz n SER 36 Cb 0.52 -0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 1inz n SER 36 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1inz s SER 37 N -3.16 3.85 0.11 6.43 0.01 -1.26 -5.02 113.70 114.66 1inz s SER 37 Ca 0.50 -3.48 -0.04 0.00 1.31 0.00 0.00 55.95 54.25 1inz s SER 37 Cb 0.41 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 65.37 1inz s SER 37 CO -0.16 -0.13 0.21 -1.20 0.41 0.00 0.00 173.24 172.36 1inz n SER 38 N 2.43 -0.59 -1.22 2.44 7.64 -1.26 -4.91 113.62 118.15 1inz n SER 38 Ca 0.20 -1.45 -0.07 0.00 1.01 0.00 0.00 58.87 58.56 1inz n SER 38 Cb 0.38 1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.55 1inz n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1inz n LEU 39 N 0.00 -0.51 -0.10 -3.43 7.94 -1.26 -4.70 117.00 114.94 1inz n LEU 39 Ca -0.02 0.18 -0.22 0.00 -1.11 0.00 0.00 56.01 54.83 1inz n LEU 39 Cb 0.16 -1.30 -0.12 0.00 0.53 0.00 0.00 43.42 42.70 1inz n LEU 39 CO 0.08 -0.36 -1.16 0.23 -1.11 0.00 0.00 177.39 175.06 1inz n MET 40 N -1.48 0.65 0.20 1.96 2.81 -1.26 -3.79 117.12 116.22 1inz n MET 40 Ca -0.07 0.25 0.04 0.00 -1.81 0.00 0.00 57.70 56.12 1inz n MET 40 Cb 0.23 -1.58 0.42 0.00 -0.71 0.00 0.00 33.22 31.58 1inz n MET 40 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1inz h SER 41 N -0.35 0.00 0.01 7.83 0.87 -1.98 -2.81 113.55 117.12 1inz h SER 41 Ca -0.55 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1inz h SER 41 Cb 1.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1inz h SER 41 CO -0.15 0.32 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.39 1inz h GLU 42 N 0.00 -0.02 -0.79 2.24 4.22 -1.95 -2.21 114.58 116.08 1inz h GLU 42 Ca -0.00 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.53 1inz h GLU 42 Cb 0.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1inz h GLU 42 CO 0.04 0.63 0.52 0.82 -2.18 0.00 0.00 179.01 178.84 1inz h ILE 43 N -0.69 0.96 -0.06 2.32 2.04 -1.64 -1.99 117.51 118.45 1inz h ILE 43 Ca -0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1inz h ILE 43 Cb 0.66 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1inz h ILE 43 CO 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 178.15 178.23 1inz h ALA 44 N 1.60 0.08 -0.04 1.87 0.00 -1.51 -2.40 119.26 118.85 1inz h ALA 44 Ca 0.36 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1inz h ALA 44 Cb 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1inz h ALA 44 CO -0.14 -0.11 0.34 -0.44 0.00 0.00 0.00 179.25 178.90 1inz h ASP 45 N -0.31 0.00 0.45 0.00 5.19 -0.73 0.27 116.42 121.29 1inz h ASP 45 Ca 0.01 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.11 1inz h ASP 45 Cb 0.58 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.10 1inz h ASP 45 CO 0.02 0.00 -1.42 -0.07 -3.12 0.00 0.00 179.24 174.64 1inz h LEU 46 N 0.00 0.55 -0.80 1.55 3.38 -0.89 -3.29 115.31 115.80 1inz h LEU 46 Ca 0.02 -0.64 0.14 0.00 0.09 0.00 0.00 57.88 57.49 1inz h LEU 46 Cb 0.69 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1inz h LEU 46 CO -0.00 1.51 0.37 0.71 0.09 0.00 0.00 178.44 181.12 1inz h THR 47 N 0.10 0.70 -0.92 0.22 1.35 -0.13 0.16 112.91 114.38 1inz h THR 47 Ca -0.21 -0.18 0.26 0.00 -0.55 0.00 0.00 66.41 65.73 1inz h THR 47 Cb 2.05 0.11 -0.15 0.00 -1.73 0.00 0.00 68.15 68.44 1inz h THR 47 CO 0.21 0.10 0.32 1.88 -0.25 0.00 0.00 175.52 177.78 1inz h TYR 48 N 0.54 0.50 -0.85 4.73 0.05 -1.62 -3.26 116.97 117.06 1inz h TYR 48 Ca 0.44 0.05 -0.36 0.00 0.05 0.00 0.00 58.73 58.90 1inz h TYR 48 Cb 0.64 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.25 1inz h TYR 48 CO -0.13 -0.21 0.90 -0.80 -1.05 0.00 0.00 178.16 176.87 1inz s ASN 49 N -5.03 5.41 0.00 3.88 -0.87 0.55 -4.84 114.94 114.04 1inz s ASN 49 Ca -0.11 -0.78 0.00 0.00 -1.57 0.00 0.00 52.86 50.39 1inz s ASN 49 Cb 0.27 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.94 1inz s ASN 49 CO 0.78 -2.49 0.00 1.33 -2.57 0.00 0.00 177.10 174.15 1inz n VAL 50 N 7.65 0.00 0.13 1.60 0.24 -1.23 0.84 118.33 127.57 1inz n VAL 50 Ca 0.38 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.62 1inz n VAL 50 Cb 0.48 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 -0.77 3.34 2.07 -1.88 -3.15 116.25 115.85 1inz h VAL 51 Ca 0.00 -0.11 0.28 0.00 0.82 0.00 0.00 66.70 67.68 1inz h VAL 51 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 1inz h VAL 51 CO 0.00 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.83 1inz n ALA 52 N -2.27 0.62 0.26 1.67 0.00 0.25 0.64 120.51 121.68 1inz n ALA 52 Ca -0.04 0.81 -0.16 0.00 0.00 0.00 0.00 53.44 54.04 1inz n ALA 52 Cb 0.14 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.69 -0.50 0.00 3.57 -1.45 0.23 116.94 118.11 1inz h PHE 53 Ca 0.57 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.21 1inz h PHE 53 Cb 1.40 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 1inz h PHE 53 CO -0.18 -0.41 0.41 1.03 -2.23 0.00 0.00 178.31 176.94 1inz h SER 54 N -0.67 0.00 0.95 0.41 0.87 0.25 0.23 113.55 115.59 1inz h SER 54 Ca -0.05 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.29 1inz h SER 54 Cb 0.54 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1inz h SER 54 CO 0.06 0.00 -1.04 -0.33 -0.53 0.00 0.00 176.83 174.98 1inz h GLU 55 N 0.00 0.02 0.09 2.24 4.39 -0.67 -3.08 114.58 117.57 1inz h GLU 55 Ca 0.24 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1inz h GLU 55 Cb 1.06 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1inz h GLU 55 CO -0.00 1.00 -0.04 0.82 -1.16 0.00 0.00 179.01 179.62 1inz h ILE 56 N 0.01 0.00 -1.22 3.13 2.04 0.14 -3.13 117.51 118.47 1inz h ILE 56 Ca -0.03 -0.33 0.36 0.00 1.00 0.00 0.00 64.86 65.86 1inz h ILE 56 Cb 1.79 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 1inz h ILE 56 CO 0.13 0.00 0.82 0.24 0.00 0.00 0.00 178.15 179.34 1inz h MET 57 N -0.45 0.18 0.47 2.37 2.86 -1.44 -1.07 114.93 117.85 1inz h MET 57 Ca -0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1inz h MET 57 Cb 0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1inz h MET 57 CO 0.02 0.12 -0.30 0.77 1.06 0.00 0.00 176.91 178.58 1inz h SER 58 N 0.18 -0.77 -0.00 1.22 0.02 -1.60 0.38 113.55 112.98 1inz h SER 58 Ca 0.69 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.68 1inz h SER 58 Cb 2.17 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.93 1inz h SER 58 CO -0.26 -0.46 0.10 0.24 -1.14 0.00 0.00 176.83 175.32 1inz h MET 59 N -0.73 0.00 0.01 3.45 2.86 -1.17 0.28 114.93 119.63 1inz h MET 59 Ca -0.06 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 1inz h MET 59 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1inz h MET 59 CO 0.06 0.00 -1.01 0.82 1.06 0.00 0.00 176.91 177.84 1inz h ILE 60 N 0.00 1.68 0.13 -1.22 2.04 -0.39 -3.05 117.51 116.70 1inz h ILE 60 Ca 0.00 -3.33 -0.19 0.00 1.00 0.00 0.00 64.86 62.34 1inz h ILE 60 Cb 0.21 2.83 0.02 0.00 -0.74 0.00 0.00 36.82 39.14 1inz h ILE 60 CO -0.00 0.95 -0.87 -0.50 0.00 0.00 0.00 178.15 177.74 1inz h TRP 61 N 0.01 0.50 -0.62 1.37 -0.00 0.11 -2.79 115.95 114.53 1inz h TRP 61 Ca -0.02 -0.37 0.04 0.00 -0.00 0.00 0.00 58.89 58.54 1inz h TRP 61 Cb 1.76 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 30.86 1inz h TRP 61 CO 0.01 1.33 0.36 0.87 -0.00 0.00 0.00 178.44 181.01 1inz h LYS 62 N -0.40 0.66 0.00 0.49 6.56 -1.50 0.52 116.57 122.90 1inz h LYS 62 Ca -0.16 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1inz h LYS 62 Cb 1.63 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 33.14 1inz h LYS 62 CO 0.13 0.44 0.00 0.54 -2.06 0.00 0.00 179.45 178.50 1inz n ARG 63 N -4.77 0.21 0.15 3.15 5.12 -1.15 -2.56 116.66 116.80 1inz n ARG 63 Ca 0.07 0.33 0.12 0.00 -1.93 0.00 0.00 57.85 56.44 1inz n ARG 63 Cb 0.12 -1.83 0.10 0.00 -1.16 0.00 0.00 32.46 29.70 1inz n ARG 63 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1inz h LEU 64 N 0.00 0.00 -3.93 0.55 3.38 -0.63 -2.83 115.31 111.85 1inz h LEU 64 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 1inz h LEU 64 Cb 0.50 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.96 1inz h LEU 64 CO 0.00 0.01 0.73 0.59 0.09 0.00 0.00 178.44 179.86 1inz n ASN 65 N -2.82 5.57 -2.58 -0.43 5.03 -0.76 -4.85 115.26 114.43 1inz n ASN 65 Ca 0.02 -3.63 0.00 0.00 0.87 0.00 0.00 54.58 51.84 1inz n ASN 65 Cb 0.53 -0.90 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 1inz n ASN 65 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1inz n ASP 66 N -0.95 -0.53 -3.65 6.41 8.00 -1.25 -5.07 116.55 119.51 1inz n ASP 66 Ca 0.59 -0.50 0.03 0.00 0.71 0.00 0.00 54.79 55.62 1inz n ASP 66 Cb 1.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 1inz n ASP 66 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1inz s HIS 67 N -0.77 -0.01 0.00 1.24 -3.43 -1.26 -5.02 115.29 106.04 1inz s HIS 67 Ca 0.00 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.23 1inz s HIS 67 Cb 0.00 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 1inz s HIS 67 CO 0.00 -0.09 0.00 0.41 -2.00 0.00 0.00 174.74 173.06 1inz n GLY 68 N -0.59 1.10 0.08 -1.38 0.00 -1.26 -3.81 105.19 99.33 1inz n GLY 68 Ca -0.06 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 8.52 1.83 -0.37 1.61 4.81 -1.26 -4.59 118.16 128.70 1inz n LYS 69 Ca 0.00 -0.44 -0.02 0.00 -0.87 0.00 0.00 58.31 56.98 1inz n LYS 69 Cb 0.00 -0.91 0.11 0.00 0.02 0.00 0.00 35.03 34.26 1inz n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1inz n ASN 70 N -0.27 2.95 0.32 3.14 3.02 -1.25 -4.36 115.26 118.81 1inz n ASN 70 Ca 0.01 -2.44 0.13 0.00 -0.03 0.00 0.00 54.58 52.26 1inz n ASN 70 Cb 0.07 -0.59 0.72 0.00 -0.61 0.00 0.00 39.78 39.37 1inz n ASN 70 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1inz h TRP 71 N 0.99 0.00 -1.49 3.10 5.08 -1.81 -1.99 115.95 119.84 1inz h TRP 71 Ca 0.10 0.00 0.45 0.00 1.08 0.00 0.00 58.89 60.52 1inz h TRP 71 Cb 1.30 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.37 1inz h TRP 71 CO 0.47 0.00 1.02 0.07 -1.28 0.00 0.00 178.44 178.72 1inz h ARG 72 N 0.00 0.06 -0.07 0.12 0.11 -1.98 0.50 114.38 113.11 1inz h ARG 72 Ca 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1inz h ARG 72 Cb 0.75 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.82 1inz h ARG 72 CO 0.00 0.04 -0.03 0.45 0.10 0.00 0.00 179.97 180.53 1inz h HIS 73 N 0.06 0.16 -0.27 4.08 3.86 -1.66 -2.88 115.15 118.51 1inz h HIS 73 Ca 0.80 -0.04 0.06 0.00 -1.16 0.00 0.00 60.37 60.03 1inz h HIS 73 Cb 2.84 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 31.22 1inz h HIS 73 CO -0.00 0.51 -0.12 0.28 0.86 0.00 0.00 177.93 179.47 1inz h VAL 74 N -0.23 0.62 -0.00 2.45 2.07 0.25 -0.24 116.25 121.18 1inz h VAL 74 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1inz h VAL 74 Cb 0.47 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1inz h VAL 74 CO 0.01 0.00 -0.49 0.22 0.02 0.00 0.00 177.57 177.33 1inz h TYR 75 N -0.07 -1.44 -0.18 1.57 3.20 -1.45 0.27 116.97 118.87 1inz h TYR 75 Ca 0.14 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1inz h TYR 75 Cb 0.28 0.63 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1inz h TYR 75 CO -0.31 -0.55 0.21 0.87 -1.64 0.00 0.00 178.16 176.74 1inz h LYS 76 N -0.64 0.00 -0.05 1.82 1.57 -1.24 -0.05 116.57 117.98 1inz h LYS 76 Ca 0.03 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 1inz h LYS 76 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1inz h LYS 76 CO -0.35 0.00 -0.75 0.00 -0.57 0.00 0.00 179.45 177.78 1inz h ALA 77 N 1.75 0.61 -0.31 3.86 0.00 0.13 -3.02 119.26 122.28 1inz h ALA 77 Ca 0.09 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1inz h ALA 77 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1inz h ALA 77 CO -0.00 0.79 -0.12 0.52 0.00 0.00 0.00 179.25 180.44 1inz h MET 78 N 0.22 0.53 0.59 0.00 2.86 0.48 -2.61 114.93 116.99 1inz h MET 78 Ca -0.03 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1inz h MET 78 Cb 1.32 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.93 1inz h MET 78 CO 0.12 0.64 -0.28 1.15 1.06 0.00 0.00 176.91 179.60 1inz h THR 79 N 0.49 0.04 -0.43 2.22 2.02 -1.47 -2.67 112.91 113.12 1inz h THR 79 Ca 0.09 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 66.93 1inz h THR 79 Cb 0.49 0.06 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 1inz h THR 79 CO 0.03 0.01 -0.36 0.25 0.37 0.00 0.00 175.52 175.82 1inz h LEU 80 N -1.20 -1.20 -1.45 2.58 5.85 -1.54 0.31 115.31 118.66 1inz h LEU 80 Ca -0.08 0.20 0.22 0.00 0.84 0.00 0.00 57.88 59.06 1inz h LEU 80 Cb 0.62 0.55 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1inz h LEU 80 CO 0.13 -0.33 0.62 -0.03 -0.34 0.00 0.00 178.44 178.49 1inz h MET 81 N -0.26 0.42 0.23 1.25 4.05 -1.53 -1.69 114.93 117.40 1inz h MET 81 Ca 0.17 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1inz h MET 81 Cb 0.56 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1inz h MET 81 CO -0.57 0.28 -0.11 1.49 0.23 0.00 0.00 176.91 178.23 1inz h GLU 82 N 0.43 -0.30 -1.12 0.39 4.81 -0.08 -1.68 114.58 117.04 1inz h GLU 82 Ca 0.51 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 60.12 1inz h GLU 82 Cb 1.23 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.54 1inz h GLU 82 CO -0.21 -0.20 0.68 -0.92 -0.73 0.00 0.00 179.01 177.63 1inz h TYR 83 N -0.60 0.74 0.02 0.92 5.03 -0.94 0.43 116.97 122.57 1inz h TYR 83 Ca -0.03 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 1inz h TYR 83 Cb 0.23 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 1inz h TYR 83 CO 0.05 -0.19 -0.97 -0.07 -1.32 0.00 0.00 178.16 175.65 1inz h LEU 84 N 0.21 0.40 -1.68 2.82 3.38 -1.35 -2.40 115.31 116.69 1inz h LEU 84 Ca 0.76 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 58.42 1inz h LEU 84 Cb 2.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1inz h LEU 84 CO -0.52 1.16 0.48 0.40 0.09 0.00 0.00 178.44 180.06 1inz h ILE 85 N 0.15 0.07 0.00 1.22 2.04 0.86 0.35 117.51 122.19 1inz h ILE 85 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1inz h ILE 85 Cb 1.63 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1inz h ILE 85 CO 0.16 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.60 1inz n LYS 86 N -2.99 0.00 0.13 2.37 4.76 -1.18 -3.84 118.16 117.41 1inz n LYS 86 Ca 0.01 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1inz n LYS 86 Cb 0.55 -0.03 0.48 0.00 -1.84 0.00 0.00 35.03 34.19 1inz n LYS 86 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1inz n THR 87 N -1.48 1.15 -0.06 -0.18 5.66 -0.91 -1.82 114.28 116.63 1inz n THR 87 Ca 0.00 0.61 -0.11 0.00 -3.05 0.00 0.00 64.05 61.50 1inz n THR 87 Cb 0.00 -1.59 0.08 0.00 -1.55 0.00 0.00 70.33 67.26 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 -1.09 3.18 0.65 1.09 0.00 0.12 -4.41 105.19 104.74 1inz n GLY 88 Ca -0.01 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.17 -3.53 0.00 1.61 2.88 -0.76 -3.58 113.62 110.08 1inz n SER 89 Ca 0.27 0.70 0.05 0.00 -1.33 0.00 0.00 58.87 58.56 1inz n SER 89 Cb 0.98 -2.04 0.25 0.00 -0.75 0.00 0.00 64.21 62.64 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 -2.74 0.10 -0.03 -1.46 1.02 -1.26 -2.50 120.64 113.77 1inz n GLU 90 Ca -0.03 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.17 1inz n GLU 90 Cb 0.28 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.79 -0.48 3.49 2.47 -1.90 -1.82 114.38 116.92 1inz h ARG 91 Ca 0.00 -0.62 -0.01 0.00 -1.26 0.00 0.00 59.98 58.09 1inz h ARG 91 Cb 0.12 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1inz h ARG 91 CO 0.00 1.23 0.26 0.28 0.56 0.00 0.00 179.97 182.30 1inz h VAL 92 N 0.53 1.15 -0.02 2.04 2.07 -1.54 -1.55 116.25 118.93 1inz h VAL 92 Ca -0.04 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 66.92 1inz h VAL 92 Cb 1.34 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1inz h VAL 92 CO 0.15 0.17 -0.62 -1.28 0.02 0.00 0.00 177.57 176.01 1inz h SER 93 N 0.67 0.57 -0.84 0.57 0.87 -1.64 -2.93 113.55 110.83 1inz h SER 93 Ca 0.17 -0.74 0.08 0.00 -1.23 0.00 0.00 61.79 60.07 1inz h SER 93 Cb 0.03 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 1inz h SER 93 CO -0.03 1.24 0.54 1.56 -0.53 0.00 0.00 176.83 179.61 1inz h GLN 94 N -0.04 0.84 -0.58 2.24 1.08 -0.96 -0.75 115.11 116.94 1inz h GLN 94 Ca -0.07 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 1inz h GLN 94 Cb 1.32 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 1inz h GLN 94 CO 0.12 0.55 0.09 0.37 -0.95 0.00 0.00 178.83 179.02 1inz h GLN 95 N 0.86 0.96 -0.85 1.46 5.75 -1.29 -2.27 115.11 119.73 1inz h GLN 95 Ca 0.37 -0.26 0.11 0.00 -0.15 0.00 0.00 58.65 58.73 1inz h GLN 95 Cb 0.32 -0.11 -0.08 0.00 1.07 0.00 0.00 27.48 28.68 1inz h GLN 95 CO -0.14 0.91 0.48 0.00 -2.65 0.00 0.00 178.83 177.43 1inz h LYS 97 N 0.76 0.46 0.00 0.00 6.56 -1.04 0.82 116.57 124.12 1inz h LYS 97 Ca 0.43 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 1inz h LYS 97 Cb 0.46 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1inz h LYS 97 CO -0.28 0.60 0.00 0.39 -2.06 0.00 0.00 179.45 178.09 1inz n GLU 98 N -4.20 0.20 -2.01 3.15 -0.58 0.55 -3.61 120.64 114.13 1inz n GLU 98 Ca 0.00 0.19 -0.02 0.00 -0.42 0.00 0.00 57.16 56.92 1inz n GLU 98 Cb 0.32 -1.74 0.06 0.00 -0.57 0.00 0.00 31.44 29.51 1inz n GLU 98 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1inz n ASN 99 N -2.09 1.91 0.24 1.62 4.13 0.89 -4.85 115.26 117.12 1inz n ASN 99 Ca 0.05 -2.51 0.08 0.00 1.68 0.00 0.00 54.58 53.89 1inz n ASN 99 Cb 0.39 -0.41 0.61 0.00 -1.54 0.00 0.00 39.78 38.83 1inz n ASN 99 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1inz h MET 100 N 1.82 0.00 0.00 3.52 2.86 0.55 -1.28 114.93 122.40 1inz h MET 100 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1inz h MET 100 Cb 1.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.14 1inz h MET 100 CO 0.22 0.13 -0.04 1.88 1.06 0.00 0.00 176.91 180.16 1inz h TYR 101 N 0.00 0.00 0.09 -0.22 0.05 -1.88 -1.18 116.97 113.83 1inz h TYR 101 Ca -0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.51 1inz h TYR 101 Cb 0.25 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.02 1inz h TYR 101 CO 0.00 0.04 -1.09 0.00 -1.05 0.00 0.00 178.16 176.06 1inz h ALA 102 N 1.96 0.01 0.00 3.88 0.00 -1.60 -1.35 119.26 122.15 1inz h ALA 102 Ca -0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 1inz h ALA 102 Cb 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1inz h ALA 102 CO 0.01 0.60 -0.48 0.28 0.00 0.00 0.00 179.25 179.66 1inz h VAL 103 N 0.17 0.99 0.00 0.00 2.07 -1.46 -3.13 116.25 114.88 1inz h VAL 103 Ca -0.16 -1.90 -0.15 0.00 0.82 0.00 0.00 66.70 65.31 1inz h VAL 103 Cb 1.78 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1inz h VAL 103 CO 0.21 0.47 -1.06 1.56 0.02 0.00 0.00 177.57 178.77 1inz h GLN 104 N 0.00 0.00 0.00 1.57 1.08 -1.27 -3.29 115.11 113.20 1inz h GLN 104 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1inz h GLN 104 Cb 1.10 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1inz h GLN 104 CO 0.06 0.43 -0.04 0.00 -0.95 0.00 0.00 178.83 178.33 1inz h THR 105 N 0.00 0.42 -0.66 -0.54 1.03 -1.18 -2.24 112.91 109.75 1inz h THR 105 Ca -0.10 -0.21 -0.07 0.00 -0.01 0.00 0.00 66.41 66.02 1inz h THR 105 Cb 1.54 1.15 -0.03 0.00 -1.07 0.00 0.00 68.15 69.74 1inz h THR 105 CO 0.06 0.04 0.12 -0.07 -0.01 0.00 0.00 175.52 175.66 1inz h LEU 106 N 0.00 1.03 -2.00 0.00 3.38 -1.65 -2.23 115.31 113.83 1inz h LEU 106 Ca -0.00 -0.25 0.19 0.00 0.09 0.00 0.00 57.88 57.90 1inz h LEU 106 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1inz h LEU 106 CO 0.01 1.02 0.47 0.50 0.09 0.00 0.00 178.44 180.53 1inz h LYS 107 N 1.00 0.00 0.00 1.13 3.64 -1.60 0.23 116.57 120.96 1inz h LYS 107 Ca 0.20 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.41 1inz h LYS 107 Cb 0.42 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1inz h LYS 107 CO 0.01 0.00 -1.04 -0.44 -2.27 0.00 0.00 179.45 175.71 1inz h ASP 108 N 0.00 0.00 -1.24 4.20 5.19 -1.53 -3.44 116.42 119.60 1inz h ASP 108 Ca 0.30 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.39 1inz h ASP 108 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1inz h ASP 108 CO -0.00 0.67 1.11 0.12 -3.12 0.00 0.00 179.24 178.02 1inz s PHE 109 N -2.86 1.16 -0.29 4.55 5.36 0.82 -4.88 117.98 121.84 1inz s PHE 109 Ca 0.00 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1inz s PHE 109 Cb 0.08 -3.60 0.09 0.00 -0.34 0.00 0.00 43.02 39.26 1inz s PHE 109 CO 0.79 -2.20 0.05 -0.65 -1.46 0.00 0.00 175.22 171.75 1inz s GLN 110 N 8.31 1.03 -0.13 10.12 -0.21 -1.26 -4.85 119.66 132.67 1inz s GLN 110 Ca 0.93 -1.16 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 1inz s GLN 110 Cb -0.15 -2.36 0.07 0.00 1.00 0.00 0.00 33.01 31.57 1inz s GLN 110 CO 0.19 -0.87 0.24 -0.47 -2.12 0.00 0.00 175.29 172.26 1inz s TYR 111 N 1.45 -0.36 -0.14 0.91 5.04 -1.26 -5.01 117.35 117.98 1inz s TYR 111 Ca 0.06 0.81 0.15 0.00 -2.44 0.00 0.00 57.07 55.65 1inz s TYR 111 Cb -0.18 -0.12 0.31 0.00 0.35 0.00 0.00 41.96 42.32 1inz s TYR 111 CO -0.17 -0.37 1.16 0.28 -1.34 0.00 0.00 175.55 175.11 1inz n VAL 112 N 5.34 1.75 -1.01 3.14 0.31 -1.26 -4.69 118.33 121.91 1inz n VAL 112 Ca -0.06 -2.32 0.12 0.00 -0.01 0.00 0.00 64.34 62.07 1inz n VAL 112 Cb 0.50 -0.13 -0.04 0.00 -0.91 0.00 0.00 33.84 33.26 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 -1.15 -5.46 -0.10 4.52 8.00 -1.26 0.01 116.55 121.10 1inz n ASP 113 Ca 0.15 0.52 -0.06 0.00 0.71 0.00 0.00 54.79 56.11 1inz n ASP 113 Cb 0.68 -3.26 0.01 0.00 -0.02 0.00 0.00 41.12 38.54 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 -1.06 0.09 -2.12 -1.24 0.11 -2.04 -3.27 114.38 104.84 1inz h ARG 114 Ca -0.02 -0.01 -0.56 0.00 0.10 0.00 0.00 59.98 59.50 1inz h ARG 114 Cb 1.23 -0.02 -0.41 0.00 1.11 0.00 0.00 29.97 31.88 1inz h ARG 114 CO 0.02 0.06 -0.89 -0.40 0.10 0.00 0.00 179.97 178.86 1inz n ASP 115 N -5.19 2.36 -2.98 0.08 5.68 -1.26 -5.08 116.55 110.16 1inz n ASP 115 Ca 0.01 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.08 1inz n ASP 115 Cb 0.18 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1inz n GLY 116 N 0.53 0.35 2.13 6.12 0.00 0.10 -4.95 105.19 109.46 1inz n GLY 116 Ca 0.27 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 3.01 -4.40 1.61 4.81 -1.26 -4.91 118.16 117.02 1inz n LYS 117 Ca 0.00 -3.64 -0.40 0.00 -0.87 0.00 0.00 58.31 53.40 1inz n LYS 117 Cb 0.00 -2.25 -0.07 0.00 0.02 0.00 0.00 35.03 32.72 1inz n LYS 117 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1inz n ASP 118 N -0.85 -1.75 0.00 3.14 2.03 -1.26 -4.85 116.55 113.00 1inz n ASP 118 Ca 0.53 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.69 1inz n ASP 118 Cb 0.84 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 -3.92 0.00 -2.08 -0.67 1.13 -1.26 -4.81 117.38 105.77 1inz n GLN 119 Ca 0.11 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.15 1inz n GLN 119 Cb 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.79 1inz n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1inz n GLY 120 N 3.77 -0.30 0.61 1.08 0.00 -1.26 -4.56 105.19 104.53 1inz n GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1inz n GLY 120 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1inz n VAL 121 N -2.23 0.00 -0.40 1.61 3.14 -1.26 -4.53 118.33 114.66 1inz n VAL 121 Ca -0.03 0.00 0.37 0.00 -2.96 0.00 0.00 64.34 61.72 1inz n VAL 121 Cb 0.39 -0.69 0.72 0.00 -1.06 0.00 0.00 33.84 33.21 1inz n VAL 121 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1inz h ASN 122 N 0.00 0.08 0.00 6.55 2.35 -1.97 -1.44 115.58 121.15 1inz h ASN 122 Ca 0.00 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1inz h ASN 122 Cb 0.64 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1inz h ASN 122 CO 0.00 -0.01 -0.27 0.58 -1.65 0.00 0.00 177.43 176.08 1inz h VAL 123 N 0.06 0.73 -0.62 2.81 2.07 -1.93 -3.05 116.25 116.32 1inz h VAL 123 Ca 0.66 -1.62 0.13 0.00 0.82 0.00 0.00 66.70 66.68 1inz h VAL 123 Cb 2.47 1.45 -0.12 0.00 -1.52 0.00 0.00 31.29 33.57 1inz h VAL 123 CO -0.08 0.25 -0.14 -0.09 0.02 0.00 0.00 177.57 177.53 1inz h ARG 124 N -1.00 0.01 0.25 1.57 1.12 -1.53 -1.53 114.38 113.27 1inz h ARG 124 Ca -0.05 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 1inz h ARG 124 Cb 0.61 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.57 1inz h ARG 124 CO -0.03 0.01 -0.12 0.93 -3.11 0.00 0.00 179.97 177.65 1inz h GLU 125 N 0.01 -0.32 -0.73 0.20 5.08 -1.47 -1.72 114.58 115.63 1inz h GLU 125 Ca 0.30 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.84 1inz h GLU 125 Cb 0.47 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 1inz h GLU 125 CO -0.63 -0.05 0.21 -0.22 -1.00 0.00 0.00 179.01 177.32 1inz h LYS 126 N -0.58 0.31 -0.39 2.33 3.11 -1.32 -1.08 116.57 118.95 1inz h LYS 126 Ca -0.03 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.70 1inz h LYS 126 Cb 0.42 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1inz h LYS 126 CO 0.06 0.20 -0.08 0.00 -2.81 0.00 0.00 179.45 176.82 1inz h ALA 127 N 1.58 0.53 -0.52 5.00 0.00 -1.25 -2.94 119.26 121.66 1inz h ALA 127 Ca 0.41 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1inz h ALA 127 Cb 0.67 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1inz h ALA 127 CO -0.47 0.38 -0.41 -0.22 0.00 0.00 0.00 179.25 178.54 1inz h LYS 128 N 0.55 -0.23 0.03 0.00 3.64 -0.24 -1.20 116.57 119.11 1inz h LYS 128 Ca 0.10 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1inz h LYS 128 Cb 0.59 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1inz h LYS 128 CO 0.04 -0.16 -0.07 0.37 -2.27 0.00 0.00 179.45 177.36 1inz h GLN 129 N -0.24 -0.14 -1.08 1.90 4.15 -1.50 -1.12 115.11 117.08 1inz h GLN 129 Ca 0.18 0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.92 1inz h GLN 129 Cb 0.57 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1inz h GLN 129 CO -0.65 -0.09 0.93 1.25 -1.93 0.00 0.00 178.83 178.35 1inz h LEU 130 N -0.14 0.00 0.05 -2.39 5.85 -1.06 0.48 115.31 118.10 1inz h LEU 130 Ca 0.02 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.42 1inz h LEU 130 Cb 0.16 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1inz h LEU 130 CO -0.05 0.00 -1.80 0.58 -0.34 0.00 0.00 178.44 176.83 1inz h VAL 131 N 0.00 0.79 0.60 1.05 2.07 -0.52 -3.30 116.25 116.93 1inz h VAL 131 Ca 0.51 -2.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 1inz h VAL 131 Cb 2.38 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 34.62 1inz h VAL 131 CO -0.01 0.65 -0.29 0.00 0.02 0.00 0.00 177.57 177.95 1inz h ALA 132 N 0.64 -0.80 -1.00 1.67 0.00 0.97 -2.92 119.26 117.82 1inz h ALA 132 Ca -0.33 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.56 1inz h ALA 132 Cb 2.02 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 20.02 1inz h ALA 132 CO 0.09 -0.81 0.61 1.25 0.00 0.00 0.00 179.25 180.40 1inz h LEU 133 N -1.09 0.77 0.13 0.00 6.46 -1.52 -0.78 115.31 119.27 1inz h LEU 133 Ca -0.08 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1inz h LEU 133 Cb 0.67 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.50 1inz h LEU 133 CO 0.13 0.29 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.85 1inz h LEU 134 N 0.76 -0.92 -6.42 2.25 -0.00 -1.62 -3.37 115.31 105.99 1inz h LEU 134 Ca 0.56 0.11 -0.59 0.00 -0.00 0.00 0.00 57.88 57.96 1inz h LEU 134 Cb 0.89 0.35 -0.38 0.00 -0.00 0.00 0.00 40.66 41.51 1inz h LEU 134 CO -0.35 -0.41 -0.95 -0.60 -0.00 0.00 0.00 178.44 176.13 1inz s ARG 135 N -6.01 0.83 0.00 1.13 3.52 -0.69 -5.02 118.95 112.72 1inz s ARG 135 Ca -0.16 -1.94 0.00 0.00 -0.13 0.00 0.00 55.73 53.50 1inz s ARG 135 Cb 0.08 -1.40 0.00 0.00 -1.56 0.00 0.00 34.95 32.07 1inz s ARG 135 CO 0.64 -1.35 0.00 -0.25 -0.81 0.00 0.00 175.30 173.54 1inz n ASP 136 N 3.11 0.00 -3.50 -2.12 8.00 -0.38 -4.82 116.55 116.83 1inz n ASP 136 Ca 0.26 0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.62 1inz n ASP 136 Cb 0.45 -0.25 0.23 0.00 -0.02 0.00 0.00 41.12 41.54 1inz n ASP 136 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1inz n GLU 137 N -1.63 -3.63 -3.36 -1.24 1.02 -1.26 -4.97 120.64 105.57 1inz n GLU 137 Ca 0.00 -1.07 -0.26 0.00 -0.02 0.00 0.00 57.16 55.81 1inz n GLU 137 Cb 0.00 -1.76 -0.08 0.00 -0.02 0.00 0.00 31.44 29.58 1inz n GLU 137 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1inz n ASP 138 N -3.88 1.98 -3.53 1.62 -0.08 -1.26 -5.10 116.55 106.31 1inz n ASP 138 Ca 0.09 -3.05 0.00 0.00 -1.51 0.00 0.00 54.79 50.32 1inz n ASP 138 Cb 0.50 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1inz n ASP 138 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1inz n ARG 139 N 1.29 0.99 -0.97 -0.67 1.74 -1.26 -4.91 116.66 112.87 1inz n ARG 139 Ca 0.26 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.29 1inz n ARG 139 Cb 0.46 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 32.20 1inz n ARG 139 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1inz n LEU 140 N 0.00 5.81 -4.51 0.55 -0.00 -1.26 -4.96 117.00 112.63 1inz n LEU 140 Ca 0.00 -3.24 -0.42 0.00 -0.00 0.00 0.00 56.01 52.35 1inz n LEU 140 Cb 0.00 -0.72 -0.06 0.00 -0.00 0.00 0.00 43.42 42.63 1inz n LEU 140 CO 0.00 0.83 1.98 -1.14 -0.00 0.00 0.00 177.39 179.05 1inz n ARG 141 N -0.24 0.97 -2.51 1.47 0.63 -1.26 -4.92 116.66 110.80 1inz n ARG 141 Ca 0.39 0.15 -0.24 0.00 -0.92 0.00 0.00 57.85 57.23 1inz n ARG 141 Cb 1.33 -2.77 0.11 0.00 0.45 0.00 0.00 32.46 31.58 1inz n ARG 141 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1inz s GLU 142 N 7.56 1.63 0.56 -0.14 2.56 -1.26 -4.96 118.70 124.64 1inz s GLU 142 Ca 1.09 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 55.05 1inz s GLU 142 Cb -0.60 -2.29 0.00 0.00 2.00 0.00 0.00 34.13 33.24 1inz s GLU 142 CO 0.38 -1.51 0.00 0.39 -0.56 0.00 0.00 175.26 173.97 1inz n GLU 143 N -2.91 -3.22 0.00 4.30 -0.58 -1.26 -5.28 120.64 111.69 1inz n GLU 143 Ca 0.15 2.53 0.00 0.00 -0.42 0.00 0.00 57.16 59.42 1inz n GLU 143 Cb 0.60 -3.80 0.00 0.00 -0.57 0.00 0.00 31.44 27.68 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52