#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 4.33 0.00 1.61 1.04 -1.26 -5.15 113.70 114.27 1inz s SER -2 Ca 0.00 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1inz s SER -2 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1inz s SER -2 CO 0.00 -0.96 0.00 -0.24 0.98 0.00 0.00 173.24 173.02 1inz n SER -1 N -1.47 0.00 -3.84 7.02 2.88 -1.26 -5.00 113.62 111.95 1inz n SER -1 Ca -0.12 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.17 1inz n SER -1 Cb 0.66 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.13 1inz n SER -1 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1inz n ARG 0 N -0.03 -4.33 -0.00 -1.46 1.74 -1.26 -4.86 116.66 106.45 1inz n ARG 0 Ca 0.00 0.53 0.03 0.00 -0.77 0.00 0.00 57.85 57.64 1inz n ARG 0 Cb 0.00 -4.98 -0.04 0.00 -1.02 0.00 0.00 32.46 26.42 1inz n ARG 0 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1inz n MET 1 N -4.38 4.32 -0.35 5.56 2.81 -1.26 -5.11 117.12 118.72 1inz n MET 1 Ca -0.24 -0.01 0.05 0.00 -1.81 0.00 0.00 57.70 55.69 1inz n MET 1 Cb 0.65 -0.85 -0.01 0.00 -0.71 0.00 0.00 33.22 32.30 1inz n MET 1 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1inz n SER 2 N -1.22 -3.83 -2.69 7.83 7.64 -1.26 -4.76 113.62 115.33 1inz n SER 2 Ca 0.01 0.37 -0.07 0.00 1.01 0.00 0.00 58.87 60.19 1inz n SER 2 Cb 0.11 -1.16 0.09 0.00 -1.01 0.00 0.00 64.21 62.25 1inz n SER 2 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1inz n THR 3 N -1.71 0.34 0.14 0.44 -1.04 -1.26 -4.92 114.28 106.27 1inz n THR 3 Ca 0.00 -2.01 0.09 0.00 -2.04 0.00 0.00 64.05 60.09 1inz n THR 3 Cb 0.16 0.90 -0.13 0.00 -1.82 0.00 0.00 70.33 69.44 1inz n THR 3 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1inz n SER 4 N -0.46 0.93 -3.56 8.00 2.88 -1.26 -5.00 113.62 115.14 1inz n SER 4 Ca 0.00 -0.17 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 1inz n SER 4 Cb 0.84 1.66 -0.06 0.00 -0.75 0.00 0.00 64.21 65.90 1inz n SER 4 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1inz s SER 5 N -3.78 -0.68 -0.37 -3.46 1.04 -1.26 -5.11 113.70 100.08 1inz s SER 5 Ca -0.04 0.96 -0.02 0.00 0.48 0.00 0.00 55.95 57.32 1inz s SER 5 Cb 0.12 0.85 0.24 0.00 0.10 0.00 0.00 66.02 67.33 1inz s SER 5 CO 0.73 -0.48 1.11 -0.11 0.98 0.00 0.00 173.24 175.47 1inz n LEU 6 N 1.51 -1.71 -3.28 2.42 0.00 -1.26 -5.08 117.00 109.59 1inz n LEU 6 Ca -0.17 -1.79 -0.24 0.00 0.00 0.00 0.00 56.01 53.81 1inz n LEU 6 Cb 0.56 0.60 -0.08 0.00 0.00 0.00 0.00 43.42 44.51 1inz n LEU 6 CO 0.17 1.53 -0.28 -1.14 0.00 0.00 0.00 177.39 177.67 1inz n ARG 7 N 1.99 0.39 -0.11 1.96 0.63 -1.26 -4.94 116.66 115.31 1inz n ARG 7 Ca 0.07 -3.09 -0.14 0.00 -0.92 0.00 0.00 57.85 53.77 1inz n ARG 7 Cb 0.67 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.94 1inz n ARG 7 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1inz n ARG 8 N 2.35 0.71 0.00 -0.14 3.00 -1.26 -4.98 116.66 116.33 1inz n ARG 8 Ca 0.26 0.08 0.00 0.00 -0.01 0.00 0.00 57.85 58.18 1inz n ARG 8 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.47 1inz n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1inz n GLN 9 N -3.02 -1.10 0.00 5.56 10.64 -1.26 -5.07 117.38 123.13 1inz n GLN 9 Ca -0.39 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.78 1inz n GLN 9 Cb 1.04 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.42 1inz n GLN 9 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1inz n MET 10 N -1.41 2.62 0.00 2.61 2.81 -1.26 -5.09 117.12 117.40 1inz n MET 10 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1inz n MET 10 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1inz n MET 10 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1inz n LYS 11 N 0.00 0.00 -3.50 0.03 5.02 -1.26 -4.85 118.16 113.60 1inz n LYS 11 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1inz n LYS 11 Cb 0.00 -0.40 0.03 0.00 -0.02 0.00 0.00 35.03 34.64 1inz n LYS 11 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1inz n ASN 12 N 0.00 -5.63 0.00 4.39 5.15 -1.26 -4.93 115.26 112.98 1inz n ASN 12 Ca 0.00 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1inz n ASN 12 Cb 0.00 -2.06 0.00 0.00 -0.53 0.00 0.00 39.78 37.19 1inz n ASN 12 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1inz n ILE 13 N -0.72 0.00 -3.87 -1.44 5.41 -1.26 -4.97 119.36 112.51 1inz n ILE 13 Ca -0.11 0.63 -0.11 0.00 1.00 0.00 0.00 62.75 64.15 1inz n ILE 13 Cb 0.66 -1.53 -0.12 0.00 -0.71 0.00 0.00 39.64 37.95 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 -1.23 0.04 -0.36 1.39 -7.23 -1.26 -5.05 120.40 106.69 1inz s VAL 14 Ca 0.00 -0.33 0.05 0.00 -1.81 0.00 0.00 61.98 59.90 1inz s VAL 14 Cb 0.00 -0.25 0.45 0.00 0.56 0.00 0.00 36.38 37.14 1inz s VAL 14 CO 0.00 -0.18 1.31 1.57 -0.31 0.00 0.00 175.10 177.49 1inz n HIS 15 N 2.37 2.88 -0.53 2.82 -0.00 -1.26 -5.06 115.22 116.43 1inz n HIS 15 Ca -0.17 -2.41 -0.26 0.00 0.46 0.00 0.00 57.72 55.33 1inz n HIS 15 Cb 0.58 -0.48 0.19 0.00 -0.12 0.00 0.00 29.99 30.15 1inz n HIS 15 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1inz n ASN 16 N -0.72 -2.86 -4.86 0.26 3.02 -1.26 -4.96 115.26 103.89 1inz n ASN 16 Ca 0.46 -0.35 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 1inz n ASN 16 Cb 0.89 -0.91 0.08 0.00 -0.61 0.00 0.00 39.78 39.23 1inz n ASN 16 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1inz s TYR 17 N -2.16 2.99 0.00 3.10 1.51 -1.26 -5.00 117.35 116.53 1inz s TYR 17 Ca 0.51 0.93 0.00 0.00 -1.01 0.00 0.00 57.07 57.50 1inz s TYR 17 Cb -0.10 -3.28 0.00 0.00 -0.11 0.00 0.00 41.96 38.46 1inz s TYR 17 CO 0.52 -1.67 0.00 0.43 -1.11 0.00 0.00 175.55 173.72 1inz n SER 18 N -3.30 0.00 -0.45 2.29 7.64 -1.26 -4.90 113.62 113.64 1inz n SER 18 Ca 0.07 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.06 1inz n SER 18 Cb 0.59 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.20 1inz n SER 18 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1inz n GLU 19 N 0.00 1.60 -0.03 1.43 0.28 -1.26 -4.13 120.64 118.53 1inz n GLU 19 Ca 0.00 -0.90 -0.12 0.00 -0.16 0.00 0.00 57.16 55.98 1inz n GLU 19 Cb 0.00 -1.38 -0.07 0.00 1.43 0.00 0.00 31.44 31.42 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1inz h ALA 20 N 3.98 0.11 -1.34 -1.84 0.00 -1.94 -2.82 119.26 115.41 1inz h ALA 20 Ca 0.00 -0.19 0.42 0.00 0.00 0.00 0.00 54.91 55.13 1inz h ALA 20 Cb 0.40 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 1inz h ALA 20 CO 0.00 -0.19 0.89 1.05 0.00 0.00 0.00 179.25 181.00 1inz h GLU 21 N -0.15 0.11 -0.08 0.00 4.11 -1.72 0.65 114.58 117.50 1inz h GLU 21 Ca 0.02 -0.01 -0.22 0.00 0.07 0.00 0.00 59.36 59.23 1inz h GLU 21 Cb 0.38 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1inz h GLU 21 CO 0.01 0.07 -0.79 0.82 0.07 0.00 0.00 179.01 179.19 1inz h ILE 22 N 0.11 1.31 -0.36 -1.06 2.04 -1.78 -2.98 117.51 114.80 1inz h ILE 22 Ca 0.77 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1inz h ILE 22 Cb 2.52 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 40.81 1inz h ILE 22 CO -0.31 0.63 0.23 0.50 0.00 0.00 0.00 178.15 179.20 1inz h LYS 23 N 0.34 0.46 -0.59 2.37 1.63 0.39 -2.08 116.57 119.09 1inz h LYS 23 Ca -0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1inz h LYS 23 Cb 1.44 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.94 1inz h LYS 23 CO 0.16 0.30 0.37 0.28 -3.45 0.00 0.00 179.45 177.12 1inz h VAL 24 N 0.47 1.16 -0.48 2.00 2.07 -1.38 -1.41 116.25 118.69 1inz h VAL 24 Ca 0.13 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1inz h VAL 24 Cb -0.04 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1inz h VAL 24 CO -0.04 0.16 0.15 -0.09 0.02 0.00 0.00 177.57 177.77 1inz h ARG 25 N 0.80 0.70 0.04 1.57 2.43 -1.22 -2.52 114.38 116.18 1inz h ARG 25 Ca 0.21 -0.11 -0.23 0.00 -0.81 0.00 0.00 59.98 59.04 1inz h ARG 25 Cb -0.07 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1inz h ARG 25 CO -0.04 0.60 -1.01 0.93 -1.51 0.00 0.00 179.97 178.94 1inz h GLU 26 N 0.68 0.32 0.00 0.20 5.08 -0.96 -3.14 114.58 116.76 1inz h GLU 26 Ca 0.16 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1inz h GLU 26 Cb 0.20 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1inz h GLU 26 CO -0.01 1.10 -0.08 0.00 -1.00 0.00 0.00 179.01 179.03 1inz h ALA 27 N 0.75 1.29 -1.74 3.43 0.00 -0.88 -2.98 119.26 119.12 1inz h ALA 27 Ca -0.09 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 54.12 1inz h ALA 27 Cb 1.68 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 19.07 1inz h ALA 27 CO 0.17 0.09 -0.29 0.25 0.00 0.00 0.00 179.25 179.47 1inz n THR 28 N -3.60 3.23 0.19 0.00 -2.24 -1.01 -4.86 114.28 106.00 1inz n THR 28 Ca -0.02 -5.25 -0.08 0.00 -2.27 0.00 0.00 64.05 56.43 1inz n THR 28 Cb 0.19 -1.35 -0.04 0.00 -2.10 0.00 0.00 70.33 67.03 1inz n THR 28 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1inz h SER 29 N 2.98 -0.44 0.00 3.42 0.87 -1.61 -3.46 113.55 115.31 1inz h SER 29 Ca 0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1inz h SER 29 Cb 0.58 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1inz h SER 29 CO 0.94 -0.19 0.00 -3.20 -0.53 0.00 0.00 176.83 173.85 1inz n ASN 30 N -4.07 -0.24 -3.94 6.23 5.15 -1.26 -4.83 115.26 112.30 1inz n ASN 30 Ca -0.06 0.45 -0.10 0.00 -0.60 0.00 0.00 54.58 54.28 1inz n ASN 30 Cb 0.20 0.44 -0.10 0.00 -0.53 0.00 0.00 39.78 39.79 1inz n ASN 30 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1inz s ASP 31 N -4.82 0.18 1.32 1.20 1.11 -1.26 -4.44 116.67 109.96 1inz s ASP 31 Ca 0.00 -0.48 -0.20 0.00 0.18 0.00 0.00 52.55 52.05 1inz s ASP 31 Cb 0.00 0.19 0.30 0.00 1.07 0.00 0.00 42.92 44.48 1inz s ASP 31 CO 0.00 -0.43 0.86 -0.81 1.18 0.00 0.00 175.17 175.97 1inz n PRO 32 N 1.09 -3.65 -0.92 8.23 -0.04 -1.26 -4.87 135.00 133.58 1inz n PRO 32 Ca -0.21 -1.41 0.12 0.00 -0.04 0.00 0.00 63.50 61.97 1inz n PRO 32 Cb 0.57 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 -4.99 -2.36 0.00 0.54 8.01 -1.26 -5.06 117.44 112.33 1inz n TRP 33 Ca 0.13 1.20 0.00 0.00 -1.31 0.00 0.00 57.50 57.52 1inz n TRP 33 Cb 0.52 -2.14 0.00 0.00 -2.01 0.00 0.00 31.31 27.68 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 -3.35 0.53 3.76 6.99 0.00 -1.26 -5.04 105.19 106.82 1inz n GLY 34 Ca -0.01 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1inz n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1inz s PRO 35 N -0.17 3.52 0.06 1.61 0.04 -1.26 -4.91 135.00 133.90 1inz s PRO 35 Ca 0.00 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1inz s PRO 35 Cb 0.00 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 1inz s PRO 35 CO 0.00 -0.83 1.81 0.45 0.04 0.00 0.00 177.00 178.47 1inz s SER 36 N -1.03 6.50 0.31 6.66 0.15 -1.26 -4.98 113.70 120.05 1inz s SER 36 Ca 0.66 2.60 0.04 0.00 0.70 0.00 0.00 55.95 59.95 1inz s SER 36 Cb -0.36 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.34 1inz s SER 36 CO 0.44 -0.98 0.04 -0.44 1.20 0.00 0.00 173.24 173.49 1inz s SER 37 N 3.27 2.42 -0.44 5.45 0.01 -1.26 -5.07 113.70 118.08 1inz s SER 37 Ca 0.81 -1.34 0.05 0.00 1.31 0.00 0.00 55.95 56.77 1inz s SER 37 Cb -0.42 -0.10 0.42 0.00 0.21 0.00 0.00 66.02 66.13 1inz s SER 37 CO 0.36 -0.56 1.11 -1.20 0.41 0.00 0.00 173.24 173.35 1inz n SER 38 N -0.66 4.69 -0.05 2.44 7.64 -1.26 -4.71 113.62 121.71 1inz n SER 38 Ca -0.03 -3.71 -0.05 0.00 1.01 0.00 0.00 58.87 56.09 1inz n SER 38 Cb 0.66 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.47 0.04 0.37 -3.43 7.94 -1.26 -4.43 117.00 115.75 1inz n LEU 39 Ca 0.39 -0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 55.14 1inz n LEU 39 Cb 0.66 0.23 -0.07 0.00 0.53 0.00 0.00 43.42 44.77 1inz n LEU 39 CO 0.33 0.25 0.47 0.24 -1.11 0.00 0.00 177.39 177.57 1inz h MET 40 N 0.00 -0.92 0.00 1.96 2.86 -1.96 -1.82 114.93 115.05 1inz h MET 40 Ca -0.27 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1inz h MET 40 Cb 1.60 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.47 1inz h MET 40 CO 0.01 -0.61 0.28 0.77 1.06 0.00 0.00 176.91 178.42 1inz h SER 41 N -1.04 0.00 0.04 1.22 0.02 -1.92 -2.33 113.55 109.55 1inz h SER 41 Ca -0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1inz h SER 41 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1inz h SER 41 CO 0.16 0.00 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.50 1inz h GLU 42 N 0.00 -0.05 -1.15 3.45 4.39 -1.63 -3.00 114.58 116.58 1inz h GLU 42 Ca 0.00 0.00 0.33 0.00 0.34 0.00 0.00 59.36 60.04 1inz h GLU 42 Cb 0.56 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1inz h GLU 42 CO 0.00 0.18 0.82 0.82 -1.16 0.00 0.00 179.01 179.67 1inz h ILE 43 N -1.00 0.42 0.27 3.13 2.04 -0.78 -0.58 117.51 121.01 1inz h ILE 43 Ca -0.01 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1inz h ILE 43 Cb 0.26 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1inz h ILE 43 CO 0.01 0.01 -0.13 0.00 0.00 0.00 0.00 178.15 178.04 1inz h ALA 44 N 1.44 -0.36 -0.44 1.87 0.00 -1.59 -2.53 119.26 117.65 1inz h ALA 44 Ca 0.56 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.41 1inz h ALA 44 Cb 2.16 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 1inz h ALA 44 CO -0.04 -0.42 0.60 0.22 0.00 0.00 0.00 179.25 179.61 1inz h ASP 45 N -0.92 0.00 -0.08 0.00 3.58 -0.99 0.43 116.42 118.43 1inz h ASP 45 Ca -0.04 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.25 1inz h ASP 45 Cb 0.50 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.56 1inz h ASP 45 CO 0.06 0.00 -0.59 -0.07 -2.88 0.00 0.00 179.24 175.76 1inz h LEU 46 N 0.00 0.66 -0.88 2.28 3.38 -1.07 -3.19 115.31 116.49 1inz h LEU 46 Ca 0.21 -0.67 0.21 0.00 0.09 0.00 0.00 57.88 57.72 1inz h LEU 46 Cb 1.40 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 1inz h LEU 46 CO -0.00 1.23 0.38 0.71 0.09 0.00 0.00 178.44 180.84 1inz h THR 47 N 0.15 0.50 -0.77 0.22 1.35 0.28 0.28 112.91 114.92 1inz h THR 47 Ca -0.05 -0.14 0.18 0.00 -0.55 0.00 0.00 66.41 65.85 1inz h THR 47 Cb 1.25 0.06 -0.13 0.00 -1.73 0.00 0.00 68.15 67.59 1inz h THR 47 CO 0.12 0.07 0.02 1.88 -0.25 0.00 0.00 175.52 177.36 1inz h TYR 48 N 0.41 -0.03 -0.85 4.73 0.05 -1.52 -3.28 116.97 116.48 1inz h TYR 48 Ca 0.54 0.06 -0.29 0.00 0.05 0.00 0.00 58.73 59.08 1inz h TYR 48 Cb 0.99 0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.82 1inz h TYR 48 CO -0.15 -0.24 0.75 1.21 -1.05 0.00 0.00 178.16 178.68 1inz s ASN 49 N -5.18 5.03 0.00 3.88 2.47 0.97 -4.83 114.94 117.28 1inz s ASN 49 Ca -0.13 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 52.68 1inz s ASN 49 Cb 0.23 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1inz s ASN 49 CO 0.76 -2.81 0.00 0.55 -3.72 0.00 0.00 177.10 171.88 1inz n VAL 50 N 7.89 0.00 0.26 -5.21 3.14 -1.24 0.16 118.33 123.33 1inz n VAL 50 Ca 0.38 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.66 1inz n VAL 50 Cb 0.47 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.20 1inz n VAL 50 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1inz h VAL 51 N 0.00 0.00 -0.81 1.55 2.07 -1.88 -2.99 116.25 114.20 1inz h VAL 51 Ca 0.00 -0.07 0.20 0.00 0.82 0.00 0.00 66.70 67.64 1inz h VAL 51 Cb 0.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 1inz h VAL 51 CO 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.51 1inz n ALA 52 N -2.39 0.32 0.17 1.67 0.00 0.42 0.47 120.51 121.18 1inz n ALA 52 Ca -0.08 0.88 -0.14 0.00 0.00 0.00 0.00 53.44 54.09 1inz n ALA 52 Cb 0.26 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.60 -0.25 0.00 3.57 -1.45 0.71 116.94 118.92 1inz h PHE 53 Ca 0.45 0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.02 1inz h PHE 53 Cb 0.83 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1inz h PHE 53 CO -0.51 -0.34 0.33 1.03 -2.23 0.00 0.00 178.31 176.60 1inz h SER 54 N -0.51 0.00 0.83 0.41 0.87 0.17 0.21 113.55 115.53 1inz h SER 54 Ca -0.01 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.34 1inz h SER 54 Cb 0.46 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1inz h SER 54 CO -0.03 0.00 -1.27 -0.33 -0.53 0.00 0.00 176.83 174.67 1inz h GLU 55 N 0.00 0.00 0.00 2.24 4.39 -0.14 -3.19 114.58 117.88 1inz h GLU 55 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1inz h GLU 55 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1inz h GLU 55 CO -0.00 0.56 0.00 -0.89 -1.16 0.00 0.00 179.01 177.51 1inz n ILE 56 N -3.10 0.00 -0.34 3.13 5.41 0.63 -3.08 119.36 122.01 1inz n ILE 56 Ca -0.08 0.48 0.22 0.00 1.00 0.00 0.00 62.75 64.38 1inz n ILE 56 Cb 0.92 -1.45 0.46 0.00 -0.71 0.00 0.00 39.64 38.85 1inz n ILE 56 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1inz h MET 57 N 0.00 0.39 0.56 0.38 4.05 -1.51 -0.28 114.93 118.52 1inz h MET 57 Ca 0.00 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1inz h MET 57 Cb 0.00 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1inz h MET 57 CO 0.00 0.26 -0.45 0.77 0.23 0.00 0.00 176.91 177.71 1inz h SER 58 N 0.40 -1.20 0.24 1.39 0.02 -1.69 -0.01 113.55 112.69 1inz h SER 58 Ca 0.70 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.74 1inz h SER 58 Cb 1.57 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1inz h SER 58 CO -0.52 -0.65 0.00 0.24 -1.14 0.00 0.00 176.83 174.76 1inz h MET 59 N -0.99 0.00 0.03 3.45 2.86 -1.05 -1.38 114.93 117.85 1inz h MET 59 Ca -0.07 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.34 1inz h MET 59 Cb 0.84 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1inz h MET 59 CO -0.00 0.00 -1.16 0.82 1.06 0.00 0.00 176.91 177.63 1inz h ILE 60 N 0.00 1.55 -0.02 -1.22 2.04 0.44 -3.07 117.51 117.23 1inz h ILE 60 Ca 0.00 -3.24 -0.10 0.00 1.00 0.00 0.00 64.86 62.52 1inz h ILE 60 Cb 0.12 2.82 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1inz h ILE 60 CO 0.00 0.90 -0.37 -0.50 0.00 0.00 0.00 178.15 178.18 1inz h TRP 61 N 0.02 0.41 0.30 1.37 -0.00 0.08 -2.55 115.95 115.58 1inz h TRP 61 Ca -0.08 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.89 58.59 1inz h TRP 61 Cb 1.85 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 30.96 1inz h TRP 61 CO 0.02 1.00 -0.16 0.87 -0.00 0.00 0.00 178.44 180.16 1inz h LYS 62 N -0.29 -0.41 0.00 0.49 1.57 -1.63 -0.60 116.57 115.70 1inz h LYS 62 Ca -0.04 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1inz h LYS 62 Cb 1.08 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1inz h LYS 62 CO 0.07 -0.27 0.00 0.54 -0.57 0.00 0.00 179.45 179.22 1inz n ARG 63 N -5.28 0.01 0.11 3.15 5.12 -1.16 -1.64 116.66 116.97 1inz n ARG 63 Ca -0.10 0.34 0.10 0.00 -1.93 0.00 0.00 57.85 56.27 1inz n ARG 63 Cb 0.20 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 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 -3.87 0.55 3.38 -0.67 -3.01 115.31 111.69 1inz h LEU 64 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1inz h LEU 64 Cb 0.14 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.57 1inz h LEU 64 CO 0.00 0.06 0.27 -0.46 0.09 0.00 0.00 178.44 178.41 1inz n ASN 65 N -2.76 6.10 -3.41 -0.43 6.94 -0.65 -4.81 115.26 116.23 1inz n ASN 65 Ca -0.00 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 50.79 1inz n ASN 65 Cb 0.58 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 1inz n ASN 65 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1inz n ASP 66 N -0.90 -0.39 -1.23 0.53 8.00 -1.25 -5.05 116.55 116.26 1inz n ASP 66 Ca 0.54 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1inz n ASP 66 Cb 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 1inz n ASP 66 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1inz n HIS 67 N -1.28 0.00 -1.40 1.24 -0.00 -1.26 -5.01 115.22 107.51 1inz n HIS 67 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 1inz n HIS 67 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1inz n GLY 68 N 4.42 4.05 0.00 1.57 0.00 -1.26 -3.85 105.19 110.12 1inz n GLY 68 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 1.63 0.09 -2.85 1.61 4.81 -1.26 -3.34 118.16 118.86 1inz n LYS 69 Ca 0.51 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.83 1inz n LYS 69 Cb 0.60 -0.54 0.03 0.00 0.02 0.00 0.00 35.03 35.14 1inz n LYS 69 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1inz n ASN 70 N -1.26 0.53 0.25 3.14 2.85 -1.25 -4.92 115.26 114.61 1inz n ASN 70 Ca 0.00 -2.87 0.13 0.00 -0.11 0.00 0.00 54.58 51.73 1inz n ASN 70 Cb 0.04 -0.17 0.68 0.00 1.24 0.00 0.00 39.78 41.57 1inz n ASN 70 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1inz h TRP 71 N 2.88 0.00 -1.04 1.20 5.08 -1.93 -1.95 115.95 120.20 1inz h TRP 71 Ca -0.05 0.00 0.27 0.00 1.08 0.00 0.00 58.89 60.18 1inz h TRP 71 Cb 1.12 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 27.17 1inz h TRP 71 CO 0.43 0.00 0.64 0.00 -1.28 0.00 0.00 178.44 178.23 1inz h ARG 72 N 0.00 0.45 -0.78 0.12 2.47 -1.91 0.37 114.38 115.10 1inz h ARG 72 Ca 0.00 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1inz h ARG 72 Cb 0.46 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.64 1inz h ARG 72 CO 0.00 0.29 0.41 0.45 0.56 0.00 0.00 179.97 181.69 1inz h HIS 73 N 0.46 1.08 0.12 3.04 3.86 -1.56 -2.79 115.15 119.36 1inz h HIS 73 Ca 0.63 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.81 1inz h HIS 73 Cb 1.44 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 1inz h HIS 73 CO -0.00 0.77 -0.14 0.28 0.86 0.00 0.00 177.93 179.70 1inz h VAL 74 N 1.08 0.69 -0.34 2.45 2.07 -0.12 0.11 116.25 122.19 1inz h VAL 74 Ca 0.27 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.87 1inz h VAL 74 Cb 0.06 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1inz h VAL 74 CO -0.04 0.00 -0.26 0.22 0.02 0.00 0.00 177.57 177.51 1inz h TYR 75 N -0.29 -0.69 0.00 1.57 3.20 -1.28 0.30 116.97 119.78 1inz h TYR 75 Ca 0.01 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1inz h TYR 75 Cb 0.29 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 1inz h TYR 75 CO -0.14 -0.33 -0.11 0.87 -1.64 0.00 0.00 178.16 176.81 1inz h LYS 76 N -0.22 0.00 0.00 1.82 1.79 -1.25 -1.47 116.57 117.24 1inz h LYS 76 Ca 0.17 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1inz h LYS 76 Cb 0.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1inz h LYS 76 CO -0.47 0.11 -0.26 0.00 -1.08 0.00 0.00 179.45 177.76 1inz h ALA 77 N 1.89 0.96 0.07 3.86 0.00 0.16 -3.11 119.26 123.09 1inz h ALA 77 Ca -0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 1inz h ALA 77 Cb 0.29 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1inz h ALA 77 CO 0.01 0.32 -1.01 0.52 0.00 0.00 0.00 179.25 179.09 1inz h MET 78 N 0.00 0.57 0.43 0.00 2.86 -0.11 -3.04 114.93 115.63 1inz h MET 78 Ca -0.00 -0.70 -0.01 0.00 -2.06 0.00 0.00 59.70 56.92 1inz h MET 78 Cb 0.87 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1inz h MET 78 CO 0.03 1.30 -0.30 1.15 1.06 0.00 0.00 176.91 180.15 1inz h THR 79 N 0.16 0.39 -0.04 2.22 2.02 -1.49 -1.95 112.91 114.22 1inz h THR 79 Ca -0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1inz h THR 79 Cb 1.70 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 1inz h THR 79 CO 0.20 0.00 -0.44 0.25 0.37 0.00 0.00 175.52 175.90 1inz h LEU 80 N -0.70 -1.34 -1.74 2.58 5.85 -1.66 0.21 115.31 118.50 1inz h LEU 80 Ca -0.04 0.16 0.34 0.00 0.84 0.00 0.00 57.88 59.18 1inz h LEU 80 Cb 0.59 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1inz h LEU 80 CO 0.02 -0.46 0.83 -0.03 -0.34 0.00 0.00 178.44 178.46 1inz h MET 81 N -0.57 0.12 0.04 1.25 4.05 -1.40 -1.76 114.93 116.67 1inz h MET 81 Ca 0.05 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1inz h MET 81 Cb 0.66 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1inz h MET 81 CO -0.35 0.08 -0.02 1.49 0.23 0.00 0.00 176.91 178.35 1inz h GLU 82 N 0.13 -0.06 -1.27 0.39 4.81 0.16 -2.28 114.58 116.46 1inz h GLU 82 Ca 0.62 0.00 0.46 0.00 -0.13 0.00 0.00 59.36 60.31 1inz h GLU 82 Cb 2.16 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 31.40 1inz h GLU 82 CO -0.14 -0.04 0.78 -0.92 -0.73 0.00 0.00 179.01 177.97 1inz h TYR 83 N -0.20 0.61 0.01 0.92 5.03 -0.84 0.61 116.97 123.12 1inz h TYR 83 Ca -0.01 0.03 -0.27 0.00 2.58 0.00 0.00 58.73 61.07 1inz h TYR 83 Cb 0.05 -0.14 0.02 0.00 1.55 0.00 0.00 36.73 38.21 1inz h TYR 83 CO 0.05 -0.33 -1.05 -0.07 -1.32 0.00 0.00 178.16 175.43 1inz h LEU 84 N 0.02 0.90 -2.01 2.82 3.38 -1.42 -2.82 115.31 116.18 1inz h LEU 84 Ca 0.87 -0.75 0.14 0.00 0.09 0.00 0.00 57.88 58.23 1inz h LEU 84 Cb 2.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 43.09 1inz h LEU 84 CO -0.55 1.53 0.43 0.40 0.09 0.00 0.00 178.44 180.35 1inz h ILE 85 N 0.37 0.50 0.00 1.22 2.04 0.86 1.24 117.51 123.73 1inz h ILE 85 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1inz h ILE 85 Cb 1.71 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1inz h ILE 85 CO 0.21 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.53 1inz n LYS 86 N -3.97 0.00 0.12 2.37 0.00 -1.07 -4.61 118.16 111.00 1inz n LYS 86 Ca 0.09 0.12 0.07 0.00 0.00 0.00 0.00 58.31 58.59 1inz n LYS 86 Cb 0.64 -0.49 0.02 0.00 0.00 0.00 0.00 35.03 35.20 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1inz h THR 87 N 0.00 0.28 0.00 3.15 1.03 -1.53 -3.39 112.91 112.44 1inz h THR 87 Ca 0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.94 1inz h THR 87 Cb 0.00 1.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1inz h THR 87 CO 0.00 0.16 0.00 0.61 -0.01 0.00 0.00 175.52 176.28 1inz n GLY 88 N 1.22 -3.23 0.00 2.99 0.00 0.42 -4.75 105.19 101.86 1inz n GLY 88 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.03 0.00 0.32 1.61 2.88 -0.98 -3.78 113.62 111.64 1inz n SER 89 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1inz n SER 89 Cb 0.00 0.00 1.06 0.00 -0.75 0.00 0.00 64.21 64.52 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 0.03 -1.46 4.39 -1.90 -0.97 114.58 114.67 1inz h GLU 90 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1inz h GLU 90 Cb 0.00 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1inz h GLU 90 CO 0.00 0.00 -1.06 0.00 -1.16 0.00 0.00 179.01 176.79 1inz h ARG 91 N 0.00 0.56 0.00 2.33 3.08 -1.93 -2.52 114.38 115.90 1inz h ARG 91 Ca 0.00 -0.64 -0.00 0.00 0.07 0.00 0.00 59.98 59.41 1inz h ARG 91 Cb 0.19 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1inz h ARG 91 CO 0.00 1.25 -0.00 0.28 -1.07 0.00 0.00 179.97 180.43 1inz h VAL 92 N 0.29 0.81 0.15 2.04 2.07 -1.48 -2.17 116.25 117.96 1inz h VAL 92 Ca -0.12 -0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.05 1inz h VAL 92 Cb 1.71 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1inz h VAL 92 CO 0.20 0.00 -1.74 0.77 0.02 0.00 0.00 177.57 176.82 1inz h SER 93 N 0.00 0.51 0.66 0.57 4.64 -1.56 -3.24 113.55 115.13 1inz h SER 93 Ca -0.00 -0.81 -0.03 0.00 -0.47 0.00 0.00 61.79 60.49 1inz h SER 93 Cb 0.00 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1inz h SER 93 CO 0.00 1.69 -0.38 1.56 -0.87 0.00 0.00 176.83 178.83 1inz h GLN 94 N 0.09 -0.93 -0.89 4.77 4.20 -0.98 -2.04 115.11 119.33 1inz h GLN 94 Ca -0.33 0.06 0.18 0.00 0.06 0.00 0.00 58.65 58.62 1inz h GLN 94 Cb 2.07 0.21 -0.07 0.00 0.30 0.00 0.00 27.48 29.99 1inz h GLN 94 CO 0.16 -0.62 0.58 0.37 -0.67 0.00 0.00 178.83 178.65 1inz h GLN 95 N -0.97 0.49 -0.67 1.46 5.75 -1.59 0.63 115.11 120.21 1inz h GLN 95 Ca -0.08 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1inz h GLN 95 Cb 0.77 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.17 1inz h GLN 95 CO 0.11 0.32 0.44 0.00 -2.65 0.00 0.00 178.83 177.05 1inz h LYS 97 N 0.88 0.64 0.00 0.00 1.63 -0.36 1.93 116.57 121.30 1inz h LYS 97 Ca 0.25 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1inz h LYS 97 Cb -0.06 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1inz h LYS 97 CO -0.07 0.77 -0.04 0.39 -3.45 0.00 0.00 179.45 177.04 1inz n GLU 98 N -4.16 0.00 -1.02 1.90 1.02 -0.66 -3.59 120.64 114.13 1inz n GLU 98 Ca 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1inz n GLU 98 Cb 0.37 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.34 1inz n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1inz n ASN 99 N -1.51 0.95 0.25 1.62 4.13 0.19 -4.83 115.26 116.06 1inz n ASN 99 Ca 0.07 -2.36 0.07 0.00 1.68 0.00 0.00 54.58 54.04 1inz n ASN 99 Cb 0.34 -0.32 0.59 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 0.69 0.00 -0.16 3.52 4.05 0.30 -1.19 114.93 122.13 1inz h MET 100 Ca -0.12 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1inz h MET 100 Cb 1.58 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.38 1inz h MET 100 CO 0.05 0.08 0.14 1.88 0.23 0.00 0.00 176.91 179.29 1inz h TYR 101 N 0.00 0.00 -0.20 1.39 0.05 -1.88 -0.13 116.97 116.20 1inz h TYR 101 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 1inz h TYR 101 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1inz h TYR 101 CO 0.00 0.00 -0.54 0.00 -1.05 0.00 0.00 178.16 176.57 1inz h ALA 102 N 1.86 0.34 0.00 3.88 0.00 -1.58 0.18 119.26 123.93 1inz h ALA 102 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1inz h ALA 102 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1inz h ALA 102 CO -0.00 0.55 0.00 0.28 0.00 0.00 0.00 179.25 180.08 1inz h VAL 103 N 0.44 0.00 0.00 0.00 2.07 -1.30 -3.13 116.25 114.32 1inz h VAL 103 Ca -0.01 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 1inz h VAL 103 Cb 1.16 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1inz h VAL 103 CO 0.12 0.00 -1.37 0.00 0.02 0.00 0.00 177.57 176.33 1inz n GLN 104 N -3.08 0.62 0.18 1.57 6.02 -0.18 -3.94 117.38 118.57 1inz n GLN 104 Ca 0.03 0.15 0.06 0.00 -0.01 0.00 0.00 57.00 57.24 1inz n GLN 104 Cb 0.46 -1.78 0.24 0.00 1.02 0.00 0.00 30.24 30.17 1inz n GLN 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1inz h THR 105 N 0.00 0.68 -0.69 5.09 1.03 -0.91 -3.21 112.91 114.90 1inz h THR 105 Ca -0.12 -1.62 -0.01 0.00 -0.01 0.00 0.00 66.41 64.65 1inz h THR 105 Cb 1.39 2.08 -0.03 0.00 -1.07 0.00 0.00 68.15 70.52 1inz h THR 105 CO 0.03 0.34 0.41 -0.07 -0.01 0.00 0.00 175.52 176.21 1inz h LEU 106 N 0.00 0.84 -2.70 0.00 3.38 -1.67 0.90 115.31 116.06 1inz h LEU 106 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1inz h LEU 106 Cb 1.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1inz h LEU 106 CO 0.04 0.66 0.01 0.07 0.09 0.00 0.00 178.44 179.32 1inz h LYS 107 N 0.94 0.00 0.00 1.13 5.09 -1.63 -0.85 116.57 121.25 1inz h LYS 107 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.99 1inz h LYS 107 Cb -0.01 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.32 1inz h LYS 107 CO -0.04 0.00 -1.61 -3.47 -2.09 0.00 0.00 179.45 172.24 1inz n ASP 108 N -3.47 0.33 -4.56 7.07 -0.08 -0.39 -4.80 116.55 110.65 1inz n ASP 108 Ca -0.03 -0.11 -0.26 0.00 -1.51 0.00 0.00 54.79 52.88 1inz n ASP 108 Cb 0.09 1.50 -0.05 0.00 2.34 0.00 0.00 41.12 45.00 1inz n ASP 108 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1inz s PHE 109 N -3.39 1.60 -0.12 -0.67 5.36 0.17 -4.93 117.98 116.00 1inz s PHE 109 Ca -0.03 1.00 -0.10 0.00 -0.96 0.00 0.00 56.93 56.83 1inz s PHE 109 Cb 0.14 -3.89 -0.05 0.00 -0.34 0.00 0.00 43.02 38.88 1inz s PHE 109 CO 0.87 -1.82 0.22 1.14 -1.46 0.00 0.00 175.22 174.18 1inz s GLN 110 N 7.50 3.86 -0.30 10.12 -2.07 -1.26 -4.91 119.66 132.60 1inz s GLN 110 Ca 0.76 -0.00 -0.18 0.00 -1.82 0.00 0.00 55.36 54.12 1inz s GLN 110 Cb -0.09 -3.29 0.18 0.00 -1.09 0.00 0.00 33.01 28.72 1inz s GLN 110 CO 0.05 0.55 1.24 -0.47 -1.32 0.00 0.00 175.29 175.34 1inz s TYR 111 N -0.43 -0.13 -0.77 9.60 6.14 -1.26 -5.05 117.35 125.45 1inz s TYR 111 Ca 0.16 0.19 0.02 0.00 0.64 0.00 0.00 57.07 58.07 1inz s TYR 111 Cb -0.13 0.06 0.34 0.00 0.42 0.00 0.00 41.96 42.66 1inz s TYR 111 CO 0.04 -0.07 1.43 0.28 0.64 0.00 0.00 175.55 177.88 1inz n VAL 112 N 5.00 4.26 -2.48 3.14 0.31 -1.26 -4.73 118.33 122.57 1inz n VAL 112 Ca -0.08 -5.53 0.00 0.00 -0.01 0.00 0.00 64.34 58.72 1inz n VAL 112 Cb 0.55 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1inz n VAL 112 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1inz n ASP 113 N -0.23 0.00 -0.03 4.52 2.03 -1.21 -1.84 116.55 119.79 1inz n ASP 113 Ca 0.41 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.70 1inz n ASP 113 Cb 0.35 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 1inz n ASP 113 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1inz h ARG 114 N 0.00 0.00 -0.42 -0.67 2.47 -1.97 -3.43 114.38 110.36 1inz h ARG 114 Ca 0.00 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.41 1inz h ARG 114 Cb 0.00 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.03 1inz h ARG 114 CO 0.00 0.00 -0.78 -3.47 0.56 0.00 0.00 179.97 176.28 1inz n ASP 115 N -3.21 3.19 -3.71 7.04 -0.08 -1.26 -5.05 116.55 113.47 1inz n ASP 115 Ca -0.03 -3.44 0.00 0.00 -1.51 0.00 0.00 54.79 49.82 1inz n ASP 115 Cb 0.10 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1inz n GLY 116 N -0.72 -2.18 2.95 0.27 0.00 -0.76 -5.05 105.19 99.70 1inz n GLY 116 Ca 0.28 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 1inz n GLY 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1inz s LYS 117 N 0.00 0.84 0.00 1.61 2.20 -1.26 -5.04 119.74 118.10 1inz s LYS 117 Ca 0.00 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1inz s LYS 117 Cb 0.00 -0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1inz s LYS 117 CO 0.00 -1.24 0.00 -3.47 -0.36 0.00 0.00 175.35 170.28 1inz n ASP 118 N 3.94 -6.90 -0.05 1.43 2.03 -1.26 -4.93 116.55 110.81 1inz n ASP 118 Ca 0.14 0.66 0.00 0.00 0.52 0.00 0.00 54.79 56.11 1inz n ASP 118 Cb 0.53 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 1.88 0.00 0.00 -0.67 10.64 -1.26 -4.81 117.38 123.15 1inz n GLN 119 Ca 0.00 -0.45 0.09 0.00 -1.83 0.00 0.00 57.00 54.80 1inz n GLN 119 Cb 0.24 -0.42 0.01 0.00 -0.86 0.00 0.00 30.24 29.22 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 0.00 0.05 0.00 2.61 0.00 -1.26 -4.70 105.19 101.89 1inz n GLY 120 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1inz n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1inz n VAL 121 N 0.09 0.00 -0.39 1.61 0.31 -1.26 -0.56 118.33 118.12 1inz n VAL 121 Ca 0.08 1.33 0.31 0.00 -0.01 0.00 0.00 64.34 66.06 1inz n VAL 121 Cb 0.39 -1.91 0.51 0.00 -0.91 0.00 0.00 33.84 31.91 1inz n VAL 121 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1inz n ASN 122 N -2.21 0.08 -0.05 4.52 3.02 -1.26 0.15 115.26 119.52 1inz n ASN 122 Ca 0.00 0.84 -0.14 0.00 -0.03 0.00 0.00 54.58 55.25 1inz n ASN 122 Cb 0.00 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 38.63 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 1.67 0.65 2.41 2.07 -1.16 -2.01 116.25 119.87 1inz h VAL 123 Ca 0.62 -2.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1inz h VAL 123 Cb 2.22 3.07 0.01 0.00 -1.52 0.00 0.00 31.29 35.07 1inz h VAL 123 CO -0.19 0.55 -0.31 0.03 0.02 0.00 0.00 177.57 177.67 1inz h ARG 124 N -0.78 -0.84 0.10 1.57 3.08 0.24 -1.69 114.38 116.06 1inz h ARG 124 Ca -0.01 0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1inz h ARG 124 Cb 0.96 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1inz h ARG 124 CO 0.02 -0.54 -0.05 0.93 -1.07 0.00 0.00 179.97 179.26 1inz h GLU 125 N -0.91 -0.13 -0.57 0.04 5.08 -1.36 -2.73 114.58 114.00 1inz h GLU 125 Ca -0.09 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1inz h GLU 125 Cb 0.68 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 1inz h GLU 125 CO 0.15 0.01 0.00 -0.22 -1.00 0.00 0.00 179.01 177.94 1inz h LYS 126 N -0.24 0.12 -0.54 2.33 1.63 -1.37 -0.72 116.57 117.77 1inz h LYS 126 Ca -0.01 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1inz h LYS 126 Cb 0.20 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 1inz h LYS 126 CO 0.02 0.08 0.22 0.00 -3.45 0.00 0.00 179.45 176.32 1inz h ALA 127 N 1.51 0.69 -0.48 5.00 0.00 -1.15 -1.31 119.26 123.52 1inz h ALA 127 Ca 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1inz h ALA 127 Cb 0.46 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1inz h ALA 127 CO -0.48 -0.17 0.19 -0.22 0.00 0.00 0.00 179.25 178.57 1inz h LYS 128 N 0.41 0.68 0.15 0.00 3.64 -0.86 -2.90 116.57 117.69 1inz h LYS 128 Ca 0.26 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1inz h LYS 128 Cb 0.27 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1inz h LYS 128 CO -0.25 0.56 -0.07 0.37 -2.27 0.00 0.00 179.45 177.79 1inz h GLN 129 N 0.68 -0.19 -0.88 1.90 -0.00 -0.29 -0.80 115.11 115.53 1inz h GLN 129 Ca 0.17 0.01 0.15 0.00 -0.00 0.00 0.00 58.65 58.98 1inz h GLN 129 Cb 0.13 0.04 -0.07 0.00 0.00 0.00 0.00 27.48 27.59 1inz h GLN 129 CO -0.02 -0.11 0.57 1.25 0.00 0.00 0.00 178.83 180.52 1inz h LEU 130 N -0.22 0.61 -0.59 -2.39 6.46 -1.28 0.16 115.31 118.07 1inz h LEU 130 Ca -0.02 0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.67 1inz h LEU 130 Cb 0.17 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1inz h LEU 130 CO 0.03 0.30 -0.53 0.58 -0.62 0.00 0.00 178.44 178.21 1inz h VAL 131 N 0.64 1.09 0.09 1.05 2.07 -1.31 -3.03 116.25 116.85 1inz h VAL 131 Ca 0.44 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1inz h VAL 131 Cb 0.77 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1inz h VAL 131 CO -0.20 0.52 -0.04 0.00 0.02 0.00 0.00 177.57 177.87 1inz h ALA 132 N 1.47 -0.12 0.00 1.67 0.00 0.77 -0.73 119.26 122.32 1inz h ALA 132 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1inz h ALA 132 Cb 1.15 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1inz h ALA 132 CO 0.07 -0.36 -0.12 1.37 0.00 0.00 0.00 179.25 180.22 1inz h LEU 133 N -0.54 0.00 0.00 0.00 8.10 -1.49 -1.32 115.31 120.05 1inz h LEU 133 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1inz h LEU 133 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 1inz h LEU 133 CO 0.02 0.12 -0.52 0.18 -4.11 0.00 0.00 178.44 174.12 1inz n LEU 134 N -3.83 0.63 -3.02 0.17 4.32 -1.15 -4.62 117.00 109.51 1inz n LEU 134 Ca -0.02 0.23 -0.07 0.00 -0.02 0.00 0.00 56.01 56.13 1inz n LEU 134 Cb 0.22 -0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1inz n LEU 134 CO 0.31 -0.03 0.03 -0.60 -1.22 0.00 0.00 177.39 175.89 1inz s ARG 135 N -3.12 0.94 0.00 3.23 6.06 -0.29 -4.98 118.95 120.79 1inz s ARG 135 Ca 0.08 -0.94 0.00 0.00 -2.50 0.00 0.00 55.73 52.37 1inz s ARG 135 Cb 0.14 -0.23 0.00 0.00 0.06 0.00 0.00 34.95 34.92 1inz s ARG 135 CO 0.70 -1.28 0.00 -3.47 -2.50 0.00 0.00 175.30 168.74 1inz n ASP 136 N 3.47 4.49 -4.55 -2.12 2.03 -0.92 -4.58 116.55 114.38 1inz n ASP 136 Ca 0.17 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.07 1inz n ASP 136 Cb 0.54 0.77 -0.04 0.00 -0.72 0.00 0.00 41.12 41.66 1inz n ASP 136 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1inz n GLU 137 N -1.50 1.27 -3.21 -0.67 4.07 -1.26 -4.84 120.64 114.50 1inz n GLU 137 Ca 0.00 0.20 -0.22 0.00 -0.06 0.00 0.00 57.16 57.08 1inz n GLU 137 Cb 0.13 -3.13 -0.07 0.00 -0.06 0.00 0.00 31.44 28.32 1inz n GLU 137 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1inz n ASP 138 N 13.48 -0.83 0.15 4.31 2.03 -1.26 -5.01 116.55 129.42 1inz n ASP 138 Ca 0.37 -2.59 -0.16 0.00 0.52 0.00 0.00 54.79 52.94 1inz n ASP 138 Cb 0.44 -0.14 -0.09 0.00 -0.72 0.00 0.00 41.12 40.61 1inz n ASP 138 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1inz h ARG 139 N 4.98 -0.73 -7.31 -0.67 2.47 -2.06 -3.42 114.38 107.64 1inz h ARG 139 Ca 0.16 0.05 -0.50 0.00 -1.26 0.00 0.00 59.98 58.43 1inz h ARG 139 Cb 0.93 0.17 0.06 0.00 -1.65 0.00 0.00 29.97 29.48 1inz h ARG 139 CO 0.35 -0.49 0.35 -0.51 0.56 0.00 0.00 179.97 180.23 1inz s LEU 140 N -9.74 3.20 -1.06 3.04 1.02 -1.26 -4.98 118.68 108.90 1inz s LEU 140 Ca -0.15 1.21 -0.15 0.00 0.02 0.00 0.00 54.13 55.05 1inz s LEU 140 Cb 0.05 -4.15 0.17 0.00 0.02 0.00 0.00 46.19 42.27 1inz s LEU 140 CO 0.56 -0.97 1.24 -0.13 0.02 0.00 0.00 176.35 177.06 1inz s ARG 141 N -5.15 3.86 -0.16 1.70 0.52 -1.26 -4.79 118.95 113.68 1inz s ARG 141 Ca 0.55 -2.28 -0.21 0.00 -0.52 0.00 0.00 55.73 53.26 1inz s ARG 141 Cb -0.11 -4.92 -0.23 0.00 0.52 0.00 0.00 34.95 30.20 1inz s ARG 141 CO 0.51 -1.70 0.46 0.93 0.02 0.00 0.00 175.30 175.52 1inz h GLU 142 N 7.85 0.08 0.00 3.54 3.07 -1.94 -3.46 114.58 123.74 1inz h GLU 142 Ca 0.23 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1inz h GLU 142 Cb 0.95 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1inz h GLU 142 CO 1.14 1.07 0.00 0.39 -1.40 0.00 0.00 179.01 180.21 1inz n GLU 143 N -4.29 0.00 0.00 2.33 1.02 -1.26 -5.29 120.64 113.15 1inz n GLU 143 Ca -0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1inz n GLU 143 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.13 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18