#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 3.39 -0.36 2.03 4.02 -1.26 -4.88 115.29 118.23 2jsx s HIS 2 Ca 0.00 1.37 0.14 0.00 1.02 0.00 0.00 55.06 57.58 2jsx s HIS 2 Cb 0.00 -3.35 0.42 0.00 -1.02 0.00 0.00 32.58 28.64 2jsx s HIS 2 CO 0.00 -0.97 1.10 2.41 1.02 0.00 0.00 174.74 178.30 2jsx n THR 3 N 4.23 0.51 -2.60 1.30 -1.04 -1.26 -4.94 114.28 110.48 2jsx n THR 3 Ca 0.09 -2.48 -0.15 0.00 -2.04 0.00 0.00 64.05 59.48 2jsx n THR 3 Cb 0.47 0.78 0.02 0.00 -1.82 0.00 0.00 70.33 69.78 2jsx n THR 3 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2jsx n ASN 4 N -0.23 2.57 -4.75 8.00 4.13 -1.26 -5.09 115.26 118.64 2jsx n ASN 4 Ca 0.05 -3.03 -0.34 0.00 1.68 0.00 0.00 54.58 52.94 2jsx n ASN 4 Cb 0.82 -0.50 0.06 0.00 -1.54 0.00 0.00 39.78 38.62 2jsx n ASN 4 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 2jsx s TRP 5 N -3.30 2.33 0.00 3.10 1.48 -1.26 -4.94 118.94 116.36 2jsx s TRP 5 Ca 0.34 1.57 -0.12 0.00 -1.06 0.00 0.00 56.10 56.83 2jsx s TRP 5 Cb 0.43 -3.36 -0.05 0.00 -1.16 0.00 0.00 33.47 29.33 2jsx s TRP 5 CO -0.04 -2.17 0.36 -0.65 -4.06 0.00 0.00 176.95 170.39 2jsx s GLN 6 N -3.84 3.79 0.01 3.25 1.11 0.12 -4.89 119.66 119.20 2jsx s GLN 6 Ca 0.72 0.24 0.07 0.00 0.01 0.00 0.00 55.36 56.40 2jsx s GLN 6 Cb -0.26 -3.15 -0.02 0.00 -1.01 0.00 0.00 33.01 28.57 2jsx s GLN 6 CO 0.41 0.67 -0.20 0.14 0.01 0.00 0.00 175.29 176.32 2jsx s VAL 7 N -1.17 1.60 0.04 1.09 -7.23 -1.26 -1.92 120.40 111.57 2jsx s VAL 7 Ca 0.25 -0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 59.38 2jsx s VAL 7 Cb -0.15 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 2jsx s VAL 7 CO 0.13 0.35 0.10 0.00 -0.31 0.00 0.00 175.10 175.38 2jsx s SER 9 N -2.18 5.15 -0.06 0.00 0.15 -1.26 -0.49 113.70 115.01 2jsx s SER 9 Ca -0.04 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.57 2jsx s SER 9 Cb -0.01 -1.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.00 2jsx s SER 9 CO -0.05 0.23 -0.13 -0.76 1.20 0.00 0.00 173.24 173.74 2jsx s LEU 10 N -1.91 1.68 -0.54 3.45 1.43 0.60 -1.22 118.68 122.17 2jsx s LEU 10 Ca 0.23 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 2jsx s LEU 10 Cb -0.12 -0.83 0.09 0.00 0.03 0.00 0.00 46.19 45.36 2jsx s LEU 10 CO 0.14 0.05 0.61 -0.69 0.23 0.00 0.00 176.35 176.69 2jsx s VAL 11 N 0.58 4.95 -0.52 -1.59 1.01 0.40 -1.18 120.40 124.05 2jsx s VAL 11 Ca -0.13 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 2jsx s VAL 11 Cb -0.15 -4.35 0.07 0.00 0.00 0.00 0.00 36.38 31.94 2jsx s VAL 11 CO 0.03 -0.91 0.65 -0.69 0.00 0.00 0.00 175.10 174.19 2jsx s VAL 12 N 2.37 4.85 -0.42 2.92 1.01 0.60 -0.80 120.40 130.93 2jsx s VAL 12 Ca 0.10 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 2jsx s VAL 12 Cb -0.23 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 31.82 2jsx s VAL 12 CO 0.08 -0.88 0.82 -1.58 0.00 0.00 0.00 175.10 173.54 2jsx s GLN 13 N 2.68 3.56 0.26 2.72 2.00 0.13 -0.37 119.66 130.63 2jsx s GLN 13 Ca 0.15 0.10 0.02 0.00 -2.00 0.00 0.00 55.36 53.63 2jsx s GLN 13 Cb -0.20 -3.89 -0.04 0.00 0.80 0.00 0.00 33.01 29.68 2jsx s GLN 13 CO 0.11 -1.05 0.14 0.00 -0.50 0.00 0.00 175.29 173.99 2jsx s ALA 14 N 3.33 1.64 -0.09 1.58 0.00 0.28 0.29 121.76 128.79 2jsx s ALA 14 Ca 0.32 -1.79 -0.32 0.00 0.00 0.00 0.00 51.96 50.17 2jsx s ALA 14 Cb -0.12 1.22 -0.10 0.00 0.00 0.00 0.00 23.12 24.12 2jsx s ALA 14 CO 0.21 -0.53 2.00 1.63 0.00 0.00 0.00 175.76 179.08 2jsx n LYS 15 N -0.45 2.29 -0.21 0.00 4.01 -0.25 -4.60 118.16 118.94 2jsx n LYS 15 Ca 0.01 0.80 0.09 0.00 -0.51 0.00 0.00 58.31 58.71 2jsx n LYS 15 Cb 0.65 -2.86 0.38 0.00 -0.51 0.00 0.00 35.03 32.69 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 10.99 0.63 0.75 4.39 0.87 -1.85 0.56 113.55 129.90 2jsx h SER 16 Ca -0.46 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2jsx h SER 16 Cb 1.26 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2jsx h SER 16 CO 0.95 0.37 0.00 1.05 -0.53 0.00 0.00 176.83 178.67 2jsx h GLU 17 N 0.70 0.00 0.00 2.24 4.11 -1.90 -3.08 114.58 116.65 2jsx h GLU 17 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2jsx h GLU 17 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jsx h GLU 17 CO -0.14 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 176.81 2jsx n ARG 18 N -2.68 2.21 -0.17 1.06 0.63 0.09 -4.79 116.66 113.02 2jsx n ARG 18 Ca 0.01 -1.25 -0.02 0.00 -0.92 0.00 0.00 57.85 55.67 2jsx n ARG 18 Cb 0.24 -0.91 0.08 0.00 0.45 0.00 0.00 32.46 32.31 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 0.52 0.68 -0.69 5.15 1.08 -1.19 -0.36 117.51 122.70 2jsx h ILE 19 Ca 0.00 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 2jsx h ILE 19 Cb 0.55 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 2jsx h ILE 19 CO 0.00 0.04 0.41 0.28 -0.69 0.00 0.00 178.15 178.19 2jsx h SER 20 N 0.22 0.65 0.03 1.72 0.02 -1.86 0.20 113.55 114.52 2jsx h SER 20 Ca 0.27 0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.96 2jsx h SER 20 Cb 0.38 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 62.82 2jsx h SER 20 CO -0.36 0.43 -1.06 -0.78 -1.14 0.00 0.00 176.83 173.92 2jsx h ASP 21 N 0.78 0.90 -0.60 3.07 3.58 -1.76 -2.75 116.42 119.63 2jsx h ASP 21 Ca 0.29 -0.73 -0.05 0.00 0.42 0.00 0.00 57.03 56.96 2jsx h ASP 21 Cb 0.10 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 2jsx h ASP 21 CO -0.14 1.53 0.18 0.40 -2.88 0.00 0.00 179.24 178.33 2jsx h ILE 22 N 0.38 1.24 -0.20 2.25 2.04 -0.73 -1.52 117.51 120.98 2jsx h ILE 22 Ca -0.13 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 2jsx h ILE 22 Cb 1.71 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2jsx h ILE 22 CO 0.21 0.33 -0.15 -1.28 0.00 0.00 0.00 178.15 177.25 2jsx h SER 23 N 0.94 0.32 0.43 1.72 0.87 -0.58 0.21 113.55 117.46 2jsx h SER 23 Ca 0.21 -0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 2jsx h SER 23 Cb 0.30 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2jsx h SER 23 CO -0.01 0.50 -0.67 0.74 -0.53 0.00 0.00 176.83 176.86 2jsx h THR 24 N 0.31 1.42 -0.10 2.23 2.02 -1.06 -0.82 112.91 116.90 2jsx h THR 24 Ca 0.06 -2.14 -0.10 0.00 0.77 0.00 0.00 66.41 65.00 2jsx h THR 24 Cb 0.46 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2jsx h THR 24 CO 0.03 0.63 -0.32 1.56 0.37 0.00 0.00 175.52 177.78 2jsx h GLN 25 N 0.15 0.39 -0.65 6.66 4.20 -0.61 -3.00 115.11 122.25 2jsx h GLN 25 Ca -0.01 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 2jsx h GLN 25 Cb 1.20 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 2jsx h GLN 25 CO 0.10 0.92 0.08 -0.07 -0.67 0.00 0.00 178.83 179.19 2jsx h LEU 26 N -0.06 1.04 0.00 1.46 3.38 -0.42 -2.31 115.31 118.40 2jsx h LEU 26 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2jsx h LEU 26 Cb 0.95 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2jsx h LEU 26 CO 0.07 1.04 0.00 0.59 0.09 0.00 0.00 178.44 180.23 2jsx n ASN 27 N -4.21 0.00 0.09 -0.43 3.02 -0.33 -2.64 115.26 110.76 2jsx n ASN 27 Ca 0.04 -0.25 0.07 0.00 -0.03 0.00 0.00 54.58 54.41 2jsx n ASN 27 Cb 0.30 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jsx h ALA 28 N 3.04 0.61 -2.68 5.41 0.00 -1.26 -3.47 119.26 120.91 2jsx h ALA 28 Ca 0.00 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 54.07 2jsx h ALA 28 Cb 0.10 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jsx h ALA 28 CO 0.00 0.39 0.39 -0.06 0.00 0.00 0.00 179.25 179.97 2jsx s PHE 29 N -3.16 3.73 -0.33 0.00 0.08 -1.08 -4.96 117.98 112.26 2jsx s PHE 29 Ca -0.00 1.80 -0.29 0.00 0.12 0.00 0.00 56.93 58.55 2jsx s PHE 29 Cb 0.09 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 39.46 2jsx s PHE 29 CO 0.79 -0.01 1.56 -2.14 -0.10 0.00 0.00 175.22 175.32 2jsx s PRO 30 N -1.59 3.60 0.00 0.24 0.02 -1.26 -1.98 135.00 134.03 2jsx s PRO 30 Ca 0.46 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2jsx s PRO 30 Cb -0.26 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.20 2jsx s PRO 30 CO 0.32 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 2jsx n GLY 31 N 4.99 0.46 3.43 0.52 0.00 -1.26 -4.95 105.19 108.38 2jsx n GLY 31 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 1.27 0.12 -0.37 0.00 2.12 -1.02 -4.22 118.70 116.60 2jsx s GLU 33 Ca 0.04 0.28 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 2jsx s GLU 33 Cb -0.15 -0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.21 2jsx s GLU 33 CO 0.01 -0.09 1.09 0.08 -0.54 0.00 0.00 175.26 175.81 2jsx s VAL 34 N 0.62 4.41 -0.17 3.70 1.01 -1.26 -0.46 120.40 128.25 2jsx s VAL 34 Ca -0.05 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.31 2jsx s VAL 34 Cb -0.06 -4.48 -0.14 0.00 0.00 0.00 0.00 36.38 31.70 2jsx s VAL 34 CO -0.03 -0.66 0.18 0.00 0.00 0.00 0.00 175.10 174.59 2jsx h ALA 35 N 8.49 0.12 -3.46 5.51 0.00 -1.00 -3.47 119.26 125.45 2jsx h ALA 35 Ca -0.21 -0.76 -0.68 0.00 0.00 0.00 0.00 54.91 53.26 2jsx h ALA 35 Cb 1.06 0.47 -0.32 0.00 0.00 0.00 0.00 17.79 19.00 2jsx h ALA 35 CO 1.06 0.45 -0.86 0.08 0.00 0.00 0.00 179.25 179.98 2jsx s VAL 36 N -2.21 2.22 -0.26 0.00 1.01 -1.14 -5.01 120.40 115.01 2jsx s VAL 36 Ca -0.20 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.83 2jsx s VAL 36 Cb 0.03 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.62 2jsx s VAL 36 CO 0.44 0.56 -0.07 -0.94 0.00 0.00 0.00 175.10 175.09 2jsx s SER 37 N 0.24 4.20 -0.74 3.32 1.04 -1.26 -0.17 113.70 120.33 2jsx s SER 37 Ca -0.15 -1.36 -0.06 0.00 0.48 0.00 0.00 55.95 54.86 2jsx s SER 37 Cb -0.17 -1.38 0.19 0.00 0.10 0.00 0.00 66.02 64.76 2jsx s SER 37 CO 0.08 -0.23 0.61 -0.62 0.98 0.00 0.00 173.24 174.06 2jsx s ASP 38 N 1.23 5.86 0.25 7.02 2.15 -0.27 -4.95 116.67 127.96 2jsx s ASP 38 Ca -0.06 -2.97 -0.04 0.00 0.43 0.00 0.00 52.55 49.92 2jsx s ASP 38 Cb -0.19 -1.98 0.40 0.00 -0.30 0.00 0.00 42.92 40.85 2jsx s ASP 38 CO -0.06 -0.40 1.84 0.00 -0.17 0.00 0.00 175.17 176.38 2jsx h ALA 39 N 7.08 1.25 -0.78 3.66 0.00 -1.95 -1.07 119.26 127.45 2jsx h ALA 39 Ca 0.05 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.14 2jsx h ALA 39 Cb 0.96 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 2jsx h ALA 39 CO 0.75 0.22 0.28 -1.00 0.00 0.00 0.00 179.25 179.50 2jsx h PRO 40 N 0.92 0.36 0.02 0.00 0.13 -1.94 -2.17 132.00 129.33 2jsx h PRO 40 Ca 0.41 -0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 65.23 2jsx h PRO 40 Cb 0.30 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.30 2jsx h PRO 40 CO -0.22 0.24 -1.62 0.66 -0.23 0.00 0.00 178.00 176.83 2jsx h SER 41 N 0.38 0.07 0.00 1.44 4.64 -1.96 -3.48 113.55 114.63 2jsx h SER 41 Ca 0.45 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2jsx h SER 41 Cb 0.76 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2jsx h SER 41 CO -0.47 1.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 2jsx n GLY 42 N 1.58 1.00 3.58 -0.77 0.00 -0.46 -4.77 105.19 105.35 2jsx n GLY 42 Ca -0.16 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.10 3.83 -0.14 1.61 -0.21 -0.89 -0.56 119.66 122.19 2jsx s GLN 43 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 54.96 2jsx s GLN 43 Cb 0.00 -3.07 -0.01 0.00 1.00 0.00 0.00 33.01 30.93 2jsx s GLN 43 CO 0.00 0.27 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.79 2jsx s LEU 44 N 0.33 2.58 -0.30 2.90 1.43 0.50 -1.11 118.68 125.01 2jsx s LEU 44 Ca 0.00 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 2jsx s LEU 44 Cb -0.13 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2jsx s LEU 44 CO 0.01 0.12 0.43 -0.63 0.23 0.00 0.00 176.35 176.51 2jsx s ILE 45 N 0.60 5.12 -0.12 -0.59 -1.09 0.76 -0.29 121.20 125.59 2jsx s ILE 45 Ca -0.08 0.50 -0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2jsx s ILE 45 Cb -0.16 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 2jsx s ILE 45 CO 0.03 0.02 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.97 2jsx s VAL 46 N 2.18 3.25 -0.28 2.92 1.01 -0.33 -0.28 120.40 128.88 2jsx s VAL 46 Ca 0.16 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2jsx s VAL 46 Cb -0.16 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2jsx s VAL 46 CO 0.11 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 175.14 2jsx s VAL 47 N 0.19 4.33 -0.24 2.92 1.01 0.39 -0.29 120.40 128.71 2jsx s VAL 47 Ca -0.06 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 2jsx s VAL 47 Cb -0.15 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2jsx s VAL 47 CO 0.04 0.21 0.17 -0.69 0.00 0.00 0.00 175.10 174.83 2jsx s VAL 48 N 1.59 5.36 -0.17 2.92 1.01 0.36 -2.43 120.40 129.04 2jsx s VAL 48 Ca 0.05 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2jsx s VAL 48 Cb -0.16 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2jsx s VAL 48 CO 0.04 0.35 -0.18 -1.61 0.00 0.00 0.00 175.10 173.70 2jsx s GLU 49 N 1.04 3.09 -0.16 2.72 2.02 0.64 -1.57 118.70 126.48 2jsx s GLU 49 Ca 0.08 -0.79 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 2jsx s GLU 49 Cb -0.13 -2.61 0.04 0.00 0.10 0.00 0.00 34.13 31.53 2jsx s GLU 49 CO 0.04 -0.12 0.45 0.00 0.02 0.00 0.00 175.26 175.65 2jsx s ALA 50 N 1.12 -1.12 0.11 5.21 0.00 -0.81 -4.35 121.76 121.93 2jsx s ALA 50 Ca 0.01 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 2jsx s ALA 50 Cb -0.14 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 2jsx s ALA 50 CO -0.07 -0.22 1.64 1.49 0.00 0.00 0.00 175.76 178.60 2jsx h GLU 51 N 5.34 0.42 -6.00 0.00 4.57 -1.92 0.37 114.58 117.36 2jsx h GLU 51 Ca -0.27 -0.08 -0.61 0.00 -1.18 0.00 0.00 59.36 57.22 2jsx h GLU 51 Cb 1.18 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 2jsx h GLU 51 CO 0.23 0.46 -0.32 -0.51 -1.18 0.00 0.00 179.01 177.69 2jsx s ASP 52 N -5.73 6.57 0.37 1.04 1.01 -1.26 -4.36 116.67 114.31 2jsx s ASP 52 Ca -0.13 0.67 0.17 0.00 0.71 0.00 0.00 52.55 53.96 2jsx s ASP 52 Cb 0.08 -2.13 0.71 0.00 1.01 0.00 0.00 42.92 42.59 2jsx s ASP 52 CO 0.73 0.22 1.77 -1.28 0.21 0.00 0.00 175.17 176.81 2jsx h SER 53 N 3.87 0.00 -0.13 0.27 0.87 -1.97 -0.54 113.55 115.92 2jsx h SER 53 Ca -0.50 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 59.86 2jsx h SER 53 Cb 1.20 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2jsx h SER 53 CO 0.66 0.39 -0.74 1.05 -0.53 0.00 0.00 176.83 177.67 2jsx h GLU 54 N 0.00 0.72 -0.34 2.24 4.11 -1.96 -2.35 114.58 117.01 2jsx h GLU 54 Ca -0.00 -0.61 -0.03 0.00 0.07 0.00 0.00 59.36 58.78 2jsx h GLU 54 Cb 0.82 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2jsx h GLU 54 CO 0.05 1.22 0.07 1.15 0.07 0.00 0.00 179.01 181.56 2jsx h THR 55 N 0.42 1.17 -0.09 -1.06 2.02 -1.84 0.40 112.91 113.93 2jsx h THR 55 Ca -0.06 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.54 2jsx h THR 55 Cb 1.38 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2jsx h THR 55 CO 0.15 0.21 -0.00 0.25 0.37 0.00 0.00 175.52 176.50 2jsx h LEU 56 N 0.49 -0.04 -0.21 2.58 5.85 -0.92 -1.03 115.31 122.02 2jsx h LEU 56 Ca 0.11 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jsx h LEU 56 Cb 0.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2jsx h LEU 56 CO -0.00 -0.01 0.12 0.40 -0.34 0.00 0.00 178.44 178.61 2jsx h ILE 57 N 0.02 1.11 -0.87 4.05 1.08 -0.76 -2.58 117.51 119.57 2jsx h ILE 57 Ca 0.04 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 64.30 2jsx h ILE 57 Cb 0.05 0.93 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 2jsx h ILE 57 CO -0.07 0.11 0.51 1.56 -0.69 0.00 0.00 178.15 179.57 2jsx h GLN 58 N 0.24 0.83 -0.31 2.37 4.20 -0.70 -0.59 115.11 121.14 2jsx h GLN 58 Ca 0.08 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 2jsx h GLN 58 Cb 0.07 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2jsx h GLN 58 CO -0.01 0.55 -0.22 1.15 -0.67 0.00 0.00 178.83 179.63 2jsx h THR 59 N 0.85 1.26 -0.11 -0.54 2.02 -0.97 -2.11 112.91 113.32 2jsx h THR 59 Ca 0.42 -1.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.23 2jsx h THR 59 Cb 0.37 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2jsx h THR 59 CO -0.24 0.41 -0.47 0.40 0.37 0.00 0.00 175.52 175.99 2jsx h ILE 60 N 0.52 1.33 -0.61 3.11 2.04 -0.80 -2.37 117.51 120.73 2jsx h ILE 60 Ca 0.08 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 2jsx h ILE 60 Cb 0.66 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 2jsx h ILE 60 CO 0.05 0.50 0.31 -0.33 0.00 0.00 0.00 178.15 178.67 2jsx h GLU 61 N 0.22 0.88 -0.33 2.37 5.08 -0.62 -1.76 114.58 120.41 2jsx h GLU 61 Ca 0.01 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2jsx h GLU 61 Cb 0.91 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2jsx h GLU 61 CO 0.07 0.69 0.13 0.77 -1.00 0.00 0.00 179.01 179.68 2jsx h SER 62 N 0.84 0.16 -0.98 1.42 0.02 -1.08 -2.39 113.55 111.54 2jsx h SER 62 Ca 0.21 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 2jsx h SER 62 Cb 0.09 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 2jsx h SER 62 CO -0.03 0.13 0.64 0.58 -1.14 0.00 0.00 176.83 177.01 2jsx h VAL 63 N 0.28 1.19 0.00 2.27 2.07 -1.06 -1.19 116.25 119.81 2jsx h VAL 63 Ca 0.14 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jsx h VAL 63 Cb 0.10 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2jsx h VAL 63 CO -0.13 0.23 0.00 0.54 0.02 0.00 0.00 177.57 178.22 2jsx n ARG 64 N -4.45 0.02 0.00 1.57 1.74 -0.69 -2.50 116.66 112.35 2jsx n ARG 64 Ca 0.13 0.13 0.13 0.00 -0.77 0.00 0.00 57.85 57.46 2jsx n ARG 64 Cb 0.08 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.49 0.62 -4.64 0.55 3.02 -0.45 -4.83 115.26 108.05 2jsx n ASN 65 Ca 0.06 -0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 53.72 2jsx n ASN 65 Cb 0.25 0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.72 4.42 -0.60 2.41 1.01 -1.04 -4.95 120.40 118.93 2jsx s VAL 66 Ca 0.19 1.65 -0.26 0.00 0.00 0.00 0.00 61.98 63.56 2jsx s VAL 66 Cb 0.19 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.30 2jsx s VAL 66 CO 0.58 -0.41 1.12 -1.61 0.00 0.00 0.00 175.10 174.77 2jsx s GLU 67 N 3.70 3.38 0.00 2.72 2.02 -1.26 -1.96 118.70 127.30 2jsx s GLU 67 Ca 0.49 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.43 2jsx s GLU 67 Cb -0.14 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 30.02 2jsx s GLU 67 CO 0.16 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 174.14 2jsx n GLY 68 N 5.14 0.41 3.81 -1.39 0.00 -1.26 -5.07 105.19 106.82 2jsx n GLY 68 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 4.78 -0.24 1.61 1.01 -0.83 -1.09 120.40 125.63 2jsx s VAL 69 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.19 2jsx s VAL 69 Cb 0.00 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.33 2jsx s VAL 69 CO 0.00 0.54 -0.22 0.18 0.00 0.00 0.00 175.10 175.60 2jsx n LEU 70 N 1.84 2.93 -3.66 3.92 4.77 0.15 -4.94 117.00 122.00 2jsx n LEU 70 Ca -0.10 -0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 55.69 2jsx n LEU 70 Cb 0.51 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2jsx n LEU 70 CO 0.41 0.90 0.20 0.00 -1.33 0.00 0.00 177.39 177.57 2jsx s ALA 71 N -2.49 -1.56 -0.35 -1.18 0.00 -0.53 -5.01 121.76 110.64 2jsx s ALA 71 Ca -0.33 2.02 -0.08 0.00 0.00 0.00 0.00 51.96 53.58 2jsx s ALA 71 Cb 0.09 -1.32 0.04 0.00 0.00 0.00 0.00 23.12 21.93 2jsx s ALA 71 CO 0.56 -0.48 0.14 0.08 0.00 0.00 0.00 175.76 176.05 2jsx s VAL 72 N 1.90 3.98 -0.23 0.00 1.01 -1.26 0.21 120.40 126.00 2jsx s VAL 72 Ca -0.08 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 2jsx s VAL 72 Cb -0.08 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2jsx s VAL 72 CO -0.17 -0.21 0.24 -0.55 0.00 0.00 0.00 175.10 174.41 2jsx s SER 73 N 1.48 6.21 0.00 3.32 0.15 0.02 -4.94 113.70 119.94 2jsx s SER 73 Ca -0.01 0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.61 2jsx s SER 73 Cb -0.20 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2jsx s SER 73 CO 0.04 0.01 0.80 -0.22 1.20 0.00 0.00 173.24 175.07 2jsx s LEU 74 N 1.21 4.39 0.00 3.45 0.20 -1.26 -0.45 118.68 126.22 2jsx s LEU 74 Ca 0.11 1.43 0.23 0.00 0.69 0.00 0.00 54.13 56.59 2jsx s LEU 74 Cb -0.14 -3.28 1.28 0.00 -0.43 0.00 0.00 46.19 43.62 2jsx s LEU 74 CO 0.06 -0.09 1.74 0.52 -0.29 0.00 0.00 176.35 178.29 2jsx n VAL 75 N 3.34 0.13 -3.69 1.68 0.31 -0.35 -4.25 118.33 115.49 2jsx n VAL 75 Ca 0.00 0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.07 2jsx n VAL 75 Cb 0.51 -0.67 -0.15 0.00 -0.91 0.00 0.00 33.84 32.62 2jsx n VAL 75 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2jsx s TYR 76 N -2.24 1.25 -0.03 3.52 5.04 -1.26 -4.97 117.35 118.66 2jsx s TYR 76 Ca 0.29 -1.34 0.04 0.00 -2.44 0.00 0.00 57.07 53.62 2jsx s TYR 76 Cb 0.16 -1.37 -0.00 0.00 0.35 0.00 0.00 41.96 41.09 2jsx s TYR 76 CO 0.30 -0.80 -0.14 -1.58 -1.34 0.00 0.00 175.55 171.99 2jsx s HIS 77 N 1.78 1.37 0.05 4.97 2.46 -1.26 -5.12 115.29 119.54 2jsx s HIS 77 Ca 0.07 -0.36 0.09 0.00 0.47 0.00 0.00 55.06 55.32 2jsx s HIS 77 Cb -0.17 -0.93 -0.03 0.00 -0.13 0.00 0.00 32.58 31.32 2jsx s HIS 77 CO -0.23 -0.13 -0.24 -0.65 -2.47 0.00 0.00 174.74 171.02 2jsx s GLN 78 N 0.07 1.83 -0.15 2.88 -0.21 -1.26 -5.00 119.66 117.81 2jsx s GLN 78 Ca -0.03 -1.11 -0.21 0.00 0.02 0.00 0.00 55.36 54.04 2jsx s GLN 78 Cb -0.10 -2.02 -0.24 0.00 1.00 0.00 0.00 33.01 31.65 2jsx s GLN 78 CO 0.01 0.51 0.48 0.37 -2.12 0.00 0.00 175.29 174.54 2jsx h GLN 79 N 4.63 0.10 -4.34 2.91 4.15 -2.07 -3.44 115.11 117.05 2jsx h GLN 79 Ca -0.47 -0.16 -0.73 0.00 0.77 0.00 0.00 58.65 58.05 2jsx h GLN 79 Cb 1.15 0.06 -0.26 0.00 0.21 0.00 0.00 27.48 28.64 2jsx h GLN 79 CO 0.44 1.08 -0.38 -1.21 -1.93 0.00 0.00 178.83 176.83 2jsx s GLU 80 N -2.37 2.76 0.08 1.69 0.41 -1.26 -4.90 118.70 115.11 2jsx s GLU 80 Ca -0.23 -1.48 -0.15 0.00 -0.41 0.00 0.00 54.97 52.70 2jsx s GLU 80 Cb 0.03 -3.98 -0.16 0.00 -1.78 0.00 0.00 34.13 28.24 2jsx s GLU 80 CO 0.68 -1.05 1.28 0.93 -0.49 0.00 0.00 175.26 176.61 2jsx h GLU 81 N 8.59 0.69 0.00 1.61 4.39 -2.02 -3.49 114.58 124.35 2jsx h GLU 81 Ca -0.25 -0.55 0.30 0.00 0.34 0.00 0.00 59.36 59.19 2jsx h GLU 81 Cb 1.09 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 2jsx h GLU 81 CO 0.84 1.17 -0.40 1.04 -1.16 0.00 0.00 179.01 180.50 2jsx n GLN 82 N -4.07 -2.23 0.00 2.33 6.02 -1.26 -5.04 117.38 113.13 2jsx n GLN 82 Ca -0.07 1.47 0.00 0.00 -0.01 0.00 0.00 57.00 58.38 2jsx n GLN 82 Cb 0.68 -2.72 0.00 0.00 1.02 0.00 0.00 30.24 29.22 2jsx n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jsx n GLY 83 N -3.37 4.76 0.01 1.08 0.00 -1.26 -5.00 105.19 101.42 2jsx n GLY 83 Ca 0.01 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.46 2jsx n GLY 83 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jsx n GLU 84 N 0.00 0.64 -2.22 1.61 0.00 -1.26 -5.05 120.64 114.36 2jsx n GLU 84 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 57.16 57.00 2jsx n GLU 84 Cb 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 31.44 30.00 2jsx n GLU 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jsx n GLU 85 N -2.04 -2.51 -4.09 3.44 4.71 -1.26 -5.02 120.64 113.87 2jsx n GLU 85 Ca -0.02 2.13 -0.35 0.00 -0.01 0.00 0.00 57.16 58.91 2jsx n GLU 85 Cb 0.45 -3.65 -0.12 0.00 -1.01 0.00 0.00 31.44 27.12 2jsx n GLU 85 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 2jsx s THR 86 N -0.74 4.13 0.13 2.62 -1.32 -1.26 -5.10 115.64 114.11 2jsx s THR 86 Ca -0.09 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 2jsx s THR 86 Cb 0.01 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 2jsx s THR 86 CO 0.49 0.43 0.18 -0.81 -2.21 0.00 0.00 174.62 172.71 2jsx n PRO 87 N 4.07 0.54 -4.29 7.08 -0.04 -1.26 -5.12 135.00 135.98 2jsx n PRO 87 Ca -0.17 -0.51 -0.23 0.00 -0.04 0.00 0.00 63.50 62.55 2jsx n PRO 87 Cb 0.52 -0.11 -0.07 0.00 -0.04 0.00 0.00 33.50 33.79 2jsx n PRO 87 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2jsx s ARG 88 N -2.83 2.25 -0.11 0.54 1.70 -1.26 -5.13 118.95 114.10 2jsx s ARG 88 Ca 0.12 -1.47 -0.13 0.00 -0.47 0.00 0.00 55.73 53.77 2jsx s ARG 88 Cb -0.01 -2.12 0.03 0.00 -0.57 0.00 0.00 34.95 32.29 2jsx s ARG 88 CO 0.08 0.33 0.36 -1.12 -1.08 0.00 0.00 175.30 173.87 2jsx s SER 89 N -3.68 -0.35 0.01 -2.89 0.01 -1.26 -5.13 113.70 100.41 2jsx s SER 89 Ca 0.32 0.62 -0.29 0.00 1.31 0.00 0.00 55.95 57.91 2jsx s SER 89 Cb -0.06 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.80 2jsx s SER 89 CO 0.20 -0.20 0.92 -1.00 0.41 0.00 0.00 173.24 173.57 2jsx s HIS 90 N -0.12 3.68 0.04 2.43 3.76 -1.26 -4.92 115.29 118.90 2jsx s HIS 90 Ca -0.03 1.64 -0.12 0.00 -0.15 0.00 0.00 55.06 56.40 2jsx s HIS 90 Cb -0.03 -3.05 -0.33 0.00 1.11 0.00 0.00 32.58 30.28 2jsx s HIS 90 CO 0.01 0.06 1.05 0.45 -0.85 0.00 0.00 174.74 175.46 2jsx h HIS 91 N 6.52 0.85 -3.33 1.40 3.86 -2.07 -3.43 115.15 118.95 2jsx h HIS 91 Ca -0.41 -0.62 -0.54 0.00 -1.16 0.00 0.00 60.37 57.64 2jsx h HIS 91 Cb 1.21 -0.04 -0.34 0.00 1.06 0.00 0.00 27.41 29.31 2jsx h HIS 91 CO 0.67 1.48 -0.82 -1.01 0.86 0.00 0.00 177.93 179.11 2jsx s HIS 92 N -2.63 1.60 0.31 2.45 3.76 -1.26 -5.12 115.29 114.39 2jsx s HIS 92 Ca -0.07 -0.67 -0.23 0.00 -0.15 0.00 0.00 55.06 53.93 2jsx s HIS 92 Cb 0.05 -1.19 -0.09 0.00 1.11 0.00 0.00 32.58 32.45 2jsx s HIS 92 CO 0.93 -0.37 0.86 -1.01 -0.85 0.00 0.00 174.74 174.30 2jsx s HIS 93 N 0.95 3.60 0.75 1.40 0.09 -1.26 -5.06 115.29 115.76 2jsx s HIS 93 Ca -0.09 1.60 -0.06 0.00 -0.00 0.00 0.00 55.06 56.51 2jsx s HIS 93 Cb -0.15 -2.79 0.11 0.00 -0.00 0.00 0.00 32.58 29.75 2jsx s HIS 93 CO 0.00 0.19 1.05 -1.01 -0.00 0.00 0.00 174.74 174.97 2jsx s HIS 94 N -1.70 2.16 0.00 1.40 3.76 -1.26 -5.23 115.29 114.42 2jsx s HIS 94 Ca 0.50 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 2jsx s HIS 94 Cb -0.16 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.25 2jsx s HIS 94 CO 0.21 -1.73 0.00 0.72 -0.85 0.00 0.00 174.74 173.09