#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inz n SER -2 N 0.00 0.76 -4.61 1.61 2.88 -1.26 -5.12 113.62 107.88 1inz n SER -2 Ca 0.00 -2.55 -0.38 0.00 -1.33 0.00 0.00 58.87 54.61 1inz n SER -2 Cb 0.00 -0.20 0.05 0.00 -0.75 0.00 0.00 64.21 63.31 1inz n SER -2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1inz n SER -1 N -0.29 0.77 -4.47 -3.46 7.64 -1.26 -4.96 113.62 107.58 1inz n SER -1 Ca 0.06 0.82 -0.36 0.00 1.01 0.00 0.00 58.87 60.39 1inz n SER -1 Cb 0.82 -1.38 -0.12 0.00 -1.01 0.00 0.00 64.21 62.52 1inz n SER -1 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1inz s ARG 0 N -2.69 3.70 0.09 1.43 3.00 -1.26 -5.09 118.95 118.12 1inz s ARG 0 Ca 0.75 -0.46 0.06 0.00 -1.00 0.00 0.00 55.73 55.07 1inz s ARG 0 Cb -0.42 -3.29 -0.04 0.00 0.00 0.00 0.00 34.95 31.20 1inz s ARG 0 CO 0.48 -0.11 -0.05 -1.64 0.00 0.00 0.00 175.30 173.98 1inz s MET 1 N 1.39 2.37 -0.15 5.12 -1.94 -1.26 -5.01 119.30 119.83 1inz s MET 1 Ca 0.05 -0.91 0.12 0.00 -1.71 0.00 0.00 55.69 53.25 1inz s MET 1 Cb -0.15 -2.44 0.62 0.00 2.01 0.00 0.00 34.83 34.88 1inz s MET 1 CO 0.03 0.53 1.47 0.43 -0.01 0.00 0.00 175.02 177.48 1inz n SER 2 N 0.70 4.40 -4.70 3.03 7.64 -1.26 -4.97 113.62 118.46 1inz n SER 2 Ca -0.12 -2.58 -0.39 0.00 1.01 0.00 0.00 58.87 56.79 1inz n SER 2 Cb 0.52 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1inz n SER 2 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1inz n THR 3 N 0.65 3.79 -0.08 0.44 5.66 -1.26 -4.89 114.28 118.58 1inz n THR 3 Ca 0.21 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.82 1inz n THR 3 Cb 0.89 -1.50 0.29 0.00 -1.55 0.00 0.00 70.33 68.47 1inz n THR 3 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1inz n SER 4 N -0.89 3.55 0.00 1.09 7.64 -1.26 -5.04 113.62 118.71 1inz n SER 4 Ca 0.12 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1inz n SER 4 Cb 0.45 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1inz n SER 4 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1inz n SER 5 N 1.45 0.00 -1.83 6.43 2.88 -1.26 -4.77 113.62 116.52 1inz n SER 5 Ca 0.22 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.61 1inz n SER 5 Cb 0.57 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 1inz n SER 5 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1inz n LEU 6 N 0.00 -1.19 0.00 2.46 7.99 -1.26 -4.92 117.00 120.08 1inz n LEU 6 Ca 0.00 0.27 -0.06 0.00 -0.01 0.00 0.00 56.01 56.21 1inz n LEU 6 Cb 0.00 -2.25 -0.01 0.00 -0.11 0.00 0.00 43.42 41.05 1inz n LEU 6 CO 0.00 -0.52 -0.04 0.54 -1.51 0.00 0.00 177.39 175.86 1inz n ARG 7 N -2.33 1.67 -3.86 3.23 1.74 -1.26 -5.17 116.66 110.68 1inz n ARG 7 Ca -0.16 -0.73 -0.13 0.00 -0.77 0.00 0.00 57.85 56.07 1inz n ARG 7 Cb 0.54 0.17 -0.01 0.00 -1.02 0.00 0.00 32.46 32.14 1inz n ARG 7 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1inz n ARG 8 N -0.36 0.83 -0.14 5.56 3.00 -1.26 -5.08 116.66 119.21 1inz n ARG 8 Ca -0.03 -2.57 -0.25 0.00 -0.00 0.00 0.00 57.85 55.00 1inz n ARG 8 Cb 0.13 2.67 -0.11 0.00 0.00 0.00 0.00 32.46 35.15 1inz n ARG 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1inz n GLN 9 N -0.55 0.61 -4.38 -0.14 1.13 -1.26 -4.99 117.38 107.80 1inz n GLN 9 Ca -0.02 0.21 -0.28 0.00 -1.94 0.00 0.00 57.00 54.97 1inz n GLN 9 Cb 0.58 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.31 1inz n GLN 9 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1inz s MET 10 N -2.51 1.56 0.22 -1.09 -1.94 -1.26 -5.04 119.30 109.23 1inz s MET 10 Ca -0.37 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.23 1inz s MET 10 Cb 0.12 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 35.02 1inz s MET 10 CO 0.54 0.44 0.00 1.63 -0.01 0.00 0.00 175.02 177.61 1inz n LYS 11 N 0.59 0.00 -3.98 2.03 5.02 -1.26 -5.02 118.16 115.54 1inz n LYS 11 Ca -0.15 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.83 1inz n LYS 11 Cb 0.54 -0.11 -0.14 0.00 -0.02 0.00 0.00 35.03 35.30 1inz n LYS 11 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1inz s ASN 12 N -5.19 4.64 0.18 4.39 2.47 -1.26 -5.09 114.94 115.09 1inz s ASN 12 Ca 0.00 -2.47 -0.30 0.00 0.42 0.00 0.00 52.86 50.51 1inz s ASN 12 Cb 0.00 -1.65 -0.08 0.00 -1.45 0.00 0.00 41.25 38.08 1inz s ASN 12 CO 0.00 -0.34 0.99 -0.63 -3.72 0.00 0.00 177.10 173.41 1inz s ILE 13 N 0.47 4.14 0.32 -5.21 1.09 -1.26 -5.04 121.20 115.71 1inz s ILE 13 Ca 0.13 1.94 -0.01 0.00 -1.10 0.00 0.00 60.65 61.61 1inz s ILE 13 Cb -0.22 -4.24 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 1inz s ILE 13 CO -0.05 0.38 0.55 0.54 -0.10 0.00 0.00 174.94 176.26 1inz s VAL 14 N -0.56 5.08 0.17 2.92 0.11 -1.26 -5.00 120.40 121.86 1inz s VAL 14 Ca 0.45 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1inz s VAL 14 Cb -0.26 -3.82 -0.12 0.00 -1.53 0.00 0.00 36.38 30.66 1inz s VAL 14 CO 0.33 -0.48 1.42 0.45 -3.33 0.00 0.00 175.10 173.49 1inz h HIS 15 N 1.09 0.52 -3.26 1.54 -0.00 -2.08 -3.40 115.15 109.57 1inz h HIS 15 Ca -0.49 -0.24 -0.62 0.00 -0.00 0.00 0.00 60.37 59.02 1inz h HIS 15 Cb 1.21 -0.08 -0.40 0.00 -0.00 0.00 0.00 27.41 28.14 1inz h HIS 15 CO 0.54 1.01 -0.73 -0.80 -0.00 0.00 0.00 177.93 177.95 1inz s ASN 16 N -6.98 4.13 0.51 2.45 -0.87 -1.26 -5.11 114.94 107.81 1inz s ASN 16 Ca -0.05 -2.23 -0.22 0.00 -1.57 0.00 0.00 52.86 48.79 1inz s ASN 16 Cb 0.10 -1.19 -0.07 0.00 -0.02 0.00 0.00 41.25 40.06 1inz s ASN 16 CO 0.84 -0.34 1.13 0.00 -2.57 0.00 0.00 177.10 176.16 1inz n TYR 17 N 4.10 1.54 0.34 2.20 0.18 -1.26 -4.88 117.16 119.37 1inz n TYR 17 Ca 0.03 0.48 0.10 0.00 1.88 0.00 0.00 57.90 60.40 1inz n TYR 17 Cb 0.38 -2.27 0.27 0.00 -0.38 0.00 0.00 39.34 37.35 1inz n TYR 17 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1inz n SER 18 N -0.29 3.04 -0.93 9.48 7.64 -1.26 -4.90 113.62 126.40 1inz n SER 18 Ca 0.10 -1.96 -0.11 0.00 1.01 0.00 0.00 58.87 57.92 1inz n SER 18 Cb 0.43 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.18 -1.62 -0.04 1.43 -0.58 -1.26 -4.81 120.64 114.95 1inz n GLU 19 Ca 0.19 0.79 -0.15 0.00 -0.42 0.00 0.00 57.16 57.57 1inz n GLU 19 Cb 0.51 -5.05 -0.13 0.00 -0.57 0.00 0.00 31.44 26.20 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 0.22 -0.01 -1.19 0.62 0.00 -1.90 -2.93 119.26 114.06 1inz h ALA 20 Ca -0.22 -0.52 0.34 0.00 0.00 0.00 0.00 54.91 54.51 1inz h ALA 20 Cb 1.02 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1inz h ALA 20 CO 0.32 0.07 0.83 1.05 0.00 0.00 0.00 179.25 181.52 1inz h GLU 21 N -0.81 0.12 0.16 0.00 4.11 -1.86 0.11 114.58 116.40 1inz h GLU 21 Ca -0.03 -0.01 -0.22 0.00 0.07 0.00 0.00 59.36 59.17 1inz h GLU 21 Cb 1.10 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.35 1inz h GLU 21 CO 0.03 0.08 -0.97 0.82 0.07 0.00 0.00 179.01 179.04 1inz h ILE 22 N 0.12 1.45 -0.27 -1.06 2.04 -1.91 -2.92 117.51 114.96 1inz h ILE 22 Ca 0.61 -2.57 0.07 0.00 1.00 0.00 0.00 64.86 63.97 1inz h ILE 22 Cb 2.15 3.16 -0.01 0.00 -0.74 0.00 0.00 36.82 41.37 1inz h ILE 22 CO -0.12 0.74 0.19 0.11 0.00 0.00 0.00 178.15 179.07 1inz h LYS 23 N -0.26 0.05 0.04 2.37 1.79 -0.64 -2.36 116.57 117.56 1inz h LYS 23 Ca -0.17 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.20 1inz h LYS 23 Cb 1.76 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 32.40 1inz h LYS 23 CO 0.17 0.04 -0.39 0.28 -1.08 0.00 0.00 179.45 178.47 1inz h VAL 24 N 0.06 1.58 -1.01 0.50 2.07 -1.33 -2.63 116.25 115.50 1inz h VAL 24 Ca 0.13 -2.22 0.24 0.00 0.82 0.00 0.00 66.70 65.67 1inz h VAL 24 Cb 0.44 3.02 -0.12 0.00 -1.52 0.00 0.00 31.29 33.10 1inz h VAL 24 CO -0.01 0.61 0.60 -0.09 0.02 0.00 0.00 177.57 178.71 1inz h ARG 25 N -0.54 0.57 0.02 1.57 1.12 -1.22 0.13 114.38 116.03 1inz h ARG 25 Ca -0.06 -0.03 -0.25 0.00 -1.11 0.00 0.00 59.98 58.52 1inz h ARG 25 Cb 1.22 -0.13 0.01 0.00 -0.01 0.00 0.00 29.97 31.06 1inz h ARG 25 CO 0.07 0.38 -1.03 1.49 -3.11 0.00 0.00 179.97 177.77 1inz h GLU 26 N 0.59 0.55 0.00 0.20 4.22 -1.55 -1.99 114.58 116.60 1inz h GLU 26 Ca 0.63 -0.62 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1inz h GLU 26 Cb 1.21 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1inz h GLU 26 CO -0.45 1.24 0.00 0.00 -2.18 0.00 0.00 179.01 177.61 1inz n ALA 27 N -2.60 1.38 -0.07 2.92 0.00 0.32 -2.28 120.51 120.18 1inz n ALA 27 Ca -0.09 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1inz n ALA 27 Cb 0.88 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 1inz n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1inz n THR 28 N -2.02 0.95 0.00 0.00 -2.24 -0.43 -4.66 114.28 105.89 1inz n THR 28 Ca 0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1inz n THR 28 Cb 0.13 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1inz n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1inz n SER 29 N -2.53 0.00 -3.11 3.42 7.64 -0.76 -4.24 113.62 114.03 1inz n SER 29 Ca -0.23 0.12 -0.03 0.00 1.01 0.00 0.00 58.87 59.74 1inz n SER 29 Cb 0.94 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 64.14 1inz n SER 29 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1inz n ASN 30 N -0.57 -1.60 -3.68 6.43 6.94 -1.12 -4.82 115.26 116.84 1inz n ASN 30 Ca 0.00 -1.84 -0.15 0.00 -0.02 0.00 0.00 54.58 52.58 1inz n ASN 30 Cb 0.00 2.59 -0.08 0.00 -2.36 0.00 0.00 39.78 39.93 1inz n ASN 30 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 1inz s ASP 31 N -3.24 -0.43 0.00 0.53 1.47 -1.26 -4.72 116.67 109.01 1inz s ASP 31 Ca 0.21 0.58 0.00 0.00 1.18 0.00 0.00 52.55 54.52 1inz s ASP 31 Cb -0.03 0.63 0.00 0.00 -0.34 0.00 0.00 42.92 43.18 1inz s ASP 31 CO 0.05 -0.39 0.00 -0.81 0.68 0.00 0.00 175.17 174.70 1inz n PRO 32 N 1.74 1.17 -3.88 2.11 -0.04 -1.26 -5.09 135.00 129.76 1inz n PRO 32 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1inz n PRO 32 Cb 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 1inz n PRO 32 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1inz n TRP 33 N -0.64 -1.05 0.00 0.54 8.01 -1.26 -5.06 117.44 117.99 1inz n TRP 33 Ca 0.00 -2.32 0.00 0.00 -1.31 0.00 0.00 57.50 53.87 1inz n TRP 33 Cb 0.00 0.38 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1inz n GLY 34 N -0.55 0.93 0.00 6.99 0.00 -1.26 -4.95 105.19 106.35 1inz n GLY 34 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1inz n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1inz n PRO 35 N 0.03 -0.22 -3.95 1.61 -0.04 -1.26 -5.02 135.00 126.15 1inz n PRO 35 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1inz n PRO 35 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1inz n PRO 35 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1inz s SER 36 N -1.72 6.20 -0.18 3.54 1.04 -1.26 -5.01 113.70 116.30 1inz s SER 36 Ca 0.00 0.22 0.18 0.00 0.48 0.00 0.00 55.95 56.84 1inz s SER 36 Cb 0.00 -1.87 -0.26 0.00 0.10 0.00 0.00 66.02 63.99 1inz s SER 36 CO 0.00 0.18 0.13 -1.20 0.98 0.00 0.00 173.24 173.33 1inz n SER 37 N 0.40 0.02 -3.44 7.02 7.64 -1.26 -5.03 113.62 118.97 1inz n SER 37 Ca -0.06 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.63 1inz n SER 37 Cb 0.51 1.08 0.03 0.00 -1.01 0.00 0.00 64.21 64.83 1inz n SER 37 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1inz n SER 38 N -2.70 -6.19 -0.00 6.43 2.88 -1.26 -4.92 113.62 107.85 1inz n SER 38 Ca -0.29 -0.71 -0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1inz n SER 38 Cb 1.09 -4.06 -0.01 0.00 -0.75 0.00 0.00 64.21 60.48 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 -3.19 0.00 0.18 2.46 0.00 -1.26 -4.55 117.00 110.63 1inz n LEU 39 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 55.84 1inz n LEU 39 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 43.42 43.98 1inz n LEU 39 CO 0.61 0.01 0.22 -0.03 0.00 0.00 0.00 177.39 178.20 1inz h MET 40 N 0.00 -0.50 -0.32 1.96 4.05 -1.94 -2.04 114.93 116.13 1inz h MET 40 Ca -0.01 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.54 1inz h MET 40 Cb 0.56 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1inz h MET 40 CO 0.00 -0.34 0.38 0.66 0.23 0.00 0.00 176.91 177.85 1inz h SER 41 N -1.09 0.00 0.07 1.39 4.64 -1.97 -1.76 113.55 114.83 1inz h SER 41 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1inz h SER 41 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1inz h SER 41 CO 0.09 0.00 -0.03 -0.33 -0.87 0.00 0.00 176.83 175.68 1inz h GLU 42 N 0.00 -0.09 -0.78 4.77 5.08 -1.79 -2.07 114.58 119.70 1inz h GLU 42 Ca 0.15 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 1inz h GLU 42 Cb 0.91 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 1inz h GLU 42 CO -0.00 0.47 0.52 0.82 -1.00 0.00 0.00 179.01 179.81 1inz h ILE 43 N -0.87 0.84 -0.00 3.13 2.04 -0.58 -1.51 117.51 120.55 1inz h ILE 43 Ca -0.01 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1inz h ILE 43 Cb 0.60 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1inz h ILE 43 CO 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 178.26 1inz h ALA 44 N 1.63 0.00 -0.08 1.87 0.00 -1.45 -2.62 119.26 118.61 1inz h ALA 44 Ca 0.38 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1inz h ALA 44 Cb 0.73 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1inz h ALA 44 CO -0.14 -0.20 0.35 -0.44 0.00 0.00 0.00 179.25 178.82 1inz h ASP 45 N -0.58 0.00 0.35 0.00 3.32 -0.60 0.29 116.42 119.19 1inz h ASP 45 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1inz h ASP 45 Cb 0.59 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.16 1inz h ASP 45 CO 0.00 0.00 -1.33 -0.07 -1.72 0.00 0.00 179.24 176.12 1inz h LEU 46 N 0.00 0.71 -0.78 1.55 3.38 -0.95 -3.28 115.31 115.95 1inz h LEU 46 Ca 0.04 -0.73 0.14 0.00 0.09 0.00 0.00 57.88 57.42 1inz h LEU 46 Cb 0.74 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1inz h LEU 46 CO -0.00 1.56 0.35 0.71 0.09 0.00 0.00 178.44 181.14 1inz h THR 47 N 0.16 0.69 -0.93 0.22 1.35 -0.12 0.12 112.91 114.40 1inz h THR 47 Ca -0.20 -0.17 0.27 0.00 -0.55 0.00 0.00 66.41 65.76 1inz h THR 47 Cb 2.02 0.14 -0.15 0.00 -1.73 0.00 0.00 68.15 68.43 1inz h THR 47 CO 0.24 0.09 0.34 1.88 -0.25 0.00 0.00 175.52 177.83 1inz h TYR 48 N 0.51 0.53 -0.92 4.73 0.05 -1.60 -3.25 116.97 117.02 1inz h TYR 48 Ca 0.43 0.05 -0.40 0.00 0.05 0.00 0.00 58.73 58.86 1inz h TYR 48 Cb 0.62 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 38.21 1inz h TYR 48 CO -0.14 -0.23 0.99 -0.80 -1.05 0.00 0.00 178.16 176.94 1inz s ASN 49 N -5.00 5.57 0.00 3.88 0.01 0.39 -4.84 114.94 114.95 1inz s ASN 49 Ca -0.11 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 1inz s ASN 49 Cb 0.28 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1inz s ASN 49 CO 0.78 -2.35 0.00 1.33 -1.51 0.00 0.00 177.10 175.35 1inz n VAL 50 N 7.53 0.00 0.26 1.60 0.24 -1.23 0.17 118.33 126.91 1inz n VAL 50 Ca 0.36 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.56 1inz n VAL 50 Cb 0.48 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 1inz n VAL 50 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1inz h VAL 51 N 0.00 0.00 -0.89 3.34 2.07 -1.88 -3.01 116.25 115.88 1inz h VAL 51 Ca 0.00 -0.09 0.23 0.00 0.82 0.00 0.00 66.70 67.66 1inz h VAL 51 Cb 0.00 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.60 1inz h VAL 51 CO 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.54 1inz n ALA 52 N -2.41 0.39 0.14 1.67 0.00 0.46 0.13 120.51 120.88 1inz n ALA 52 Ca -0.08 0.96 -0.13 0.00 0.00 0.00 0.00 53.44 54.19 1inz n ALA 52 Cb 0.27 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.65 -0.30 0.00 3.57 -1.40 0.89 116.94 119.06 1inz h PHE 53 Ca 0.51 0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.11 1inz h PHE 53 Cb 0.99 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1inz h PHE 53 CO -0.51 -0.35 0.26 1.03 -2.23 0.00 0.00 178.31 176.51 1inz h SER 54 N -0.48 0.00 1.25 0.41 0.87 -0.18 0.10 113.55 115.53 1inz h SER 54 Ca 0.01 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 1inz h SER 54 Cb 0.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1inz h SER 54 CO -0.10 0.00 -0.78 -0.33 -0.53 0.00 0.00 176.83 175.09 1inz h GLU 55 N 0.00 0.00 0.00 2.24 4.39 -0.22 -3.12 114.58 117.87 1inz h GLU 55 Ca 0.14 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1inz h GLU 55 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1inz h GLU 55 CO -0.00 0.45 -0.00 0.82 -1.16 0.00 0.00 179.01 179.12 1inz h ILE 56 N 0.00 0.00 -1.10 3.13 2.04 0.15 -3.12 117.51 118.62 1inz h ILE 56 Ca -0.05 -0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.13 1inz h ILE 56 Cb 1.45 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.40 1inz h ILE 56 CO 0.06 0.00 0.68 0.24 0.00 0.00 0.00 178.15 179.13 1inz h MET 57 N -0.00 0.30 0.46 2.37 2.86 -1.59 -0.50 114.93 118.83 1inz h MET 57 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1inz h MET 57 Cb 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1inz h MET 57 CO 0.00 0.20 -0.44 1.03 1.06 0.00 0.00 176.91 178.76 1inz h SER 58 N 0.31 -1.20 -0.01 1.22 0.87 -1.66 0.63 113.55 113.70 1inz h SER 58 Ca 0.70 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.36 1inz h SER 58 Cb 1.81 0.39 -0.00 0.00 -0.44 0.00 0.00 62.40 64.16 1inz h SER 58 CO -0.44 -0.59 0.04 0.24 -0.53 0.00 0.00 176.83 175.56 1inz h MET 59 N -0.89 0.00 0.00 2.24 2.07 -1.07 0.06 114.93 117.33 1inz h MET 59 Ca -0.06 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.39 1inz h MET 59 Cb 0.77 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.48 1inz h MET 59 CO -0.04 0.00 -0.83 0.82 1.07 0.00 0.00 176.91 177.92 1inz h ILE 60 N 0.00 1.56 0.01 -1.22 2.04 0.12 -3.04 117.51 116.99 1inz h ILE 60 Ca 0.01 -2.75 -0.00 0.00 1.00 0.00 0.00 64.86 63.12 1inz h ILE 60 Cb 0.09 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1inz h ILE 60 CO -0.00 0.79 -0.01 -0.50 0.00 0.00 0.00 178.15 178.43 1inz h TRP 61 N 0.03 -0.02 -0.35 1.37 -0.00 0.11 -1.92 115.95 115.17 1inz h TRP 61 Ca -0.02 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.95 1inz h TRP 61 Cb 1.46 0.01 -0.08 0.00 -0.00 0.00 0.00 29.16 30.55 1inz h TRP 61 CO 0.01 0.78 -0.19 0.87 -0.00 0.00 0.00 178.44 179.91 1inz h LYS 62 N -0.89 -0.13 0.00 0.49 6.56 -1.56 0.19 116.57 121.22 1inz h LYS 62 Ca -0.00 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.56 1inz h LYS 62 Cb 0.80 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1inz h LYS 62 CO 0.00 -0.09 -0.19 0.00 -2.06 0.00 0.00 179.45 177.12 1inz h ARG 63 N -0.13 0.00 0.00 3.15 2.47 -1.64 -2.57 114.38 115.65 1inz h ARG 63 Ca 0.18 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.83 1inz h ARG 63 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1inz h ARG 63 CO -0.43 0.19 -0.31 -0.07 0.56 0.00 0.00 179.97 179.91 1inz h LEU 64 N 0.00 0.00 -3.97 3.04 3.38 0.17 -2.92 115.31 115.00 1inz h LEU 64 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 1inz h LEU 64 Cb 0.60 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.05 1inz h LEU 64 CO 0.02 0.31 0.76 -3.20 0.09 0.00 0.00 178.44 176.42 1inz n ASN 65 N -3.53 5.81 -4.77 -0.43 2.85 -0.54 -4.76 115.26 109.90 1inz n ASN 65 Ca -0.00 -3.68 -0.38 0.00 -0.11 0.00 0.00 54.58 50.41 1inz n ASN 65 Cb 0.46 -0.91 -0.06 0.00 1.24 0.00 0.00 39.78 40.50 1inz n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1inz s ASP 66 N -1.53 7.38 0.19 1.20 1.11 -1.11 -5.04 116.67 118.87 1inz s ASP 66 Ca 0.60 1.92 -0.23 0.00 0.18 0.00 0.00 52.55 55.02 1inz s ASP 66 Cb 0.49 -2.59 0.06 0.00 1.07 0.00 0.00 42.92 41.94 1inz s ASP 66 CO 0.05 -0.04 0.70 -1.38 1.18 0.00 0.00 175.17 175.67 1inz s HIS 67 N -1.45 -0.37 0.00 4.23 -3.43 -1.26 -4.79 115.29 108.23 1inz s HIS 67 Ca 0.48 0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.80 1inz s HIS 67 Cb -0.22 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 1inz s HIS 67 CO 0.28 -0.96 0.00 0.41 -2.00 0.00 0.00 174.74 172.47 1inz n GLY 68 N -0.40 2.21 0.00 -1.38 0.00 -1.26 -4.73 105.19 99.63 1inz n GLY 68 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.80 1.61 4.76 -1.26 -5.05 118.16 114.42 1inz n LYS 69 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1inz n LYS 69 Cb 0.00 -0.06 -0.11 0.00 -1.84 0.00 0.00 35.03 33.02 1inz n LYS 69 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1inz s ASN 70 N -1.00 -0.19 0.00 4.39 3.84 -1.26 -5.01 114.94 115.71 1inz s ASN 70 Ca 0.00 0.30 0.22 0.00 0.21 0.00 0.00 52.86 53.59 1inz s ASN 70 Cb 0.00 0.41 1.33 0.00 -0.55 0.00 0.00 41.25 42.44 1inz s ASN 70 CO 0.00 -0.18 1.77 -2.67 -2.79 0.00 0.00 177.10 173.23 1inz n TRP 71 N 2.46 0.00 -0.32 0.43 4.27 -1.26 -3.99 117.44 119.03 1inz n TRP 71 Ca -0.16 0.00 0.22 0.00 -3.89 0.00 0.00 57.50 53.67 1inz n TRP 71 Cb 0.58 0.00 0.44 0.00 -1.36 0.00 0.00 31.31 30.96 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 0.00 0.17 -0.31 -2.67 3.08 -1.95 0.39 114.38 113.09 1inz h ARG 72 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1inz h ARG 72 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1inz h ARG 72 CO 0.00 0.11 -0.12 0.45 -1.07 0.00 0.00 179.97 179.34 1inz h HIS 73 N 0.18 0.72 -0.07 3.04 3.86 -1.74 -3.06 115.15 118.07 1inz h HIS 73 Ca 0.70 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.77 1inz h HIS 73 Cb 1.63 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.89 1inz h HIS 73 CO -0.13 0.84 -0.12 0.28 0.86 0.00 0.00 177.93 179.65 1inz h VAL 74 N 0.39 0.68 -0.01 2.45 2.07 -0.22 0.01 116.25 121.62 1inz h VAL 74 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1inz h VAL 74 Cb 0.63 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1inz h VAL 74 CO 0.04 0.00 -0.29 0.22 0.02 0.00 0.00 177.57 177.56 1inz h TYR 75 N -0.16 -0.87 -0.08 1.57 3.20 -1.32 0.28 116.97 119.59 1inz h TYR 75 Ca 0.07 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1inz h TYR 75 Cb 0.26 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 1inz h TYR 75 CO -0.21 -0.31 0.26 0.87 -1.64 0.00 0.00 178.16 177.12 1inz h LYS 76 N -0.36 0.00 -0.31 1.82 1.79 -1.42 0.10 116.57 118.18 1inz h LYS 76 Ca 0.01 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.33 1inz h LYS 76 Cb 0.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1inz h LYS 76 CO -0.20 0.00 -0.41 0.00 -1.08 0.00 0.00 179.45 177.76 1inz h ALA 77 N 1.56 0.70 -0.40 3.86 0.00 0.15 -2.90 119.26 122.24 1inz h ALA 77 Ca 0.04 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1inz h ALA 77 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1inz h ALA 77 CO -0.00 0.67 -0.20 0.52 0.00 0.00 0.00 179.25 180.24 1inz h MET 78 N 0.62 0.84 -0.45 0.00 2.86 -0.12 -2.87 114.93 115.80 1inz h MET 78 Ca 0.05 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1inz h MET 78 Cb 0.96 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1inz h MET 78 CO 0.09 1.00 0.25 1.15 1.06 0.00 0.00 176.91 180.46 1inz h THR 79 N 0.65 1.02 0.84 2.22 2.02 -1.49 -0.96 112.91 117.20 1inz h THR 79 Ca 0.09 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1inz h THR 79 Cb 0.75 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1inz h THR 79 CO 0.06 0.09 -0.48 0.25 0.37 0.00 0.00 175.52 175.81 1inz h LEU 80 N 0.51 -1.20 -2.05 2.58 5.85 -1.47 -0.72 115.31 118.80 1inz h LEU 80 Ca 0.19 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1inz h LEU 80 Cb 0.05 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1inz h LEU 80 CO -0.10 -0.76 0.34 -0.03 -0.34 0.00 0.00 178.44 177.54 1inz h MET 81 N -1.23 0.00 0.20 1.25 4.05 -1.38 0.31 114.93 118.12 1inz h MET 81 Ca -0.11 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.00 1inz h MET 81 Cb 0.97 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.80 1inz h MET 81 CO 0.14 0.00 -1.38 1.49 0.23 0.00 0.00 176.91 177.39 1inz h GLU 82 N 0.00 0.44 0.00 0.39 4.81 0.07 -2.93 114.58 117.35 1inz h GLU 82 Ca 0.06 -0.74 -0.06 0.00 -0.13 0.00 0.00 59.36 58.49 1inz h GLU 82 Cb 0.73 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1inz h GLU 82 CO -0.00 1.35 -0.36 -0.92 -0.73 0.00 0.00 179.01 178.35 1inz h TYR 83 N 0.12 0.00 0.00 0.92 5.03 0.39 -3.25 116.97 120.19 1inz h TYR 83 Ca -0.20 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.07 1inz h TYR 83 Cb 2.08 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.36 1inz h TYR 83 CO 0.10 0.27 -0.64 -0.07 -1.32 0.00 0.00 178.16 176.50 1inz h LEU 84 N 0.00 0.00 -0.20 2.82 3.38 -1.31 -2.53 115.31 117.47 1inz h LEU 84 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1inz h LEU 84 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1inz h LEU 84 CO 0.03 0.14 0.00 -0.38 0.09 0.00 0.00 178.44 178.33 1inz n ILE 85 N -2.93 0.62 -0.10 1.22 5.41 -1.11 0.57 119.36 123.04 1inz n ILE 85 Ca 0.00 -0.08 -0.20 0.00 1.00 0.00 0.00 62.75 63.47 1inz n ILE 85 Cb 0.61 -0.76 -0.08 0.00 -0.71 0.00 0.00 39.64 38.70 1inz n ILE 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1inz n LYS 86 N -2.13 0.44 0.00 0.38 0.00 -1.22 -4.52 118.16 111.11 1inz n LYS 86 Ca 0.05 0.17 0.03 0.00 0.00 0.00 0.00 58.31 58.56 1inz n LYS 86 Cb 0.35 -1.25 0.01 0.00 0.00 0.00 0.00 35.03 34.14 1inz n LYS 86 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1inz n THR 87 N -3.74 0.00 -0.50 3.15 5.66 -0.96 -4.58 114.28 113.31 1inz n THR 87 Ca -0.39 -0.46 -0.15 0.00 -3.05 0.00 0.00 64.05 60.00 1inz n THR 87 Cb 0.80 1.10 0.06 0.00 -1.55 0.00 0.00 70.33 70.74 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 0.58 3.69 0.46 1.09 0.00 0.19 -4.47 105.19 106.74 1inz n GLY 88 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.01 -2.49 0.00 1.61 2.88 -1.23 -3.85 113.62 110.53 1inz n SER 89 Ca 0.30 0.55 0.04 0.00 -1.33 0.00 0.00 58.87 58.43 1inz n SER 89 Cb 0.84 -0.80 0.18 0.00 -0.75 0.00 0.00 64.21 63.67 1inz n SER 89 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1inz n GLU 90 N -1.84 0.05 -0.03 -1.46 1.02 -1.26 -2.25 120.64 114.87 1inz n GLU 90 Ca -0.00 0.29 -0.14 0.00 -0.02 0.00 0.00 57.16 57.30 1inz n GLU 90 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 0.73 0.00 3.49 2.47 -1.91 -2.23 114.38 116.93 1inz h ARG 91 Ca 0.00 -0.51 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1inz h ARG 91 Cb 0.10 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1inz h ARG 91 CO 0.00 1.13 -0.00 0.28 0.56 0.00 0.00 179.97 181.94 1inz h VAL 92 N 0.54 0.89 0.19 2.04 2.07 -1.56 -2.12 116.25 118.30 1inz h VAL 92 Ca -0.01 -0.01 -0.34 0.00 0.82 0.00 0.00 66.70 67.16 1inz h VAL 92 Cb 1.23 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1inz h VAL 92 CO 0.13 0.00 -1.62 0.77 0.02 0.00 0.00 177.57 176.87 1inz h SER 93 N 0.00 0.63 0.63 0.57 4.64 -1.67 -3.15 113.55 115.20 1inz h SER 93 Ca -0.00 -0.83 -0.02 0.00 -0.47 0.00 0.00 61.79 60.46 1inz h SER 93 Cb 0.01 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1inz h SER 93 CO 0.00 1.69 -0.40 1.56 -0.87 0.00 0.00 176.83 178.81 1inz h GLN 94 N 0.11 -0.94 -0.88 4.77 4.20 -0.82 -1.70 115.11 119.84 1inz h GLN 94 Ca -0.29 0.06 0.18 0.00 0.06 0.00 0.00 58.65 58.66 1inz h GLN 94 Cb 2.10 0.21 -0.07 0.00 0.30 0.00 0.00 27.48 30.03 1inz h GLN 94 CO 0.20 -0.63 0.58 0.37 -0.67 0.00 0.00 178.83 178.69 1inz h GLN 95 N -0.97 0.49 -0.68 1.46 4.15 -1.56 0.94 115.11 118.93 1inz h GLN 95 Ca -0.08 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.39 1inz h GLN 95 Cb 0.79 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 1inz h GLN 95 CO 0.07 0.32 0.35 0.00 -1.93 0.00 0.00 178.83 177.64 1inz h LYS 97 N 0.61 0.35 0.00 0.00 3.64 -0.39 0.46 116.57 121.24 1inz h LYS 97 Ca 0.32 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1inz h LYS 97 Cb 0.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1inz h LYS 97 CO -0.24 0.54 0.00 0.93 -2.27 0.00 0.00 179.45 178.41 1inz h GLU 98 N 0.12 0.00 -0.18 1.90 4.39 -0.81 -2.46 114.58 117.53 1inz h GLU 98 Ca 0.06 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 1inz h GLU 98 Cb 0.38 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 28.80 1inz h GLU 98 CO 0.01 0.00 -0.77 -1.71 -1.16 0.00 0.00 179.01 175.38 1inz n ASN 99 N -2.47 2.07 0.26 1.42 4.05 0.79 -4.80 115.26 116.58 1inz n ASN 99 Ca -0.00 -3.17 0.09 0.00 0.45 0.00 0.00 54.58 51.96 1inz n ASN 99 Cb 0.15 -0.43 0.68 0.00 1.23 0.00 0.00 39.78 41.40 1inz n ASN 99 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 1inz h MET 100 N 1.38 0.00 0.00 1.20 2.86 0.39 -0.90 114.93 119.85 1inz h MET 100 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1inz h MET 100 Cb 1.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1inz h MET 100 CO 0.18 0.07 -0.17 1.88 1.06 0.00 0.00 176.91 179.93 1inz h TYR 101 N 0.00 0.00 0.04 -0.22 0.05 -1.85 -0.97 116.97 114.02 1inz h TYR 101 Ca -0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 1inz h TYR 101 Cb 0.13 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.90 1inz h TYR 101 CO 0.00 0.17 -1.02 0.00 -1.05 0.00 0.00 178.16 176.26 1inz h ALA 102 N 1.83 0.07 0.00 3.88 0.00 -1.53 -0.40 119.26 123.11 1inz h ALA 102 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 1inz h ALA 102 Cb 0.47 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1inz h ALA 102 CO 0.02 0.62 -0.53 0.28 0.00 0.00 0.00 179.25 179.64 1inz h VAL 103 N 0.25 1.09 0.00 0.00 2.07 -1.44 -3.16 116.25 115.06 1inz h VAL 103 Ca -0.14 -2.04 -0.21 0.00 0.82 0.00 0.00 66.70 65.13 1inz h VAL 103 Cb 1.70 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 1inz h VAL 103 CO 0.20 0.52 -1.25 1.56 0.02 0.00 0.00 177.57 178.62 1inz h GLN 104 N 0.00 0.00 -0.31 1.57 4.20 -1.20 -3.30 115.11 116.07 1inz h GLN 104 Ca -0.01 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1inz h GLN 104 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1inz h GLN 104 CO 0.07 0.59 0.40 0.00 -0.67 0.00 0.00 178.83 179.21 1inz h THR 105 N 0.00 0.32 -0.29 -0.54 1.03 -1.03 0.12 112.91 112.53 1inz h THR 105 Ca -0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 66.10 1inz h THR 105 Cb 1.75 0.67 -0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1inz h THR 105 CO 0.08 0.00 -0.48 -0.07 -0.01 0.00 0.00 175.52 175.05 1inz h LEU 106 N 0.00 0.85 -2.18 0.00 3.38 -1.69 0.82 115.31 116.49 1inz h LEU 106 Ca 0.15 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1inz h LEU 106 Cb 0.94 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1inz h LEU 106 CO -0.00 1.18 0.27 0.50 0.09 0.00 0.00 178.44 180.48 1inz h LYS 107 N 0.62 0.00 0.00 1.13 3.64 -0.90 -0.94 116.57 120.12 1inz h LYS 107 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1inz h LYS 107 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1inz h LYS 107 CO 0.10 0.00 -1.59 -0.25 -2.27 0.00 0.00 179.45 175.44 1inz n ASP 108 N -3.65 1.45 -4.55 4.20 9.92 -1.04 -4.88 116.55 117.99 1inz n ASP 108 Ca 0.02 -0.09 -0.25 0.00 -0.53 0.00 0.00 54.79 53.94 1inz n ASP 108 Cb 0.39 1.62 -0.05 0.00 -0.64 0.00 0.00 41.12 42.45 1inz n ASP 108 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1inz s PHE 109 N -2.98 1.09 0.08 1.24 5.36 0.26 -4.91 117.98 118.11 1inz s PHE 109 Ca -0.04 1.79 0.10 0.00 -0.96 0.00 0.00 56.93 57.81 1inz s PHE 109 Cb 0.10 -3.50 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 1inz s PHE 109 CO 0.63 -2.09 -0.26 -0.65 -1.46 0.00 0.00 175.22 171.40 1inz s GLN 110 N 8.59 1.68 -0.29 10.12 -0.21 -1.26 -4.93 119.66 133.36 1inz s GLN 110 Ca 0.96 -1.19 -0.02 0.00 0.02 0.00 0.00 55.36 55.13 1inz s GLN 110 Cb -0.15 -1.98 0.19 0.00 1.00 0.00 0.00 33.01 32.08 1inz s GLN 110 CO 0.18 0.49 0.80 -0.47 -2.12 0.00 0.00 175.29 174.17 1inz s TYR 111 N -0.92 -1.23 -0.22 0.91 5.04 -1.26 -5.03 117.35 114.63 1inz s TYR 111 Ca 0.13 0.74 0.13 0.00 -2.44 0.00 0.00 57.07 55.63 1inz s TYR 111 Cb -0.10 0.22 0.45 0.00 0.35 0.00 0.00 41.96 42.88 1inz s TYR 111 CO 0.04 -0.72 1.19 1.55 -1.34 0.00 0.00 175.55 176.27 1inz n VAL 112 N 5.29 1.96 -2.82 3.14 3.14 -1.26 -4.96 118.33 122.82 1inz n VAL 112 Ca 0.06 -3.33 0.06 0.00 -2.96 0.00 0.00 64.34 58.17 1inz n VAL 112 Cb 0.56 -0.26 -0.02 0.00 -1.06 0.00 0.00 33.84 33.06 1inz n VAL 112 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1inz n ASP 113 N -0.70 -4.54 -0.16 6.55 8.00 -1.26 -3.83 116.55 120.60 1inz n ASP 113 Ca 0.26 0.48 -0.02 0.00 0.71 0.00 0.00 54.79 56.22 1inz n ASP 113 Cb 0.87 -1.34 0.06 0.00 -0.02 0.00 0.00 41.12 40.69 1inz n ASP 113 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1inz h ARG 114 N 0.00 0.12 -2.86 -1.24 0.11 -2.05 -3.42 114.38 105.03 1inz h ARG 114 Ca 0.01 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 1inz h ARG 114 Cb 0.40 -0.03 -0.25 0.00 1.11 0.00 0.00 29.97 31.20 1inz h ARG 114 CO 0.00 0.08 -0.32 -0.51 0.10 0.00 0.00 179.97 179.32 1inz s ASP 115 N -5.25 -0.38 0.00 0.08 1.01 -1.25 -5.14 116.67 105.73 1inz s ASP 115 Ca -0.13 0.72 0.00 0.00 0.71 0.00 0.00 52.55 53.85 1inz s ASP 115 Cb 0.16 0.70 0.00 0.00 1.01 0.00 0.00 42.92 44.79 1inz s ASP 115 CO 0.72 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.58 1inz n GLY 116 N 3.20 -0.68 3.04 0.21 0.00 -1.25 -5.07 105.19 104.64 1inz n GLY 116 Ca -0.16 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.26 2.07 -0.91 1.61 -0.14 -1.26 -5.04 119.74 115.81 1inz s LYS 117 Ca 0.00 -1.31 -0.29 0.00 -1.36 0.00 0.00 55.97 53.01 1inz s LYS 117 Cb 0.00 -2.84 -0.20 0.00 -1.68 0.00 0.00 37.83 33.11 1inz s LYS 117 CO 0.00 -0.60 2.63 -3.47 -0.76 0.00 0.00 175.35 173.15 1inz n ASP 118 N 4.47 0.60 -0.04 2.83 2.03 -1.26 -4.69 116.55 120.49 1inz n ASP 118 Ca -0.13 0.03 0.10 0.00 0.52 0.00 0.00 54.79 55.31 1inz n ASP 118 Cb 0.42 -1.03 -0.11 0.00 -0.72 0.00 0.00 41.12 39.69 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 8.50 0.22 -1.76 -0.67 10.64 -1.26 -4.52 117.38 128.52 1inz n GLN 119 Ca 0.61 -0.08 -0.35 0.00 -1.83 0.00 0.00 57.00 55.34 1inz n GLN 119 Cb 0.13 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.00 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 1.48 4.81 0.13 2.61 0.00 -1.26 -4.49 105.19 108.47 1inz n GLY 120 Ca 0.04 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 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 1.72 1.67 -0.34 1.61 3.14 -1.26 -3.86 118.33 121.01 1inz n VAL 121 Ca 0.60 -0.39 0.13 0.00 -2.96 0.00 0.00 64.34 61.71 1inz n VAL 121 Cb 0.35 -1.86 0.26 0.00 -1.06 0.00 0.00 33.84 31.54 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 -0.39 -0.51 -0.43 6.55 2.35 -1.97 0.67 115.58 121.84 1inz h ASN 122 Ca -0.41 0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1inz h ASN 122 Cb 1.73 0.49 -0.02 0.00 0.05 0.00 0.00 38.32 40.57 1inz h ASN 122 CO -0.05 -0.34 -0.01 0.58 -1.65 0.00 0.00 177.43 175.96 1inz h VAL 123 N 0.02 1.26 0.15 2.81 2.07 -1.93 -0.65 116.25 119.98 1inz h VAL 123 Ca 0.57 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1inz h VAL 123 Cb 1.14 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1inz h VAL 123 CO -0.91 0.36 -0.11 -0.09 0.02 0.00 0.00 177.57 176.84 1inz h ARG 124 N 0.60 -0.24 -0.59 1.57 2.43 0.20 -1.81 114.38 116.54 1inz h ARG 124 Ca 0.12 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1inz h ARG 124 Cb 0.50 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1inz h ARG 124 CO 0.02 -0.16 0.38 0.93 -1.51 0.00 0.00 179.97 179.64 1inz h GLU 125 N -0.25 0.79 0.25 0.20 5.08 -1.39 -2.78 114.58 116.48 1inz h GLU 125 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1inz h GLU 125 Cb 0.20 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1inz h GLU 125 CO 0.01 0.53 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.10 1inz h LYS 126 N 0.81 -0.48 -0.94 2.33 1.63 -1.01 -1.03 116.57 117.88 1inz h LYS 126 Ca 0.22 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.11 1inz h LYS 126 Cb -0.08 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.60 1inz h LYS 126 CO -0.05 -0.32 0.60 0.00 -3.45 0.00 0.00 179.45 176.23 1inz h ALA 127 N 0.18 1.30 -0.32 5.00 0.00 -1.15 -0.96 119.26 123.32 1inz h ALA 127 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1inz h ALA 127 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1inz h ALA 127 CO -0.04 0.37 0.07 -0.22 0.00 0.00 0.00 179.25 179.43 1inz h LYS 128 N 1.09 0.46 -0.82 0.00 3.64 -1.17 -2.51 116.57 117.26 1inz h LYS 128 Ca 0.41 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1inz h LYS 128 Cb 0.17 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1inz h LYS 128 CO -0.17 0.43 0.37 0.37 -2.27 0.00 0.00 179.45 178.18 1inz h GLN 129 N 0.45 1.19 0.27 1.90 4.15 0.15 -0.35 115.11 122.88 1inz h GLN 129 Ca 0.11 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1inz h GLN 129 Cb 0.19 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1inz h GLN 129 CO -0.00 0.94 -0.13 1.25 -1.93 0.00 0.00 178.83 178.95 1inz h LEU 130 N 1.17 -0.31 -1.72 -2.39 6.46 -1.30 -2.49 115.31 114.73 1inz h LEU 130 Ca 0.28 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1inz h LEU 130 Cb 0.16 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1inz h LEU 130 CO -0.03 -0.12 -0.17 0.58 -0.62 0.00 0.00 178.44 178.09 1inz h VAL 131 N -0.49 0.69 0.40 1.05 2.07 -1.45 -2.79 116.25 115.73 1inz h VAL 131 Ca -0.04 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1inz h VAL 131 Cb 0.37 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1inz h VAL 131 CO 0.06 0.16 -0.19 0.00 0.02 0.00 0.00 177.57 177.62 1inz h ALA 132 N 1.83 -0.54 0.68 1.67 0.00 -0.69 -1.92 119.26 120.29 1inz h ALA 132 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1inz h ALA 132 Cb 0.42 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1inz h ALA 132 CO 0.02 -0.65 -0.33 -0.07 0.00 0.00 0.00 179.25 178.22 1inz h LEU 133 N -0.83 -0.77 -0.61 0.00 3.38 -1.40 -3.04 115.31 112.05 1inz h LEU 133 Ca -0.05 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1inz h LEU 133 Cb 0.54 0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 1inz h LEU 133 CO 0.09 -0.52 -0.26 -0.07 0.09 0.00 0.00 178.44 177.76 1inz h LEU 134 N -0.95 -0.92 -8.80 1.67 4.07 -1.58 -3.35 115.31 105.45 1inz h LEU 134 Ca -0.09 0.21 -0.66 0.00 0.08 0.00 0.00 57.88 57.42 1inz h LEU 134 Cb 0.71 0.50 -0.18 0.00 1.08 0.00 0.00 40.66 42.77 1inz h LEU 134 CO 0.15 -0.27 -0.49 -0.60 -1.08 0.00 0.00 178.44 176.15 1inz s ARG 135 N -6.10 3.70 0.00 1.13 6.06 -0.72 -4.82 118.95 118.19 1inz s ARG 135 Ca -0.14 -0.49 0.00 0.00 -2.50 0.00 0.00 55.73 52.59 1inz s ARG 135 Cb 0.17 -3.74 0.00 0.00 0.06 0.00 0.00 34.95 31.44 1inz s ARG 135 CO 0.71 -0.33 0.00 -3.47 -2.50 0.00 0.00 175.30 169.71 1inz n ASP 136 N 5.10 0.00 -4.80 -2.12 -0.08 -1.26 -4.58 116.55 108.81 1inz n ASP 136 Ca -0.13 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 52.93 1inz n ASP 136 Cb 0.51 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.92 1inz n ASP 136 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1inz s GLU 137 N -1.00 2.48 -0.12 -0.67 2.56 -1.26 -5.13 118.70 115.56 1inz s GLU 137 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 54.97 53.40 1inz s GLU 137 Cb 0.00 -2.27 0.05 0.00 2.00 0.00 0.00 34.13 33.91 1inz s GLU 137 CO 0.00 0.00 0.25 0.34 -0.56 0.00 0.00 175.26 175.29 1inz s ASP 138 N -3.96 0.01 0.02 -1.70 -1.08 -1.26 -5.07 116.67 103.63 1inz s ASP 138 Ca 0.41 0.55 -0.07 0.00 -0.52 0.00 0.00 52.55 52.93 1inz s ASP 138 Cb -0.03 0.53 -0.03 0.00 -1.46 0.00 0.00 42.92 41.93 1inz s ASP 138 CO 0.25 -0.20 1.10 -0.09 0.52 0.00 0.00 175.17 176.75 1inz h ARG 139 N 7.68 -0.15 -6.86 4.34 9.65 -2.00 -3.42 114.38 123.61 1inz h ARG 139 Ca -0.29 0.01 -0.36 0.00 -1.10 0.00 0.00 59.98 58.24 1inz h ARG 139 Cb 1.14 0.03 0.21 0.00 -1.39 0.00 0.00 29.97 29.96 1inz h ARG 139 CO 0.27 -0.10 -0.17 1.28 2.80 0.00 0.00 179.97 184.04 1inz n LEU 140 N -2.97 -0.66 0.00 3.80 7.99 -1.26 -4.98 117.00 118.92 1inz n LEU 140 Ca -0.02 -0.72 0.00 0.00 -0.01 0.00 0.00 56.01 55.26 1inz n LEU 140 Cb 0.08 -1.02 0.00 0.00 -0.11 0.00 0.00 43.42 42.37 1inz n LEU 140 CO 0.03 -4.31 -0.40 0.54 -1.51 0.00 0.00 177.39 171.75 1inz n ARG 141 N -5.26 1.35 -0.55 3.23 1.74 -1.26 -5.06 116.66 110.86 1inz n ARG 141 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1inz n ARG 141 Cb 0.57 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 1inz n ARG 141 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1inz n GLU 142 N -1.35 2.21 -2.44 5.56 0.28 -1.26 -5.08 120.64 118.56 1inz n GLU 142 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1inz n GLU 142 Cb 0.00 0.00 0.10 0.00 1.43 0.00 0.00 31.44 32.97 1inz n GLU 142 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1inz n GLU 143 N -0.40 1.04 0.00 3.44 4.07 -1.26 -5.13 120.64 122.40 1inz n GLU 143 Ca 0.00 -1.00 0.15 0.00 -0.06 0.00 0.00 57.16 56.25 1inz n GLU 143 Cb 0.00 0.29 0.77 0.00 -0.06 0.00 0.00 31.44 32.44 1inz n GLU 143 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61