#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsx s HIS 2 N 0.00 2.51 0.25 2.03 0.09 -1.26 -4.98 115.29 113.93 2jsx s HIS 2 Ca 0.00 -0.61 -0.17 0.00 -0.00 0.00 0.00 55.06 54.28 2jsx s HIS 2 Cb 0.00 -4.61 -0.08 0.00 -0.00 0.00 0.00 32.58 27.88 2jsx s HIS 2 CO 0.00 -1.93 0.71 0.95 -0.00 0.00 0.00 174.74 174.47 2jsx s THR 3 N 4.98 4.64 -0.23 1.30 -4.23 -1.26 -5.04 115.64 115.80 2jsx s THR 3 Ca 0.40 1.11 -0.18 0.00 -1.18 0.00 0.00 61.69 61.83 2jsx s THR 3 Cb -0.04 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 2jsx s THR 3 CO -0.00 0.08 0.52 0.20 -0.54 0.00 0.00 174.62 174.88 2jsx s ASN 4 N -1.87 6.50 0.04 3.99 0.02 -1.26 -5.04 114.94 117.32 2jsx s ASN 4 Ca 0.46 0.60 0.05 0.00 -1.02 0.00 0.00 52.86 52.95 2jsx s ASN 4 Cb -0.14 -2.29 -0.02 0.00 0.02 0.00 0.00 41.25 38.82 2jsx s ASN 4 CO 0.20 -0.24 -0.14 -1.66 0.02 0.00 0.00 177.10 175.27 2jsx s TRP 5 N 2.01 1.24 0.09 2.20 1.48 -1.26 -4.95 118.94 119.74 2jsx s TRP 5 Ca 0.23 -0.36 -0.15 0.00 -1.06 0.00 0.00 56.10 54.76 2jsx s TRP 5 Cb -0.15 -0.73 -0.06 0.00 -1.16 0.00 0.00 33.47 31.36 2jsx s TRP 5 CO 0.09 0.04 0.50 1.14 -4.06 0.00 0.00 176.95 174.66 2jsx s GLN 6 N -1.19 3.98 0.04 3.25 1.03 -0.60 -4.87 119.66 121.30 2jsx s GLN 6 Ca 0.01 0.48 0.04 0.00 0.04 0.00 0.00 55.36 55.93 2jsx s GLN 6 Cb -0.08 -3.06 -0.04 0.00 0.03 0.00 0.00 33.01 29.86 2jsx s GLN 6 CO 0.01 0.57 -0.04 0.14 -2.54 0.00 0.00 175.29 173.43 2jsx s VAL 7 N -1.30 3.80 -0.03 3.63 -7.23 -1.26 -1.01 120.40 117.00 2jsx s VAL 7 Ca 0.32 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 2jsx s VAL 7 Cb -0.16 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.07 2jsx s VAL 7 CO 0.18 0.28 0.07 0.00 -0.31 0.00 0.00 175.10 175.31 2jsx s SER 9 N 0.11 6.67 -0.18 0.00 0.15 -1.26 -0.13 113.70 119.06 2jsx s SER 9 Ca -0.01 0.81 -0.07 0.00 0.70 0.00 0.00 55.95 57.38 2jsx s SER 9 Cb -0.01 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2jsx s SER 9 CO -0.00 -0.20 0.06 -0.76 1.20 0.00 0.00 173.24 173.53 2jsx s LEU 10 N 1.59 3.78 -0.53 3.45 1.43 0.19 -1.64 118.68 126.95 2jsx s LEU 10 Ca 0.28 0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 2jsx s LEU 10 Cb -0.16 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 44.21 2jsx s LEU 10 CO 0.11 0.17 0.52 -0.69 0.23 0.00 0.00 176.35 176.69 2jsx s VAL 11 N 0.40 5.11 -0.39 -1.59 1.01 0.65 -0.40 120.40 125.19 2jsx s VAL 11 Ca 0.03 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 2jsx s VAL 11 Cb -0.13 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2jsx s VAL 11 CO 0.00 -0.84 0.33 -0.69 0.00 0.00 0.00 175.10 173.91 2jsx s VAL 12 N 1.91 5.21 -0.30 2.92 1.01 0.31 -0.21 120.40 131.25 2jsx s VAL 12 Ca 0.06 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 2jsx s VAL 12 Cb -0.27 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2jsx s VAL 12 CO 0.05 -0.25 0.68 -1.58 0.00 0.00 0.00 175.10 174.01 2jsx s GLN 13 N 1.86 3.93 0.30 2.72 0.74 0.11 -0.03 119.66 129.28 2jsx s GLN 13 Ca 0.08 0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.92 2jsx s GLN 13 Cb -0.18 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 2jsx s GLN 13 CO 0.11 -0.60 0.14 0.00 -0.55 0.00 0.00 175.29 174.39 2jsx s ALA 14 N 2.72 1.94 -0.05 1.58 0.00 0.76 -0.57 121.76 128.14 2jsx s ALA 14 Ca 0.28 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 2jsx s ALA 14 Cb -0.15 1.11 -0.08 0.00 0.00 0.00 0.00 23.12 24.00 2jsx s ALA 14 CO 0.12 -0.49 2.04 1.63 0.00 0.00 0.00 175.76 179.06 2jsx n LYS 15 N -0.57 2.53 -0.24 0.00 4.01 -0.98 -4.59 118.16 118.33 2jsx n LYS 15 Ca 0.00 0.88 0.09 0.00 -0.51 0.00 0.00 58.31 58.77 2jsx n LYS 15 Cb 0.65 -3.03 0.35 0.00 -0.51 0.00 0.00 35.03 32.49 2jsx n LYS 15 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2jsx h SER 16 N 11.71 0.70 1.11 4.39 0.87 -1.85 -0.58 113.55 129.90 2jsx h SER 16 Ca -0.47 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 2jsx h SER 16 Cb 1.25 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2jsx h SER 16 CO 0.95 0.41 -0.03 1.05 -0.53 0.00 0.00 176.83 178.68 2jsx h GLU 17 N 0.77 0.00 -0.20 2.24 4.11 -1.91 -3.10 114.58 116.49 2jsx h GLU 17 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 2jsx h GLU 17 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jsx h GLU 17 CO -0.16 0.03 0.00 -2.13 0.07 0.00 0.00 179.01 176.82 2jsx n ARG 18 N -3.13 2.88 -0.21 1.06 0.63 -0.31 -4.73 116.66 112.85 2jsx n ARG 18 Ca 0.01 -1.89 -0.00 0.00 -0.92 0.00 0.00 57.85 55.05 2jsx n ARG 18 Cb 0.34 -1.20 0.07 0.00 0.45 0.00 0.00 32.46 32.13 2jsx n ARG 18 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2jsx h ILE 19 N 1.21 0.39 -0.50 5.15 1.08 -1.24 -1.59 117.51 122.01 2jsx h ILE 19 Ca 0.00 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2jsx h ILE 19 Cb 0.68 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2jsx h ILE 19 CO 0.01 0.00 0.19 0.28 -0.69 0.00 0.00 178.15 177.95 2jsx h SER 20 N 0.02 0.66 -0.07 1.72 0.02 -1.86 0.19 113.55 114.23 2jsx h SER 20 Ca 0.31 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.93 2jsx h SER 20 Cb 0.48 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 62.87 2jsx h SER 20 CO -0.62 0.60 -0.92 0.44 -1.14 0.00 0.00 176.83 175.19 2jsx h ASP 21 N 0.72 0.93 -0.25 3.07 3.32 -1.71 -2.89 116.42 119.61 2jsx h ASP 21 Ca 0.17 -0.69 -0.13 0.00 0.02 0.00 0.00 57.03 56.40 2jsx h ASP 21 Cb 0.15 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2jsx h ASP 21 CO -0.02 1.49 -0.36 0.40 -1.72 0.00 0.00 179.24 179.03 2jsx h ILE 22 N 0.46 1.31 -0.11 0.35 2.04 -0.77 -1.88 117.51 118.91 2jsx h ILE 22 Ca -0.10 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 2jsx h ILE 22 Cb 1.57 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2jsx h ILE 22 CO 0.19 0.49 0.05 0.77 0.00 0.00 0.00 178.15 179.65 2jsx h SER 23 N 0.41 0.15 -0.53 1.72 4.64 -0.73 0.13 113.55 119.35 2jsx h SER 23 Ca 0.03 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 2jsx h SER 23 Cb 0.95 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 2jsx h SER 23 CO 0.08 0.25 0.28 0.74 -0.87 0.00 0.00 176.83 177.31 2jsx h THR 24 N 0.04 1.18 -0.08 2.95 2.02 -1.54 0.16 112.91 117.64 2jsx h THR 24 Ca 0.04 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2jsx h THR 24 Cb 0.14 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2jsx h THR 24 CO -0.00 0.21 0.01 -0.61 0.37 0.00 0.00 175.52 175.49 2jsx h GLN 25 N 0.78 0.14 -0.25 6.66 4.15 -0.87 -3.01 115.11 122.72 2jsx h GLN 25 Ca 0.20 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2jsx h GLN 25 Cb 0.06 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2jsx h GLN 25 CO -0.03 0.39 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.16 2jsx h LEU 26 N -0.12 0.35 -0.94 -2.39 3.38 -0.07 -0.49 115.31 115.03 2jsx h LEU 26 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jsx h LEU 26 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jsx h LEU 26 CO 0.00 0.43 0.00 0.78 0.09 0.00 0.00 178.44 179.74 2jsx h ASN 27 N 0.36 0.00 0.01 -0.43 2.35 -0.92 -1.87 115.58 115.09 2jsx h ASN 27 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2jsx h ASN 27 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2jsx h ASN 27 CO 0.01 0.00 -0.08 0.00 -1.65 0.00 0.00 177.43 175.71 2jsx n ALA 28 N -1.81 2.69 -1.93 -0.83 0.00 -0.20 -4.82 120.51 113.62 2jsx n ALA 28 Ca 0.01 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.59 2jsx n ALA 28 Cb 0.20 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 2jsx n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jsx s PHE 29 N -2.11 3.43 -0.67 0.00 0.40 -0.70 -4.96 117.98 113.37 2jsx s PHE 29 Ca 0.31 1.39 -0.26 0.00 -0.60 0.00 0.00 56.93 57.77 2jsx s PHE 29 Cb 0.20 -2.71 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 2jsx s PHE 29 CO 0.37 -0.25 1.90 -2.14 0.70 0.00 0.00 175.22 175.80 2jsx s PRO 30 N -3.82 2.58 0.00 0.24 0.02 -1.26 -2.46 135.00 130.31 2jsx s PRO 30 Ca 0.57 0.45 0.00 0.00 0.02 0.00 0.00 61.00 62.04 2jsx s PRO 30 Cb -0.10 -4.54 0.00 0.00 0.02 0.00 0.00 34.50 29.89 2jsx s PRO 30 CO 0.28 -2.90 0.00 0.41 -0.33 0.00 0.00 177.00 174.46 2jsx n GLY 31 N 5.96 0.90 3.10 0.52 0.00 -1.26 -4.89 105.19 109.52 2jsx n GLY 31 Ca 0.25 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2jsx n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsx s GLU 33 N 1.00 1.73 -0.65 0.00 2.12 -0.47 -4.09 118.70 118.34 2jsx s GLU 33 Ca -0.04 -0.35 -0.27 0.00 0.36 0.00 0.00 54.97 54.66 2jsx s GLU 33 Cb -0.15 -1.65 0.02 0.00 0.26 0.00 0.00 34.13 32.61 2jsx s GLU 33 CO -0.04 -0.19 1.31 0.08 -0.54 0.00 0.00 175.26 175.88 2jsx s VAL 34 N 1.42 3.80 -0.06 3.70 1.01 -1.26 0.16 120.40 129.17 2jsx s VAL 34 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 2jsx s VAL 34 Cb -0.13 -4.72 -0.27 0.00 0.00 0.00 0.00 36.38 31.26 2jsx s VAL 34 CO -0.06 -1.53 0.95 0.00 0.00 0.00 0.00 175.10 174.46 2jsx h ALA 35 N 10.36 -0.01 -3.37 5.51 0.00 -0.75 -3.45 119.26 127.55 2jsx h ALA 35 Ca -0.27 -0.57 -0.40 0.00 0.00 0.00 0.00 54.91 53.68 2jsx h ALA 35 Cb 1.07 0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.54 2jsx h ALA 35 CO 1.23 0.22 -0.76 0.08 0.00 0.00 0.00 179.25 180.02 2jsx s VAL 36 N -2.73 0.29 -0.17 0.00 1.01 -1.13 -5.00 120.40 112.67 2jsx s VAL 36 Ca -0.15 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2jsx s VAL 36 Cb 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2jsx s VAL 36 CO 0.78 0.21 0.07 -0.44 0.00 0.00 0.00 175.10 175.72 2jsx s SER 37 N 1.50 5.74 -0.45 3.32 0.01 -1.26 0.02 113.70 122.58 2jsx s SER 37 Ca -0.03 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.41 2jsx s SER 37 Cb -0.13 -1.94 0.13 0.00 0.21 0.00 0.00 66.02 64.29 2jsx s SER 37 CO -0.03 0.22 0.23 -0.62 0.41 0.00 0.00 173.24 173.45 2jsx s ASP 38 N 0.09 3.96 0.23 2.44 2.15 0.44 -5.00 116.67 120.98 2jsx s ASP 38 Ca 0.06 -2.68 -0.07 0.00 0.43 0.00 0.00 52.55 50.28 2jsx s ASP 38 Cb -0.12 -1.27 0.25 0.00 -0.30 0.00 0.00 42.92 41.48 2jsx s ASP 38 CO 0.00 -0.27 1.88 0.00 -0.17 0.00 0.00 175.17 176.62 2jsx h ALA 39 N 6.77 1.12 -0.86 3.66 0.00 -1.93 0.22 119.26 128.24 2jsx h ALA 39 Ca -0.04 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.05 2jsx h ALA 39 Cb 0.92 -0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 2jsx h ALA 39 CO 0.56 0.41 0.23 -1.00 0.00 0.00 0.00 179.25 179.45 2jsx h PRO 40 N 1.09 0.22 0.00 0.00 0.13 -1.95 -2.04 132.00 129.45 2jsx h PRO 40 Ca 0.34 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 65.17 2jsx h PRO 40 Cb -0.02 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.01 2jsx h PRO 40 CO -0.11 0.14 -1.96 -1.13 -0.23 0.00 0.00 178.00 174.72 2jsx n SER 41 N -5.21 0.45 0.00 1.44 3.41 -1.17 -4.97 113.62 107.57 2jsx n SER 41 Ca 0.20 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2jsx n SER 41 Cb 0.65 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 2jsx n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jsx n GLY 42 N 1.59 0.86 3.78 5.00 0.00 0.66 -4.83 105.19 112.25 2jsx n GLY 42 Ca -0.21 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2jsx n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jsx s GLN 43 N -1.19 3.50 -0.17 1.61 -0.21 -0.60 -0.17 119.66 122.43 2jsx s GLN 43 Ca 0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.13 2jsx s GLN 43 Cb 0.00 -3.13 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 2jsx s GLN 43 CO 0.00 0.63 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.17 2jsx s LEU 44 N -0.63 2.61 -0.31 2.90 1.43 0.95 -0.42 118.68 125.22 2jsx s LEU 44 Ca 0.12 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 2jsx s LEU 44 Cb -0.12 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2jsx s LEU 44 CO 0.02 0.07 0.66 -0.63 0.23 0.00 0.00 176.35 176.70 2jsx s ILE 45 N 0.90 4.91 -0.14 -0.59 -1.09 0.10 -0.53 121.20 124.76 2jsx s ILE 45 Ca -0.03 0.88 0.02 0.00 -2.23 0.00 0.00 60.65 59.29 2jsx s ILE 45 Cb -0.15 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 2jsx s ILE 45 CO -0.01 -0.18 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.62 2jsx s VAL 46 N 2.68 2.09 -0.35 2.92 1.01 0.46 0.05 120.40 129.25 2jsx s VAL 46 Ca 0.26 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 2jsx s VAL 46 Cb -0.15 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2jsx s VAL 46 CO 0.12 0.55 0.53 -0.69 0.00 0.00 0.00 175.10 175.61 2jsx s VAL 47 N 0.79 5.00 -0.17 2.92 1.01 0.12 0.57 120.40 130.65 2jsx s VAL 47 Ca -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2jsx s VAL 47 Cb -0.16 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 2jsx s VAL 47 CO -0.01 -0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.03 2jsx s VAL 48 N 2.44 2.84 -0.03 2.92 1.01 0.82 -1.37 120.40 129.03 2jsx s VAL 48 Ca 0.19 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2jsx s VAL 48 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2jsx s VAL 48 CO 0.14 0.50 -0.20 -1.83 0.00 0.00 0.00 175.10 173.70 2jsx s GLU 49 N 0.92 2.30 0.04 2.72 1.03 -0.98 0.05 118.70 124.78 2jsx s GLU 49 Ca -0.03 -0.82 -0.07 0.00 0.03 0.00 0.00 54.97 54.08 2jsx s GLU 49 Cb -0.15 -2.20 -0.00 0.00 -0.80 0.00 0.00 34.13 30.97 2jsx s GLU 49 CO -0.01 0.59 0.14 0.00 -1.33 0.00 0.00 175.26 174.65 2jsx s ALA 50 N -0.68 -0.20 0.00 -0.84 0.00 -0.18 -4.76 121.76 115.11 2jsx s ALA 50 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2jsx s ALA 50 Cb -0.10 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2jsx s ALA 50 CO -0.00 -0.34 0.47 0.39 0.00 0.00 0.00 175.76 176.28 2jsx n GLU 51 N 0.73 0.00 -3.20 0.00 1.02 -1.26 -1.56 120.64 116.38 2jsx n GLU 51 Ca -0.19 0.35 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 2jsx n GLU 51 Cb 0.59 -1.12 0.04 0.00 -0.02 0.00 0.00 31.44 30.92 2jsx n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jsx s ASP 52 N -2.17 5.10 0.13 1.62 1.01 -1.26 -4.13 116.67 116.97 2jsx s ASP 52 Ca 0.00 -0.85 -0.11 0.00 0.71 0.00 0.00 52.55 52.30 2jsx s ASP 52 Cb 0.00 0.14 -0.08 0.00 1.01 0.00 0.00 42.92 43.99 2jsx s ASP 52 CO 0.00 -1.19 1.42 0.28 0.21 0.00 0.00 175.17 175.90 2jsx h SER 53 N 0.38 0.99 -0.78 0.27 0.02 -1.99 -2.32 113.55 110.11 2jsx h SER 53 Ca -0.33 -0.51 -0.04 0.00 -0.84 0.00 0.00 61.79 60.07 2jsx h SER 53 Cb 1.29 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 2jsx h SER 53 CO 0.45 1.32 0.34 1.05 -1.14 0.00 0.00 176.83 178.84 2jsx h GLU 54 N 0.70 1.16 0.00 3.45 4.11 -1.99 -0.55 114.58 121.45 2jsx h GLU 54 Ca 0.02 -0.20 -0.07 0.00 0.07 0.00 0.00 59.36 59.19 2jsx h GLU 54 Cb 1.12 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2jsx h GLU 54 CO 0.12 0.92 -0.34 1.79 0.07 0.00 0.00 179.01 181.57 2jsx h THR 55 N 1.13 1.20 -0.15 -1.06 1.35 -1.95 -2.60 112.91 110.83 2jsx h THR 55 Ca 0.26 -1.18 -0.05 0.00 -0.55 0.00 0.00 66.41 64.89 2jsx h THR 55 Cb 0.18 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2jsx h THR 55 CO -0.03 0.33 -0.10 0.25 -0.25 0.00 0.00 175.52 175.72 2jsx h LEU 56 N 0.00 0.36 -0.20 3.87 5.85 -0.65 -2.96 115.31 121.58 2jsx h LEU 56 Ca -0.00 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2jsx h LEU 56 Cb 0.62 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2jsx h LEU 56 CO 0.04 0.72 -0.13 0.40 -0.34 0.00 0.00 178.44 179.13 2jsx h ILE 57 N -0.00 0.61 -0.75 4.05 2.04 -0.84 -1.81 117.51 120.81 2jsx h ILE 57 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2jsx h ILE 57 Cb 0.60 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2jsx h ILE 57 CO 0.03 0.00 0.48 1.56 0.00 0.00 0.00 178.15 180.21 2jsx h GLN 58 N -0.13 0.90 -0.51 2.37 4.20 -1.50 0.13 115.11 120.57 2jsx h GLN 58 Ca 0.12 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2jsx h GLN 58 Cb 0.30 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2jsx h GLN 58 CO -0.28 0.60 0.21 1.15 -0.67 0.00 0.00 178.83 179.84 2jsx h THR 59 N 0.93 1.21 -0.77 -0.54 2.02 -1.29 -1.09 112.91 113.38 2jsx h THR 59 Ca 0.30 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2jsx h THR 59 Cb 0.01 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2jsx h THR 59 CO -0.11 0.24 0.37 0.40 0.37 0.00 0.00 175.52 176.79 2jsx h ILE 60 N 0.69 1.25 -0.74 3.11 2.04 -0.46 -0.42 117.51 122.97 2jsx h ILE 60 Ca 0.17 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2jsx h ILE 60 Cb 0.18 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2jsx h ILE 60 CO -0.02 0.29 0.46 -0.33 0.00 0.00 0.00 178.15 178.55 2jsx h GLU 61 N 1.09 1.00 -0.69 2.37 5.08 -0.41 0.82 114.58 123.85 2jsx h GLU 61 Ca 0.27 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2jsx h GLU 61 Cb 0.12 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2jsx h GLU 61 CO -0.03 0.70 0.14 1.03 -1.00 0.00 0.00 179.01 179.84 2jsx h SER 62 N 1.01 1.08 -0.76 1.42 0.87 -0.59 -2.11 113.55 114.48 2jsx h SER 62 Ca 0.27 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2jsx h SER 62 Cb -0.05 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.59 2jsx h SER 62 CO -0.05 1.05 0.32 0.58 -0.53 0.00 0.00 176.83 178.20 2jsx h VAL 63 N 1.06 1.25 0.00 2.23 2.07 -0.39 -1.54 116.25 120.93 2jsx h VAL 63 Ca 0.21 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2jsx h VAL 63 Cb 0.42 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2jsx h VAL 63 CO 0.01 0.32 0.00 0.54 0.02 0.00 0.00 177.57 178.46 2jsx n ARG 64 N -4.29 0.04 -0.16 1.57 1.74 0.22 -2.23 116.66 113.55 2jsx n ARG 64 Ca 0.07 0.22 0.08 0.00 -0.77 0.00 0.00 57.85 57.44 2jsx n ARG 64 Cb 0.18 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.35 2jsx n ARG 64 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jsx n ASN 65 N -1.46 2.02 -4.76 0.55 3.02 -0.58 -4.86 115.26 109.20 2jsx n ASN 65 Ca 0.04 -1.91 -0.39 0.00 -0.03 0.00 0.00 54.58 52.29 2jsx n ASN 65 Cb 0.17 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 2jsx n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jsx s VAL 66 N -1.57 4.84 0.13 2.41 1.01 -0.95 -4.98 120.40 121.28 2jsx s VAL 66 Ca 0.29 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 2jsx s VAL 66 Cb 0.15 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2jsx s VAL 66 CO 0.21 0.40 1.57 -0.08 0.00 0.00 0.00 175.10 177.21 2jsx h GLU 67 N 5.61 -0.48 0.00 2.72 4.81 -1.90 -2.89 114.58 122.44 2jsx h GLU 67 Ca -0.45 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2jsx h GLU 67 Cb 1.20 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2jsx h GLU 67 CO 0.70 -0.32 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 2jsx n GLY 68 N -1.43 -0.86 3.81 1.92 0.00 -1.26 -4.79 105.19 102.57 2jsx n GLY 68 Ca -0.04 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2jsx n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jsx s VAL 69 N -2.00 4.87 -0.10 1.61 1.01 -1.10 -2.31 120.40 122.39 2jsx s VAL 69 Ca 0.24 1.09 -0.10 0.00 0.00 0.00 0.00 61.98 63.21 2jsx s VAL 69 Cb 0.11 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2jsx s VAL 69 CO 0.18 0.53 -0.21 0.18 0.00 0.00 0.00 175.10 175.78 2jsx n LEU 70 N 1.99 1.45 -3.88 3.92 4.77 0.26 -4.97 117.00 120.55 2jsx n LEU 70 Ca -0.11 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.92 2jsx n LEU 70 Cb 0.51 -0.55 -0.16 0.00 -2.33 0.00 0.00 43.42 40.89 2jsx n LEU 70 CO 0.40 -0.18 -0.40 0.00 -1.33 0.00 0.00 177.39 175.89 2jsx s ALA 71 N -2.46 0.55 -0.35 -1.18 0.00 -0.75 -5.00 121.76 112.56 2jsx s ALA 71 Ca -0.19 -0.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 2jsx s ALA 71 Cb 0.05 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.85 2jsx s ALA 71 CO 0.27 -0.01 0.14 0.08 0.00 0.00 0.00 175.76 176.24 2jsx s VAL 72 N 0.82 3.98 -0.27 0.00 1.01 -1.26 0.04 120.40 124.73 2jsx s VAL 72 Ca -0.10 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 2jsx s VAL 72 Cb -0.13 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2jsx s VAL 72 CO -0.00 -0.23 0.16 -0.44 0.00 0.00 0.00 175.10 174.59 2jsx s SER 73 N 1.50 5.78 0.19 3.32 0.01 0.71 -4.97 113.70 120.25 2jsx s SER 73 Ca -0.00 -0.06 -0.22 0.00 1.31 0.00 0.00 55.95 56.98 2jsx s SER 73 Cb -0.20 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 63.88 2jsx s SER 73 CO 0.03 -0.04 0.74 -0.22 0.41 0.00 0.00 173.24 174.16 2jsx s LEU 74 N 1.71 4.44 0.58 2.44 0.20 -1.26 -0.26 118.68 126.54 2jsx s LEU 74 Ca 0.07 1.50 0.37 0.00 0.69 0.00 0.00 54.13 56.75 2jsx s LEU 74 Cb -0.16 -3.44 1.68 0.00 -0.43 0.00 0.00 46.19 43.84 2jsx s LEU 74 CO 0.09 0.11 2.10 1.62 -0.29 0.00 0.00 176.35 179.98 2jsx h VAL 75 N 3.01 0.01 -2.70 1.68 3.04 -1.69 -3.42 116.25 116.18 2jsx h VAL 75 Ca -0.48 -0.37 -0.12 0.00 -1.01 0.00 0.00 66.70 64.72 2jsx h VAL 75 Cb 1.20 1.37 -0.26 0.00 -2.01 0.00 0.00 31.29 31.58 2jsx h VAL 75 CO 0.65 0.00 -0.30 -0.47 -1.01 0.00 0.00 177.57 176.44 2jsx s TYR 76 N -3.81 -0.55 -0.16 3.17 5.04 -1.26 -5.03 117.35 114.74 2jsx s TYR 76 Ca -0.01 1.21 -0.27 0.00 -2.44 0.00 0.00 57.07 55.56 2jsx s TYR 76 Cb 0.10 0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.63 2jsx s TYR 76 CO 0.51 -0.31 0.93 -1.58 -1.34 0.00 0.00 175.55 173.76 2jsx s HIS 77 N 1.18 3.43 0.64 4.97 5.65 -1.26 -5.03 115.29 124.87 2jsx s HIS 77 Ca -0.08 1.41 -0.11 0.00 0.25 0.00 0.00 55.06 56.53 2jsx s HIS 77 Cb -0.08 -3.13 0.16 0.00 -1.18 0.00 0.00 32.58 28.36 2jsx s HIS 77 CO -0.10 -0.29 0.59 0.00 -0.65 0.00 0.00 174.74 174.29 2jsx n GLN 78 N 5.40 -2.00 -4.48 2.88 10.64 -1.26 -5.08 117.38 123.48 2jsx n GLN 78 Ca 0.07 -0.95 -0.23 0.00 -1.83 0.00 0.00 57.00 54.07 2jsx n GLN 78 Cb 0.48 -0.85 -0.10 0.00 -0.86 0.00 0.00 30.24 28.91 2jsx n GLN 78 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2jsx s GLN 79 N -4.34 1.73 -1.45 2.61 -2.07 -1.26 -5.03 119.66 109.85 2jsx s GLN 79 Ca 0.38 -1.99 -0.14 0.00 -1.82 0.00 0.00 55.36 51.80 2jsx s GLN 79 Cb -0.03 -0.85 0.05 0.00 -1.09 0.00 0.00 33.01 31.09 2jsx s GLN 79 CO 0.29 -0.25 2.21 0.39 -1.32 0.00 0.00 175.29 176.61 2jsx n GLU 80 N -0.76 2.93 -0.20 9.60 -0.58 -1.26 -4.63 120.64 125.75 2jsx n GLU 80 Ca -0.04 -2.67 -0.09 0.00 -0.42 0.00 0.00 57.16 53.94 2jsx n GLU 80 Cb 0.66 -3.25 0.02 0.00 -0.57 0.00 0.00 31.44 28.30 2jsx n GLU 80 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2jsx h GLU 81 N 5.96 0.98 -3.51 3.49 4.81 -2.01 -3.23 114.58 121.08 2jsx h GLU 81 Ca 0.56 -0.30 -0.69 0.00 -0.13 0.00 0.00 59.36 58.80 2jsx h GLU 81 Cb 0.63 -0.10 -0.36 0.00 0.63 0.00 0.00 28.75 29.56 2jsx h GLU 81 CO 1.87 0.97 -0.36 -0.65 -0.73 0.00 0.00 179.01 180.11 2jsx s GLN 82 N -5.07 2.60 0.42 1.92 -1.52 -1.26 -5.08 119.66 111.67 2jsx s GLN 82 Ca -0.12 -2.65 -0.03 0.00 -1.95 0.00 0.00 55.36 50.61 2jsx s GLN 82 Cb 0.13 -3.71 -0.03 0.00 -0.22 0.00 0.00 33.01 29.17 2jsx s GLN 82 CO 0.84 -1.18 0.68 0.20 -0.25 0.00 0.00 175.29 175.58 2jsx s GLY 83 N 0.44 1.43 -1.37 3.09 0.00 -1.22 -4.22 107.32 105.47 2jsx s GLY 83 Ca 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2jsx s GLY 83 CO -0.04 -0.56 0.00 1.18 0.00 0.00 0.00 173.10 173.68 2jsx n GLU 84 N -2.06 -1.00 0.15 2.90 1.02 -1.26 -4.86 120.64 115.52 2jsx n GLU 84 Ca -0.02 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2jsx n GLU 84 Cb 0.56 -5.03 0.20 0.00 -0.02 0.00 0.00 31.44 27.15 2jsx n GLU 84 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jsx h GLU 85 N 0.00 0.00 -3.62 3.49 4.39 -2.02 -3.31 114.58 113.51 2jsx h GLU 85 Ca -0.30 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.75 2jsx h GLU 85 Cb 1.01 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.26 2jsx h GLU 85 CO 0.40 0.57 -0.60 -0.08 -1.16 0.00 0.00 179.01 178.15 2jsx s THR 86 N -3.56 2.75 0.80 1.13 -1.32 -1.26 -5.11 115.64 109.07 2jsx s THR 86 Ca -0.01 -3.11 -0.12 0.00 -1.21 0.00 0.00 61.69 57.25 2jsx s THR 86 Cb 0.12 -2.90 0.08 0.00 -1.51 0.00 0.00 72.50 68.29 2jsx s THR 86 CO 0.75 -0.78 1.16 -2.16 -2.21 0.00 0.00 174.62 171.38 2jsx s PRO 87 N -0.06 2.01 0.19 7.08 0.04 -1.25 -4.98 135.00 138.03 2jsx s PRO 87 Ca 0.16 0.18 0.09 0.00 0.04 0.00 0.00 61.00 61.47 2jsx s PRO 87 Cb -0.24 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.40 2jsx s PRO 87 CO -0.02 -1.58 1.43 0.07 0.04 0.00 0.00 177.00 176.94 2jsx h ARG 88 N -1.05 0.00 -5.93 4.56 0.11 -1.99 -3.40 114.38 106.69 2jsx h ARG 88 Ca -0.46 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.00 2jsx h ARG 88 Cb 1.32 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.28 2jsx h ARG 88 CO 0.65 0.81 0.45 0.45 0.10 0.00 0.00 179.97 182.43 2jsx s SER 89 N -6.74 6.48 0.45 0.08 0.15 -1.26 -4.89 113.70 107.97 2jsx s SER 89 Ca 0.00 0.08 0.25 0.00 0.70 0.00 0.00 55.95 56.98 2jsx s SER 89 Cb 0.11 -2.41 0.56 0.00 -1.71 0.00 0.00 66.02 62.56 2jsx s SER 89 CO 0.79 -0.93 1.68 0.45 1.20 0.00 0.00 173.24 176.43 2jsx h HIS 90 N 8.90 0.00 -3.40 3.44 3.86 -2.01 -3.43 115.15 122.52 2jsx h HIS 90 Ca -0.24 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.42 2jsx h HIS 90 Cb 1.08 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 2jsx h HIS 90 CO 0.82 0.05 -0.00 -1.01 0.86 0.00 0.00 177.93 178.66 2jsx s HIS 91 N -3.30 3.67 0.57 2.45 3.76 -1.26 -5.06 115.29 116.12 2jsx s HIS 91 Ca 0.05 1.23 -0.14 0.00 -0.15 0.00 0.00 55.06 56.05 2jsx s HIS 91 Cb 0.06 -2.49 -0.06 0.00 1.11 0.00 0.00 32.58 31.20 2jsx s HIS 91 CO 0.65 0.43 1.01 -1.01 -0.85 0.00 0.00 174.74 174.97 2jsx s HIS 92 N -1.41 3.45 0.25 1.40 0.09 -1.26 -4.96 115.29 112.85 2jsx s HIS 92 Ca 0.38 1.41 0.06 0.00 -0.00 0.00 0.00 55.06 56.91 2jsx s HIS 92 Cb -0.17 -2.79 0.29 0.00 -0.00 0.00 0.00 32.58 29.91 2jsx s HIS 92 CO 0.20 -0.60 1.58 1.25 -0.00 0.00 0.00 174.74 177.17 2jsx h HIS 93 N 0.36 0.23 -3.39 1.40 2.76 -1.97 -3.43 115.15 111.12 2jsx h HIS 93 Ca -0.46 -0.09 -0.55 0.00 -2.20 0.00 0.00 60.37 57.07 2jsx h HIS 93 Cb 1.19 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.07 2jsx h HIS 93 CO 0.64 0.73 0.11 -1.01 -1.30 0.00 0.00 177.93 177.10 2jsx s HIS 94 N -3.75 3.72 -0.86 5.26 3.76 -1.26 -5.31 115.29 116.85 2jsx s HIS 94 Ca -0.03 1.39 0.07 0.00 -0.15 0.00 0.00 55.06 56.33 2jsx s HIS 94 Cb 0.12 -2.76 0.05 0.00 1.11 0.00 0.00 32.58 31.11 2jsx s HIS 94 CO 0.79 0.29 0.72 -2.39 -0.85 0.00 0.00 174.74 173.30