#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 0.85 -0.48 1.61 1.04 -1.26 -5.07 113.70 110.38 1inz s SER -2 Ca 0.00 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.40 1inz s SER -2 Cb 0.00 -0.35 0.21 0.00 0.10 0.00 0.00 66.02 65.98 1inz s SER -2 CO 0.00 -0.10 0.84 -1.20 0.98 0.00 0.00 173.24 173.76 1inz n SER -1 N 4.29 -2.99 -4.20 7.02 7.64 -1.26 -5.16 113.62 118.97 1inz n SER -1 Ca -0.22 -2.74 -0.24 0.00 1.01 0.00 0.00 58.87 56.68 1inz n SER -1 Cb 0.50 1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 65.29 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 2.50 0.94 0.00 1.43 1.74 -1.26 -5.04 116.66 116.96 1inz n ARG 0 Ca 0.14 -2.86 0.09 0.00 -0.77 0.00 0.00 57.85 54.45 1inz n ARG 0 Cb 0.60 0.56 -0.01 0.00 -1.02 0.00 0.00 32.46 32.59 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 -1.25 1.52 -3.64 5.56 0.00 -1.26 -4.97 117.12 113.08 1inz n MET 1 Ca -0.10 -0.81 -0.09 0.00 0.00 0.00 0.00 57.70 56.71 1inz n MET 1 Cb 0.51 -1.34 -0.07 0.00 0.00 0.00 0.00 33.22 32.32 1inz n MET 1 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1inz s SER 2 N -2.12 -0.49 0.00 3.17 0.01 -1.26 -5.04 113.70 107.97 1inz s SER 2 Ca 0.14 0.92 0.03 0.00 1.31 0.00 0.00 55.95 58.34 1inz s SER 2 Cb 0.14 0.97 0.07 0.00 0.21 0.00 0.00 66.02 67.42 1inz s SER 2 CO 0.48 -0.16 1.06 0.35 0.41 0.00 0.00 173.24 175.38 1inz n THR 3 N 2.48 1.00 -2.44 1.44 -2.24 -1.26 -4.65 114.28 108.61 1inz n THR 3 Ca -0.13 -1.00 -0.09 0.00 -2.27 0.00 0.00 64.05 60.55 1inz n THR 3 Cb 0.56 0.50 0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1inz n THR 3 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1inz n SER 4 N -0.26 2.92 -2.64 3.42 7.64 -1.26 -5.08 113.62 118.37 1inz n SER 4 Ca 0.03 -2.80 -0.05 0.00 1.01 0.00 0.00 58.87 57.06 1inz n SER 4 Cb 0.29 -0.42 0.01 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.61 0.67 -4.72 6.43 3.41 -1.26 -5.14 113.62 112.40 1inz n SER 5 Ca 0.23 -1.35 -0.26 0.00 -0.26 0.00 0.00 58.87 57.22 1inz n SER 5 Cb 0.88 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.68 1inz n SER 5 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1inz s LEU 6 N 0.00 3.01 0.00 1.04 1.43 -1.26 -5.04 118.68 117.86 1inz s LEU 6 Ca 0.12 -1.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 1inz s LEU 6 Cb -0.01 -1.27 0.05 0.00 0.03 0.00 0.00 46.19 44.98 1inz s LEU 6 CO 0.07 -0.55 0.95 0.54 0.23 0.00 0.00 176.35 177.59 1inz n ARG 7 N -1.19 2.22 -1.75 1.70 1.74 -1.26 -5.04 116.66 113.08 1inz n ARG 7 Ca -0.03 -1.40 -0.40 0.00 -0.77 0.00 0.00 57.85 55.25 1inz n ARG 7 Cb 0.65 -1.05 0.02 0.00 -1.02 0.00 0.00 32.46 31.07 1inz n ARG 7 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1inz n ARG 8 N -0.23 2.13 -3.40 5.56 5.12 -1.26 -4.98 116.66 119.60 1inz n ARG 8 Ca 0.02 0.76 -0.27 0.00 -1.93 0.00 0.00 57.85 56.43 1inz n ARG 8 Cb 0.23 -2.58 -0.10 0.00 -1.16 0.00 0.00 32.46 28.86 1inz n ARG 8 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1inz s GLN 9 N -2.45 0.92 -0.13 5.56 0.74 -1.26 -4.93 119.66 118.10 1inz s GLN 9 Ca 0.62 -2.12 0.18 0.00 0.05 0.00 0.00 55.36 54.09 1inz s GLN 9 Cb -0.46 -1.44 -0.25 0.00 1.10 0.00 0.00 33.01 31.97 1inz s GLN 9 CO 0.57 -1.39 0.28 -1.33 -0.55 0.00 0.00 175.29 172.87 1inz n MET 10 N 2.85 0.67 -1.28 1.67 2.81 -1.26 -4.96 117.12 117.61 1inz n MET 10 Ca 0.30 0.04 -0.35 0.00 -1.81 0.00 0.00 57.70 55.87 1inz n MET 10 Cb 0.48 -1.59 0.09 0.00 -0.71 0.00 0.00 33.22 31.49 1inz n MET 10 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1inz n LYS 11 N -2.75 0.38 -2.85 0.03 2.85 -1.26 -4.97 118.16 109.60 1inz n LYS 11 Ca -0.25 0.18 -0.11 0.00 -1.05 0.00 0.00 58.31 57.08 1inz n LYS 11 Cb 1.04 -2.12 0.05 0.00 -0.65 0.00 0.00 35.03 33.35 1inz n LYS 11 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1inz n ASN 12 N -1.44 -0.45 -1.45 -5.58 6.94 -1.26 -5.13 115.26 106.89 1inz n ASN 12 Ca 0.12 -3.02 0.18 0.00 -0.02 0.00 0.00 54.58 51.83 1inz n ASN 12 Cb 0.50 0.43 -0.08 0.00 -2.36 0.00 0.00 39.78 38.26 1inz n ASN 12 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1inz n ILE 13 N 0.05 -0.51 -3.66 1.53 5.41 -1.26 -4.91 119.36 116.01 1inz n ILE 13 Ca 0.11 0.74 -0.23 0.00 1.00 0.00 0.00 62.75 64.37 1inz n ILE 13 Cb 0.74 -1.23 -0.17 0.00 -0.71 0.00 0.00 39.64 38.27 1inz n ILE 13 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1inz s VAL 14 N -3.83 -0.00 0.00 1.39 -7.23 -1.26 -5.14 120.40 104.33 1inz s VAL 14 Ca 0.00 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1inz s VAL 14 Cb 0.00 -0.44 0.00 0.00 0.56 0.00 0.00 36.38 36.50 1inz s VAL 14 CO 0.00 -0.04 0.00 1.57 -0.31 0.00 0.00 175.10 176.32 1inz n HIS 15 N 5.26 0.00 0.09 2.82 -0.00 -1.26 -4.98 115.22 117.14 1inz n HIS 15 Ca -0.06 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.09 1inz n HIS 15 Cb 0.49 0.00 0.18 0.00 -0.12 0.00 0.00 29.99 30.55 1inz n HIS 15 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1inz h ASN 16 N 0.00 0.26 -3.81 0.26 -0.73 -2.05 -3.43 115.58 106.08 1inz h ASN 16 Ca 0.00 -0.12 -0.50 0.00 1.87 0.00 0.00 56.30 57.54 1inz h ASN 16 Cb 0.00 -0.07 0.02 0.00 0.27 0.00 0.00 38.32 38.53 1inz h ASN 16 CO 0.00 0.70 0.47 -0.31 -0.37 0.00 0.00 177.43 177.93 1inz s TYR 17 N -4.01 3.57 -0.28 0.67 1.51 -1.26 -4.82 117.35 112.74 1inz s TYR 17 Ca -0.04 1.70 0.03 0.00 -1.01 0.00 0.00 57.07 57.74 1inz s TYR 17 Cb 0.13 -3.28 0.07 0.00 -0.11 0.00 0.00 41.96 38.76 1inz s TYR 17 CO 0.78 -0.56 0.94 0.45 -1.11 0.00 0.00 175.55 176.06 1inz n SER 18 N 1.16 1.98 -1.61 2.29 2.88 -1.26 -4.96 113.62 114.10 1inz n SER 18 Ca -0.01 -1.77 -0.15 0.00 -1.33 0.00 0.00 58.87 55.61 1inz n SER 18 Cb 0.45 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.81 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1inz n GLU 19 N -0.13 -1.45 0.00 -1.46 1.02 -1.26 -4.82 120.64 112.54 1inz n GLU 19 Ca 0.03 0.87 -0.10 0.00 -0.02 0.00 0.00 57.16 57.94 1inz n GLU 19 Cb 0.24 -5.21 -0.04 0.00 -0.02 0.00 0.00 31.44 26.40 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 0.62 0.03 -0.93 0.62 0.00 -1.93 -0.43 119.26 117.25 1inz h ALA 20 Ca -0.32 0.04 0.27 0.00 0.00 0.00 0.00 54.91 54.90 1inz h ALA 20 Cb 1.04 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1inz h ALA 20 CO 0.45 -0.52 0.78 1.05 0.00 0.00 0.00 179.25 181.01 1inz h GLU 21 N -0.05 0.00 -0.14 0.00 4.11 -1.81 0.40 114.58 117.09 1inz h GLU 21 Ca 0.06 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.30 1inz h GLU 21 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1inz h GLU 21 CO -0.13 0.00 -0.65 0.82 0.07 0.00 0.00 179.01 179.11 1inz h ILE 22 N 0.00 1.31 -0.52 -1.06 1.08 -1.41 -2.49 117.51 114.42 1inz h ILE 22 Ca 0.44 -1.89 -0.05 0.00 -0.39 0.00 0.00 64.86 62.96 1inz h ILE 22 Cb 1.99 2.04 -0.02 0.00 -3.07 0.00 0.00 36.82 37.76 1inz h ILE 22 CO -0.00 0.59 0.13 0.11 -0.69 0.00 0.00 178.15 178.28 1inz h LYS 23 N 0.38 0.84 -0.05 2.37 1.79 -0.03 -2.45 116.57 119.42 1inz h LYS 23 Ca -0.04 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 1inz h LYS 23 Cb 1.29 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1inz h LYS 23 CO 0.14 0.79 -0.21 0.28 -1.08 0.00 0.00 179.45 179.37 1inz h VAL 24 N 0.73 1.18 -0.63 0.50 2.07 -1.38 -0.42 116.25 118.30 1inz h VAL 24 Ca 0.16 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1inz h VAL 24 Cb 0.33 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1inz h VAL 24 CO 0.00 0.25 0.30 -0.09 0.02 0.00 0.00 177.57 178.05 1inz h ARG 25 N 0.07 0.91 0.00 1.57 2.43 -0.96 -1.51 114.38 116.88 1inz h ARG 25 Ca 0.01 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1inz h ARG 25 Cb 0.42 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1inz h ARG 25 CO 0.03 0.72 -0.34 1.49 -1.51 0.00 0.00 179.97 180.36 1inz h GLU 26 N 0.87 0.00 0.00 0.20 4.81 -1.33 -3.23 114.58 115.90 1inz h GLU 26 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1inz h GLU 26 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1inz h GLU 26 CO -0.03 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.16 1inz n ALA 27 N -2.12 2.39 -0.01 2.92 0.00 -0.20 -3.21 120.51 120.28 1inz n ALA 27 Ca 0.03 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1inz n ALA 27 Cb 0.53 -1.43 0.23 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.14 0.74 0.00 0.00 -2.24 -0.61 -4.70 114.28 105.32 1inz n THR 28 Ca 0.05 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1inz n THR 28 Cb 0.42 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.30 0.00 0.00 3.42 2.88 -1.20 -4.52 113.62 115.50 1inz n SER 29 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1inz n SER 29 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.73 0.00 -2.47 -3.46 4.05 -1.26 -4.85 115.26 106.53 1inz n ASN 30 Ca 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 55.03 1inz n ASN 30 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1inz n ASN 30 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1inz n ASP 31 N 0.00 -6.78 -3.08 1.20 9.92 -1.26 -5.01 116.55 111.54 1inz n ASP 31 Ca 0.00 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 1inz n ASP 31 Cb 0.00 -4.45 0.00 0.00 -0.64 0.00 0.00 41.12 36.03 1inz n ASP 31 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1inz n PRO 32 N 0.49 -1.33 -1.34 -0.24 -0.04 -1.26 -4.85 135.00 126.43 1inz n PRO 32 Ca 0.01 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.64 1inz n PRO 32 Cb 0.03 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.43 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 -2.56 -3.33 0.00 0.54 8.01 -1.26 -4.81 117.44 114.03 1inz n TRP 33 Ca 0.00 1.72 0.00 0.00 -1.31 0.00 0.00 57.50 57.91 1inz n TRP 33 Cb 0.00 -3.02 0.00 0.00 -2.01 0.00 0.00 31.31 26.28 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 -4.00 -3.24 0.00 6.99 0.00 -1.26 -4.95 105.19 98.74 1inz n GLY 34 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.77 0.00 -1.69 1.61 -0.04 -1.26 -5.03 135.00 127.83 1inz n PRO 35 Ca 0.00 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1inz n PRO 35 Cb 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.99 -8.91 -1.24 3.54 7.64 -1.26 -4.95 113.62 107.46 1inz n SER 36 Ca 0.00 1.28 0.16 0.00 1.01 0.00 0.00 58.87 61.31 1inz n SER 36 Cb 0.00 -4.87 -0.06 0.00 -1.01 0.00 0.00 64.21 58.27 1inz n SER 36 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1inz n SER 37 N -0.35 -7.28 -3.81 6.43 2.88 -1.26 -4.83 113.62 105.40 1inz n SER 37 Ca 0.00 0.97 -0.30 0.00 -1.33 0.00 0.00 58.87 58.22 1inz n SER 37 Cb 0.00 -4.07 -0.15 0.00 -0.75 0.00 0.00 64.21 59.24 1inz n SER 37 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1inz s SER 38 N -6.90 4.10 -0.14 -3.46 0.15 -1.26 -4.96 113.70 101.23 1inz s SER 38 Ca 0.00 -1.65 -0.04 0.00 0.70 0.00 0.00 55.95 54.96 1inz s SER 38 Cb 0.00 -1.03 -0.07 0.00 -1.71 0.00 0.00 66.02 63.20 1inz s SER 38 CO 0.00 -0.38 -0.16 -0.11 1.20 0.00 0.00 173.24 173.79 1inz n LEU 39 N 4.72 1.85 -0.22 3.45 7.94 -1.26 -4.30 117.00 129.18 1inz n LEU 39 Ca -0.02 0.07 -0.01 0.00 -1.11 0.00 0.00 56.01 54.94 1inz n LEU 39 Cb 0.43 -0.44 0.11 0.00 0.53 0.00 0.00 43.42 44.04 1inz n LEU 39 CO 0.14 0.48 1.06 0.24 -1.11 0.00 0.00 177.39 178.20 1inz h MET 40 N -0.30 0.58 0.00 1.96 2.86 -1.94 -0.54 114.93 117.55 1inz h MET 40 Ca -0.34 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.21 1inz h MET 40 Cb 1.38 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1inz h MET 40 CO -0.15 0.38 -0.27 1.03 1.06 0.00 0.00 176.91 178.97 1inz h SER 41 N 0.59 0.00 -0.05 1.22 0.87 -1.96 -2.89 113.55 111.34 1inz h SER 41 Ca 0.31 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1inz h SER 41 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1inz h SER 41 CO -0.23 0.27 -0.16 -0.33 -0.53 0.00 0.00 176.83 175.85 1inz h GLU 42 N 0.00 0.19 -0.72 2.24 4.39 -1.32 -2.23 114.58 117.13 1inz h GLU 42 Ca -0.00 -0.14 0.07 0.00 0.34 0.00 0.00 59.36 59.63 1inz h GLU 42 Cb 0.53 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1inz h GLU 42 CO 0.03 0.77 0.47 0.82 -1.16 0.00 0.00 179.01 179.95 1inz h ILE 43 N -0.35 1.00 -0.01 3.13 2.04 -1.23 -2.23 117.51 119.86 1inz h ILE 43 Ca -0.01 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1inz h ILE 43 Cb 0.79 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1inz h ILE 43 CO 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 178.15 178.31 1inz h ALA 44 N 1.62 0.01 -0.20 1.87 0.00 -1.49 -2.43 119.26 118.63 1inz h ALA 44 Ca 0.32 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1inz h ALA 44 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1inz h ALA 44 CO -0.11 -0.23 0.48 -0.44 0.00 0.00 0.00 179.25 178.96 1inz h ASP 45 N -0.50 0.00 0.37 0.00 3.32 -0.87 0.37 116.42 119.12 1inz h ASP 45 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1inz h ASP 45 Cb 0.52 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.09 1inz h ASP 45 CO 0.00 0.00 -1.50 -0.07 -1.72 0.00 0.00 179.24 175.95 1inz h LEU 46 N 0.00 0.62 -0.98 1.55 3.38 -0.97 -3.31 115.31 115.61 1inz h LEU 46 Ca 0.09 -0.74 0.20 0.00 0.09 0.00 0.00 57.88 57.52 1inz h LEU 46 Cb 1.06 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.49 1inz h LEU 46 CO -0.00 1.60 0.57 0.71 0.09 0.00 0.00 178.44 181.41 1inz h THR 47 N 0.11 0.66 -0.85 0.22 1.35 0.20 0.15 112.91 114.75 1inz h THR 47 Ca -0.25 -0.23 0.21 0.00 -0.55 0.00 0.00 66.41 65.59 1inz h THR 47 Cb 2.08 -0.09 -0.15 0.00 -1.73 0.00 0.00 68.15 68.27 1inz h THR 47 CO 0.22 0.12 0.06 1.88 -0.25 0.00 0.00 175.52 177.55 1inz h TYR 48 N 0.68 0.03 0.00 4.73 0.05 -1.59 -3.40 116.97 117.47 1inz h TYR 48 Ca 0.58 0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.42 1inz h TYR 48 Cb 0.95 0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1inz h TYR 48 CO -0.03 -0.28 0.00 0.09 -1.05 0.00 0.00 178.16 176.89 1inz n ASN 49 N -5.36 0.00 0.00 3.88 4.13 0.53 -4.99 115.26 113.44 1inz n ASN 49 Ca 0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1inz n ASN 49 Cb 0.59 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 1inz n ASN 49 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1inz n VAL 50 N -0.68 0.00 0.00 2.41 0.24 -1.26 -4.67 118.33 114.37 1inz n VAL 50 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1inz n VAL 50 Cb 0.00 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 1inz n VAL 50 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1inz n VAL 51 N -1.89 0.00 -0.33 3.34 0.31 -1.26 -3.55 118.33 114.96 1inz n VAL 51 Ca 0.00 0.47 0.27 0.00 -0.01 0.00 0.00 64.34 65.07 1inz n VAL 51 Cb 0.36 -1.41 0.51 0.00 -0.91 0.00 0.00 33.84 32.39 1inz n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1inz h ALA 52 N -2.00 1.91 0.02 3.52 0.00 -1.88 0.51 119.26 121.35 1inz h ALA 52 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1inz h ALA 52 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1inz h ALA 52 CO 0.00 -0.84 -0.17 0.35 0.00 0.00 0.00 179.25 178.59 1inz h PHE 53 N 0.02 -0.44 0.00 0.00 3.57 -1.72 0.24 116.94 118.62 1inz h PHE 53 Ca 0.78 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 62.29 1inz h PHE 53 Cb 1.97 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.90 1inz h PHE 53 CO -0.13 -0.24 -0.02 1.03 -2.23 0.00 0.00 178.31 176.72 1inz h SER 54 N -0.29 0.00 1.71 0.41 0.87 -0.06 0.23 113.55 116.42 1inz h SER 54 Ca 0.05 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1inz h SER 54 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1inz h SER 54 CO -0.14 0.02 -0.29 -0.33 -0.53 0.00 0.00 176.83 175.55 1inz h GLU 55 N 0.00 0.00 0.00 2.24 4.39 -0.09 -2.91 114.58 118.22 1inz h GLU 55 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1inz h GLU 55 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1inz h GLU 55 CO 0.00 0.14 0.00 -0.89 -1.16 0.00 0.00 179.01 177.11 1inz n ILE 56 N -3.08 0.00 -0.31 3.13 5.41 0.67 -3.08 119.36 122.09 1inz n ILE 56 Ca 0.03 0.49 0.21 0.00 1.00 0.00 0.00 62.75 64.48 1inz n ILE 56 Cb 0.60 -1.48 0.48 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.43 0.57 0.38 2.86 -1.60 -0.74 114.93 116.84 1inz h MET 57 Ca 0.00 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1inz h MET 57 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1inz h MET 57 CO 0.00 0.29 -0.49 0.77 1.06 0.00 0.00 176.91 178.54 1inz h SER 58 N 0.45 -1.31 -0.02 1.22 0.02 -1.65 -0.05 113.55 112.19 1inz h SER 58 Ca 0.57 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.63 1inz h SER 58 Cb 1.37 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 1inz h SER 58 CO -0.29 -0.68 0.04 0.24 -1.14 0.00 0.00 176.83 175.00 1inz h MET 59 N -1.04 0.00 -0.09 3.45 2.86 -1.19 -0.22 114.93 118.71 1inz h MET 59 Ca -0.07 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 1inz h MET 59 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1inz h MET 59 CO -0.01 0.00 -0.58 0.82 1.06 0.00 0.00 176.91 178.19 1inz h ILE 60 N 0.00 1.37 0.02 -1.22 2.04 0.26 -2.82 117.51 117.16 1inz h ILE 60 Ca 0.01 -1.92 -0.20 0.00 1.00 0.00 0.00 64.86 63.74 1inz h ILE 60 Cb 0.08 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1inz h ILE 60 CO -0.00 0.57 -0.95 -0.50 0.00 0.00 0.00 178.15 177.28 1inz h TRP 61 N 0.21 0.14 0.54 1.37 -0.00 0.69 -2.84 115.95 116.06 1inz h TRP 61 Ca -0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.89 58.77 1inz h TRP 61 Cb 1.08 -0.01 0.01 0.00 -0.00 0.00 0.00 29.16 30.24 1inz h TRP 61 CO 0.02 0.98 -0.26 0.87 -0.00 0.00 0.00 178.44 180.05 1inz h LYS 62 N 0.04 -0.70 0.00 0.49 6.56 -1.35 -2.59 116.57 119.03 1inz h LYS 62 Ca -0.03 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1inz h LYS 62 Cb 1.63 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 33.45 1inz h LYS 62 CO 0.13 -0.39 0.00 0.54 -2.06 0.00 0.00 179.45 177.67 1inz n ARG 63 N -5.30 0.00 0.13 3.15 5.12 -1.07 -1.59 116.66 117.09 1inz n ARG 63 Ca -0.11 0.34 0.12 0.00 -1.93 0.00 0.00 57.85 56.27 1inz n ARG 63 Cb 0.33 -1.50 0.17 0.00 -1.16 0.00 0.00 32.46 30.30 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 -4.14 0.55 3.38 -1.21 -2.19 115.31 111.71 1inz h LEU 64 Ca 0.00 -0.06 -0.63 0.00 0.09 0.00 0.00 57.88 57.28 1inz h LEU 64 Cb 0.16 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.55 1inz h LEU 64 CO 0.00 0.03 0.02 0.59 0.09 0.00 0.00 178.44 179.17 1inz n ASN 65 N -2.57 6.19 -3.06 -0.43 3.02 -0.62 -4.81 115.26 112.98 1inz n ASN 65 Ca 0.03 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1inz n ASN 65 Cb 0.49 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1inz n ASN 65 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1inz n ASP 66 N -0.72 -1.00 -2.08 6.41 5.75 -1.25 -5.05 116.55 118.60 1inz n ASP 66 Ca 0.51 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 55.25 1inz n ASP 66 Cb 0.71 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.82 1inz n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1inz n HIS 67 N -2.21 -1.52 0.00 2.11 1.44 -1.26 -5.01 115.22 108.77 1inz n HIS 67 Ca 0.00 -0.93 0.00 0.00 -2.01 0.00 0.00 57.72 54.78 1inz n HIS 67 Cb 0.00 0.46 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1inz n GLY 68 N -0.33 2.01 2.55 -1.39 0.00 -1.26 -2.04 105.19 104.73 1inz n GLY 68 Ca -0.04 0.44 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 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 3.63 2.08 -1.42 1.61 4.81 -1.26 -4.84 118.16 122.77 1inz n LYS 69 Ca 0.00 -4.03 0.01 0.00 -0.87 0.00 0.00 58.31 53.43 1inz n LYS 69 Cb 0.00 -1.91 0.09 0.00 0.02 0.00 0.00 35.03 33.23 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 -0.03 1.72 0.28 3.14 5.03 -0.87 -4.82 115.26 119.71 1inz n ASN 70 Ca 0.27 -2.83 0.16 0.00 0.87 0.00 0.00 54.58 53.04 1inz n ASN 70 Cb 0.58 -0.41 0.86 0.00 -1.02 0.00 0.00 39.78 39.79 1inz n ASN 70 CO 0.00 0.00 0.00 4.11 -1.83 0.00 0.00 177.26 179.54 1inz h TRP 71 N 1.33 0.00 -0.89 3.10 5.08 -1.88 -2.13 115.95 120.56 1inz h TRP 71 Ca -0.08 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.04 1inz h TRP 71 Cb 1.47 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 27.54 1inz h TRP 71 CO 0.49 0.00 0.49 0.00 -1.28 0.00 0.00 178.44 178.14 1inz h ARG 72 N 0.00 0.68 -0.82 0.12 3.08 -1.96 -0.30 114.38 115.19 1inz h ARG 72 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1inz h ARG 72 Cb 0.26 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1inz h ARG 72 CO 0.00 0.45 0.51 0.45 -1.07 0.00 0.00 179.97 180.31 1inz h HIS 73 N 0.70 1.06 -0.13 3.04 3.86 -1.66 -2.73 115.15 119.29 1inz h HIS 73 Ca 0.48 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.73 1inz h HIS 73 Cb 0.64 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 1inz h HIS 73 CO -0.07 0.70 -0.09 0.28 0.86 0.00 0.00 177.93 179.62 1inz h VAL 74 N 1.12 0.74 -0.20 2.45 2.07 -0.38 -0.90 116.25 121.15 1inz h VAL 74 Ca 0.29 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.87 1inz h VAL 74 Cb -0.07 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1inz h VAL 74 CO -0.06 0.00 -0.41 0.22 0.02 0.00 0.00 177.57 177.35 1inz h TYR 75 N -0.09 -1.17 -0.06 1.57 3.20 -1.18 0.31 116.97 119.56 1inz h TYR 75 Ca 0.08 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1inz h TYR 75 Cb 0.21 0.54 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1inz h TYR 75 CO -0.22 -0.46 0.05 -0.22 -1.64 0.00 0.00 178.16 175.68 1inz h LYS 76 N -0.43 0.00 0.00 1.82 1.63 -1.35 -0.28 116.57 117.96 1inz h LYS 76 Ca 0.10 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.80 1inz h LYS 76 Cb 0.60 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1inz h LYS 76 CO -0.44 0.00 -0.44 0.00 -3.45 0.00 0.00 179.45 175.12 1inz h ALA 77 N 1.95 1.14 0.01 5.00 0.00 0.10 -2.93 119.26 124.53 1inz h ALA 77 Ca 0.03 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 1inz h ALA 77 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1inz h ALA 77 CO -0.00 0.55 -0.88 0.52 0.00 0.00 0.00 179.25 179.44 1inz h MET 78 N 0.00 0.14 -0.56 0.00 2.86 -0.01 -3.04 114.93 114.33 1inz h MET 78 Ca -0.00 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 1inz h MET 78 Cb 0.85 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1inz h MET 78 CO 0.06 0.93 -0.07 1.15 1.06 0.00 0.00 176.91 180.03 1inz h THR 79 N 0.08 1.27 0.32 2.22 2.02 -1.35 -1.23 112.91 116.23 1inz h THR 79 Ca -0.04 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1inz h THR 79 Cb 1.52 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1inz h THR 79 CO 0.13 0.44 -0.15 0.25 0.37 0.00 0.00 175.52 176.56 1inz h LEU 80 N 0.93 -0.36 -2.42 2.58 5.85 -1.57 -0.76 115.31 119.56 1inz h LEU 80 Ca 0.15 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1inz h LEU 80 Cb 0.64 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1inz h LEU 80 CO 0.04 -0.06 0.05 -0.03 -0.34 0.00 0.00 178.44 178.10 1inz h MET 81 N -0.67 0.00 0.07 1.25 4.05 -1.52 -0.00 114.93 118.10 1inz h MET 81 Ca -0.04 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.13 1inz h MET 81 Cb 0.47 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1inz h MET 81 CO 0.07 0.00 -1.09 1.49 0.23 0.00 0.00 176.91 177.61 1inz h GLU 82 N 0.00 0.25 0.00 0.39 4.81 -0.78 -2.29 114.58 116.96 1inz h GLU 82 Ca 0.02 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1inz h GLU 82 Cb 0.12 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1inz h GLU 82 CO -0.00 1.12 -0.47 -0.92 -0.73 0.00 0.00 179.01 178.02 1inz h TYR 83 N 0.10 0.00 0.09 0.92 5.03 0.12 -3.36 116.97 119.87 1inz h TYR 83 Ca -0.09 0.00 -0.37 0.00 2.58 0.00 0.00 58.73 60.85 1inz h TYR 83 Cb 1.78 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 40.03 1inz h TYR 83 CO 0.05 0.00 -2.09 1.28 -1.32 0.00 0.00 178.16 176.08 1inz n LEU 84 N -2.40 2.51 0.24 2.82 4.77 -0.14 -3.36 117.00 121.44 1inz n LEU 84 Ca 0.03 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.30 1inz n LEU 84 Cb 0.47 -0.94 0.76 0.00 -2.33 0.00 0.00 43.42 41.38 1inz n LEU 84 CO 0.35 0.83 0.98 0.40 -1.33 0.00 0.00 177.39 178.62 1inz h ILE 85 N 0.05 0.00 0.00 -0.08 2.04 -1.55 0.69 117.51 118.66 1inz h ILE 85 Ca -0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1inz h ILE 85 Cb 2.01 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1inz h ILE 85 CO 0.05 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.49 1inz n LYS 86 N -2.56 0.00 0.21 2.37 5.02 -1.25 -4.50 118.16 117.44 1inz n LYS 86 Ca -0.02 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 1inz n LYS 86 Cb 0.17 -0.01 0.32 0.00 -0.02 0.00 0.00 35.03 35.49 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1inz h THR 87 N 0.00 0.00 0.00 -0.18 1.03 -1.64 -3.36 112.91 108.77 1inz h THR 87 Ca 0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.62 1inz h THR 87 Cb 0.00 1.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 1inz h THR 87 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1inz n GLY 88 N 0.89 -2.81 0.00 2.99 0.00 0.23 -4.69 105.19 101.80 1inz n GLY 88 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.50 0.00 0.13 1.61 2.88 -0.86 -3.57 113.62 112.31 1inz n SER 89 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 1inz n SER 89 Cb 0.00 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.19 1inz n SER 89 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1inz h GLU 90 N 0.00 0.00 -0.21 -1.46 5.08 -1.87 0.69 114.58 116.81 1inz h GLU 90 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1inz h GLU 90 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1inz h GLU 90 CO 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 177.76 1inz h ARG 91 N 0.00 0.54 -0.02 2.33 3.08 -1.93 0.13 114.38 118.50 1inz h ARG 91 Ca 0.17 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1inz h ARG 91 Cb 1.13 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1inz h ARG 91 CO -0.00 0.89 0.05 0.28 -1.07 0.00 0.00 179.97 180.12 1inz h VAL 92 N 0.21 0.21 0.00 2.04 2.07 -1.16 0.39 116.25 120.00 1inz h VAL 92 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1inz h VAL 92 Cb 0.82 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1inz h VAL 92 CO 0.06 0.00 -1.46 -0.24 0.02 0.00 0.00 177.57 175.95 1inz n SER 93 N -3.37 0.44 -0.03 0.57 2.88 -0.95 -3.50 113.62 109.66 1inz n SER 93 Ca -0.02 0.10 -0.16 0.00 -1.33 0.00 0.00 58.87 57.45 1inz n SER 93 Cb 0.13 1.20 -0.13 0.00 -0.75 0.00 0.00 64.21 64.66 1inz n SER 93 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1inz h GLN 94 N 0.00 0.10 -0.52 -1.46 3.07 0.11 -3.10 115.11 113.31 1inz h GLN 94 Ca 0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 58.65 58.53 1inz h GLN 94 Cb 0.96 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.56 1inz h GLN 94 CO 0.00 1.06 0.16 0.37 0.09 0.00 0.00 178.83 180.51 1inz h GLN 95 N -0.77 0.78 -0.64 0.06 4.15 -1.53 -1.75 115.11 115.41 1inz h GLN 95 Ca -0.04 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.25 1inz h GLN 95 Cb 1.18 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 1inz h GLN 95 CO 0.05 0.68 0.43 0.00 -1.93 0.00 0.00 178.83 178.05 1inz h LYS 97 N 0.85 0.45 0.00 0.00 3.64 -1.26 -1.61 116.57 118.64 1inz h LYS 97 Ca 0.24 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1inz h LYS 97 Cb -0.07 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1inz h LYS 97 CO -0.06 0.99 0.00 0.93 -2.27 0.00 0.00 179.45 179.04 1inz h GLU 98 N 0.31 0.00 -0.49 1.90 5.08 -0.53 -3.15 114.58 117.70 1inz h GLU 98 Ca -0.03 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.97 1inz h GLU 98 Cb 1.29 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.23 1inz h GLU 98 CO 0.13 0.00 -0.75 0.09 -1.00 0.00 0.00 179.01 177.47 1inz n ASN 99 N -2.82 3.65 0.23 1.42 4.13 0.36 -4.78 115.26 117.45 1inz n ASN 99 Ca 0.03 -3.63 0.09 0.00 1.68 0.00 0.00 54.58 52.75 1inz n ASN 99 Cb 0.38 -0.40 0.63 0.00 -1.54 0.00 0.00 39.78 38.85 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1inz h MET 100 N 1.83 0.02 -0.00 3.52 4.05 -1.26 -0.54 114.93 122.55 1inz h MET 100 Ca 0.21 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 1inz h MET 100 Cb 1.38 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.17 1inz h MET 100 CO 0.48 0.02 -0.10 1.88 0.23 0.00 0.00 176.91 179.42 1inz h TYR 101 N 0.03 0.00 -0.35 1.39 0.05 -1.87 -0.98 116.97 115.25 1inz h TYR 101 Ca 0.03 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.64 1inz h TYR 101 Cb 0.08 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 1inz h TYR 101 CO -0.00 0.10 -0.44 0.00 -1.05 0.00 0.00 178.16 176.78 1inz h ALA 102 N 1.90 0.52 0.00 3.88 0.00 -1.47 0.84 119.26 124.93 1inz h ALA 102 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1inz h ALA 102 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1inz h ALA 102 CO 0.01 0.66 -0.58 0.28 0.00 0.00 0.00 179.25 179.62 1inz h VAL 103 N 0.72 1.20 0.00 0.00 2.07 -1.39 -3.14 116.25 115.71 1inz h VAL 103 Ca 0.04 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1inz h VAL 103 Cb 1.04 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1inz h VAL 103 CO 0.10 0.57 -0.84 1.56 0.02 0.00 0.00 177.57 178.98 1inz h GLN 104 N 0.00 0.00 0.00 1.57 1.08 -1.10 -3.30 115.11 113.36 1inz h GLN 104 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1inz h GLN 104 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1inz h GLN 104 CO 0.08 0.00 0.00 -2.37 -0.95 0.00 0.00 178.83 175.59 1inz n THR 105 N -2.68 0.89 0.07 -0.54 5.66 0.28 -2.34 114.28 115.62 1inz n THR 105 Ca 0.01 0.37 -0.18 0.00 -3.05 0.00 0.00 64.05 61.20 1inz n THR 105 Cb 0.54 -1.33 -0.09 0.00 -1.55 0.00 0.00 70.33 67.90 1inz n THR 105 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1inz h LEU 106 N 0.00 0.71 -2.09 1.09 3.38 -1.68 -3.11 115.31 113.60 1inz h LEU 106 Ca 0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1inz h LEU 106 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1inz h LEU 106 CO 0.00 1.43 0.31 0.07 0.09 0.00 0.00 178.44 180.33 1inz h LYS 107 N 0.26 0.00 0.00 1.13 5.09 -1.68 0.15 116.57 121.52 1inz h LYS 107 Ca -0.13 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.32 1inz h LYS 107 Cb 1.76 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 34.04 1inz h LYS 107 CO 0.20 0.00 -1.72 -3.47 -2.09 0.00 0.00 179.45 172.37 1inz n ASP 108 N -2.93 0.86 -4.37 7.07 -0.08 -1.18 -4.83 116.55 111.10 1inz n ASP 108 Ca -0.02 0.41 -0.53 0.00 -1.51 0.00 0.00 54.79 53.14 1inz n ASP 108 Cb 0.36 -0.05 -0.10 0.00 2.34 0.00 0.00 41.12 43.66 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1inz n PHE 109 N -3.04 1.26 -3.54 -0.67 -0.00 0.52 -4.88 117.46 107.11 1inz n PHE 109 Ca -0.17 0.51 -0.17 0.00 -0.00 0.00 0.00 57.45 57.62 1inz n PHE 109 Cb 1.05 -2.41 -0.13 0.00 -0.00 0.00 0.00 39.48 37.99 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 6.55 0.16 -0.31 -4.13 -2.07 -1.26 -4.92 119.66 113.68 1inz s GLN 110 Ca 1.17 0.33 0.01 0.00 -1.82 0.00 0.00 55.36 55.05 1inz s GLN 110 Cb -1.18 -0.92 0.10 0.00 -1.09 0.00 0.00 33.01 29.93 1inz s GLN 110 CO 0.56 -0.55 0.07 -0.47 -1.32 0.00 0.00 175.29 173.57 1inz s TYR 111 N 2.33 2.48 -0.02 9.60 6.14 -1.26 -4.93 117.35 131.69 1inz s TYR 111 Ca 0.06 -2.17 0.19 0.00 0.64 0.00 0.00 57.07 55.78 1inz s TYR 111 Cb -0.15 -2.12 0.33 0.00 0.42 0.00 0.00 41.96 40.44 1inz s TYR 111 CO -0.11 -0.89 1.13 1.55 0.64 0.00 0.00 175.55 177.88 1inz n VAL 112 N 4.63 0.21 0.00 3.14 3.14 -1.26 -4.87 118.33 123.32 1inz n VAL 112 Ca -0.01 -0.97 0.00 0.00 -2.96 0.00 0.00 64.34 60.40 1inz n VAL 112 Cb 0.42 0.76 0.00 0.00 -1.06 0.00 0.00 33.84 33.97 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 0.22 0.00 -0.20 6.55 8.00 -1.26 -2.10 116.55 127.76 1inz n ASP 113 Ca 0.06 0.18 0.01 0.00 0.71 0.00 0.00 54.79 55.75 1inz n ASP 113 Cb 1.00 -0.03 0.11 0.00 -0.02 0.00 0.00 41.12 42.18 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 0.21 0.00 -1.24 0.11 -2.04 -3.32 114.38 108.10 1inz h ARG 114 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1inz h ARG 114 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1inz h ARG 114 CO 0.00 0.14 0.00 -0.25 0.10 0.00 0.00 179.97 179.96 1inz n ASP 115 N -5.18 0.00 0.00 0.08 9.92 -1.26 -5.00 116.55 115.11 1inz n ASP 115 Ca 0.09 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1inz n ASP 115 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1inz n GLY 116 N 1.51 1.47 2.93 0.44 0.00 -0.89 -5.09 105.19 105.57 1inz n GLY 116 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1inz n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1inz s LYS 117 N 0.00 1.41 -0.31 1.61 -0.14 -1.26 -5.06 119.74 115.99 1inz s LYS 117 Ca 0.00 -1.87 -0.37 0.00 -1.36 0.00 0.00 55.97 52.36 1inz s LYS 117 Cb 0.00 -2.95 -0.13 0.00 -1.68 0.00 0.00 37.83 33.07 1inz s LYS 117 CO 0.00 -0.99 2.02 -3.47 -0.76 0.00 0.00 175.35 172.15 1inz n ASP 118 N 4.11 2.27 -1.00 2.83 2.03 -1.26 -4.75 116.55 120.78 1inz n ASP 118 Ca 0.03 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1inz n ASP 118 Cb 0.40 -1.21 -0.01 0.00 -0.72 0.00 0.00 41.12 39.58 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 7.14 0.00 -2.06 -0.67 10.64 -1.26 -4.90 117.38 126.26 1inz n GLN 119 Ca 0.36 -1.26 -0.27 0.00 -1.83 0.00 0.00 57.00 54.00 1inz n GLN 119 Cb 0.19 -0.02 0.02 0.00 -0.86 0.00 0.00 30.24 29.57 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 0.20 6.17 0.13 2.61 0.00 -1.26 -4.70 105.19 108.33 1inz n GLY 120 Ca -0.04 -2.64 -0.22 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.66 1.65 -0.51 1.61 3.14 -1.26 -4.11 118.33 118.20 1inz n VAL 121 Ca 0.46 -0.50 0.41 0.00 -2.96 0.00 0.00 64.34 61.75 1inz n VAL 121 Cb 0.79 -1.74 0.62 0.00 -1.06 0.00 0.00 33.84 32.46 1inz n VAL 121 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1inz n ASN 122 N -3.69 0.00 -0.04 6.55 3.02 -1.26 -1.04 115.26 118.80 1inz n ASN 122 Ca -0.37 0.81 -0.02 0.00 -0.03 0.00 0.00 54.58 54.97 1inz n ASN 122 Cb 0.95 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.74 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1inz h VAL 123 N 0.00 0.00 -1.48 2.41 2.07 -1.92 -2.90 116.25 114.43 1inz h VAL 123 Ca 0.72 -0.69 0.47 0.00 0.82 0.00 0.00 66.70 68.01 1inz h VAL 123 Cb 3.09 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 32.75 1inz h VAL 123 CO -0.01 0.00 1.00 -0.09 0.02 0.00 0.00 177.57 178.49 1inz h ARG 124 N -0.69 0.05 0.00 1.57 1.12 -1.24 -1.05 114.38 114.13 1inz h ARG 124 Ca 0.00 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1inz h ARG 124 Cb 0.22 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1inz h ARG 124 CO 0.00 0.03 -0.20 0.93 -3.11 0.00 0.00 179.97 177.62 1inz h GLU 125 N 0.05 0.00 -0.46 0.20 5.08 -1.47 -2.98 114.58 115.01 1inz h GLU 125 Ca 0.84 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 59.29 1inz h GLU 125 Cb 2.87 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 32.04 1inz h GLU 125 CO -0.29 0.54 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.92 1inz h LYS 126 N -1.00 -0.01 -0.66 2.33 3.11 -1.02 -0.99 116.57 118.32 1inz h LYS 126 Ca -0.04 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1inz h LYS 126 Cb 0.63 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.83 1inz h LYS 126 CO -0.03 -0.01 0.38 0.00 -2.81 0.00 0.00 179.45 176.99 1inz h ALA 127 N 1.44 0.85 0.29 5.00 0.00 -1.43 -2.58 119.26 122.83 1inz h ALA 127 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1inz h ALA 127 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1inz h ALA 127 CO -0.48 0.34 -0.35 0.87 0.00 0.00 0.00 179.25 179.63 1inz h LYS 128 N 0.91 -0.67 -0.74 0.00 1.57 -1.05 -2.09 116.57 114.50 1inz h LYS 128 Ca 0.24 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.19 1inz h LYS 128 Cb 0.00 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 1inz h LYS 128 CO -0.04 -0.44 0.32 1.96 -0.57 0.00 0.00 179.45 180.67 1inz h GLN 129 N -0.69 0.48 -0.94 3.15 7.50 -1.23 -0.21 115.11 123.17 1inz h GLN 129 Ca -0.01 -0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.20 1inz h GLN 129 Cb 0.65 -0.11 -0.07 0.00 0.05 0.00 0.00 27.48 28.00 1inz h GLN 129 CO -0.10 0.32 0.58 1.25 -1.50 0.00 0.00 178.83 179.38 1inz h LEU 130 N 0.49 0.89 -1.50 1.46 6.46 -1.02 0.11 115.31 122.21 1inz h LEU 130 Ca 0.40 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.14 1inz h LEU 130 Cb 0.55 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1inz h LEU 130 CO -0.36 0.53 -0.20 0.58 -0.62 0.00 0.00 178.44 178.37 1inz h VAL 131 N 1.00 0.62 0.04 1.05 2.07 -0.40 -3.15 116.25 117.47 1inz h VAL 131 Ca 0.43 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1inz h VAL 131 Cb 0.30 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1inz h VAL 131 CO -0.22 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.55 1inz h ALA 132 N 1.80 -0.05 -1.01 1.67 0.00 -0.15 -1.44 119.26 120.08 1inz h ALA 132 Ca -0.00 -0.34 0.26 0.00 0.00 0.00 0.00 54.91 54.82 1inz h ALA 132 Cb 0.56 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1inz h ALA 132 CO 0.03 -0.13 0.67 1.25 0.00 0.00 0.00 179.25 181.06 1inz h LEU 133 N -0.84 0.37 0.18 0.00 6.46 -1.29 -1.35 115.31 118.85 1inz h LEU 133 Ca -0.00 0.06 -0.33 0.00 -0.12 0.00 0.00 57.88 57.48 1inz h LEU 133 Cb 0.70 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1inz h LEU 133 CO 0.01 0.10 -1.64 -0.07 -0.62 0.00 0.00 178.44 176.22 1inz h LEU 134 N 0.34 0.60 -7.87 2.25 4.07 -1.59 -3.42 115.31 109.69 1inz h LEU 134 Ca 0.55 -0.92 -0.74 0.00 0.08 0.00 0.00 57.88 56.85 1inz h LEU 134 Cb 1.50 -0.19 -0.29 0.00 1.08 0.00 0.00 40.66 42.76 1inz h LEU 134 CO -0.22 1.74 -0.24 -0.60 -1.08 0.00 0.00 178.44 178.04 1inz s ARG 135 N -2.56 2.85 0.00 1.13 3.52 -0.51 -4.80 118.95 118.59 1inz s ARG 135 Ca -0.16 -2.07 0.00 0.00 -0.13 0.00 0.00 55.73 53.37 1inz s ARG 135 Cb 0.05 -4.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 1inz s ARG 135 CO 0.85 -1.24 0.00 -0.25 -0.81 0.00 0.00 175.30 173.85 1inz n ASP 136 N 4.47 0.00 0.00 -2.12 8.00 -1.23 -4.58 116.55 121.09 1inz n ASP 136 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1inz n ASP 136 Cb 0.42 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1inz n ASP 136 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1inz n GLU 137 N -1.36 0.00 -1.40 -1.24 0.00 -1.26 -5.10 120.64 110.28 1inz n GLU 137 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.27 1inz n GLU 137 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 1inz n GLU 137 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1inz n ASP 138 N 0.00 -7.09 -2.33 -1.84 8.00 -1.26 -4.48 116.55 107.55 1inz n ASP 138 Ca 0.00 1.41 0.00 0.00 0.71 0.00 0.00 54.79 56.91 1inz n ASP 138 Cb 0.00 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.44 1inz n ASP 138 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1inz n ARG 139 N -3.75 -2.82 0.00 -1.24 0.63 -1.26 -4.52 116.66 103.69 1inz n ARG 139 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1inz n ARG 139 Cb 0.56 -4.16 0.00 0.00 0.45 0.00 0.00 32.46 29.31 1inz n ARG 139 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1inz n LEU 140 N -2.29 0.00 0.10 6.15 4.77 -1.26 -3.70 117.00 120.77 1inz n LEU 140 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1inz n LEU 140 Cb 0.46 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.76 1inz n LEU 140 CO 0.00 -0.23 0.53 0.03 -1.33 0.00 0.00 177.39 176.39 1inz h ARG 141 N 0.00 0.00 0.00 3.23 3.08 -1.91 -3.44 114.38 115.34 1inz h ARG 141 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1inz h ARG 141 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1inz h ARG 141 CO 0.00 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.99 1inz n GLU 142 N -2.38 0.00 -3.68 0.04 2.13 -1.24 -5.06 120.64 110.45 1inz n GLU 142 Ca 0.04 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.55 1inz n GLU 142 Cb 0.46 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.21 1inz n GLU 142 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1inz n GLU 143 N -2.78 -1.19 0.00 5.31 2.13 -1.26 -5.10 120.64 117.75 1inz n GLU 143 Ca 0.00 0.49 0.15 0.00 0.66 0.00 0.00 57.16 58.46 1inz n GLU 143 Cb 0.00 -4.04 0.74 0.00 0.27 0.00 0.00 31.44 28.41 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59