#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 0.74 -0.06 2.03 5.04 -1.26 -4.98 115.29 116.79 2jsx s HIS 2 Ca 0.00 -1.50 -0.05 0.00 -1.54 0.00 0.00 55.06 51.98 2jsx s HIS 2 Cb 0.00 -1.00 -0.02 0.00 0.04 0.00 0.00 32.58 31.60 2jsx s HIS 2 CO 0.00 -0.83 -0.09 2.41 -2.34 0.00 0.00 174.74 173.89 2jsx n THR 3 N 4.33 0.57 -3.64 0.89 -1.04 -1.26 -5.03 114.28 109.11 2jsx n THR 3 Ca 0.07 0.38 -0.09 0.00 -2.04 0.00 0.00 64.05 62.37 2jsx n THR 3 Cb 0.38 -1.85 -0.07 0.00 -1.82 0.00 0.00 70.33 66.97 2jsx n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2jsx s ASN 4 N -4.49 -0.82 0.28 8.00 3.84 -1.26 -5.17 114.94 115.32 2jsx s ASN 4 Ca -0.07 1.39 0.11 0.00 0.21 0.00 0.00 52.86 54.50 2jsx s ASN 4 Cb 0.01 1.37 -0.05 0.00 -0.55 0.00 0.00 41.25 42.03 2jsx s ASN 4 CO 0.11 -0.23 -0.12 -1.66 -2.79 0.00 0.00 177.10 172.41 2jsx s TRP 5 N 1.13 2.46 -0.07 0.43 1.48 -1.26 -4.69 118.94 118.42 2jsx s TRP 5 Ca -0.06 -0.29 0.03 0.00 -1.06 0.00 0.00 56.10 54.72 2jsx s TRP 5 Cb -0.05 -1.09 -0.02 0.00 -1.16 0.00 0.00 33.47 31.15 2jsx s TRP 5 CO -0.12 0.67 -0.15 1.14 -4.06 0.00 0.00 176.95 174.43 2jsx s GLN 6 N -3.58 2.68 0.03 3.25 -2.07 0.05 -4.94 119.66 115.08 2jsx s GLN 6 Ca 0.31 -0.71 0.03 0.00 -1.82 0.00 0.00 55.36 53.16 2jsx s GLN 6 Cb -0.05 -2.41 -0.04 0.00 -1.09 0.00 0.00 33.01 29.42 2jsx s GLN 6 CO 0.17 0.52 -0.00 0.14 -1.32 0.00 0.00 175.29 174.80 2jsx s VAL 7 N -0.47 4.08 -0.01 3.63 -7.23 -1.26 -1.98 120.40 117.15 2jsx s VAL 7 Ca 0.06 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 2jsx s VAL 7 Cb -0.12 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2jsx s VAL 7 CO 0.02 0.30 -0.03 0.00 -0.31 0.00 0.00 175.10 175.08 2jsx s SER 9 N 0.10 6.23 -0.12 0.00 0.15 -0.97 -0.58 113.70 118.50 2jsx s SER 9 Ca -0.01 0.38 0.03 0.00 0.70 0.00 0.00 55.95 57.05 2jsx s SER 9 Cb -0.03 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2jsx s SER 9 CO -0.00 0.35 -0.23 -0.76 1.20 0.00 0.00 173.24 173.80 2jsx s LEU 10 N -0.68 2.12 -0.55 3.45 1.43 0.85 -0.20 118.68 125.10 2jsx s LEU 10 Ca 0.13 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 2jsx s LEU 10 Cb -0.12 -1.43 0.09 0.00 0.03 0.00 0.00 46.19 44.76 2jsx s LEU 10 CO 0.03 0.12 0.63 -0.69 0.23 0.00 0.00 176.35 176.67 2jsx s VAL 11 N 0.59 4.91 -0.41 -1.59 1.01 -0.20 -0.59 120.40 124.11 2jsx s VAL 11 Ca -0.13 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2jsx s VAL 11 Cb -0.17 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.85 2jsx s VAL 11 CO 0.03 -0.95 0.51 -0.69 0.00 0.00 0.00 175.10 174.00 2jsx s VAL 12 N 2.47 5.00 -0.30 2.92 1.01 0.61 -0.73 120.40 131.38 2jsx s VAL 12 Ca 0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 2jsx s VAL 12 Cb -0.23 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 2jsx s VAL 12 CO 0.08 -0.42 0.77 -1.58 0.00 0.00 0.00 175.10 173.95 2jsx s GLN 13 N 2.39 3.98 0.24 2.72 0.74 0.93 -0.23 119.66 130.43 2jsx s GLN 13 Ca 0.17 0.59 0.01 0.00 0.05 0.00 0.00 55.36 56.17 2jsx s GLN 13 Cb -0.16 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.20 2jsx s GLN 13 CO 0.15 -0.65 0.17 0.00 -0.55 0.00 0.00 175.29 174.41 2jsx s ALA 14 N 2.91 1.34 -0.08 1.58 0.00 0.90 -0.72 121.76 127.69 2jsx s ALA 14 Ca 0.32 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.19 2jsx s ALA 14 Cb -0.14 1.41 -0.04 0.00 0.00 0.00 0.00 23.12 24.35 2jsx s ALA 14 CO 0.12 -0.61 1.46 0.15 0.00 0.00 0.00 175.76 176.88 2jsx s LYS 15 N -3.96 4.22 0.20 0.00 3.01 -1.18 -4.62 119.74 117.41 2jsx s LYS 15 Ca 0.39 1.96 -0.11 0.00 -1.01 0.00 0.00 55.97 57.20 2jsx s LYS 15 Cb 0.06 -3.81 0.16 0.00 -1.01 0.00 0.00 37.83 33.22 2jsx s LYS 15 CO 0.16 -0.74 1.85 1.03 0.51 0.00 0.00 175.35 178.17 2jsx h SER 16 N 8.69 0.73 0.72 2.83 0.87 -1.86 -0.66 113.55 124.86 2jsx h SER 16 Ca -0.35 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2jsx h SER 16 Cb 1.15 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2jsx h SER 16 CO 0.95 0.51 0.00 1.05 -0.53 0.00 0.00 176.83 178.81 2jsx h GLU 17 N 0.86 0.00 -0.12 2.24 4.11 -1.91 -1.93 114.58 117.83 2jsx h GLU 17 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2jsx h GLU 17 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2jsx h GLU 17 CO -0.09 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 176.86 2jsx n ARG 18 N -2.55 1.39 -0.34 1.06 0.63 -0.54 -4.67 116.66 111.63 2jsx n ARG 18 Ca 0.01 -1.53 0.09 0.00 -0.92 0.00 0.00 57.85 55.51 2jsx n ARG 18 Cb 0.23 -1.27 0.28 0.00 0.45 0.00 0.00 32.46 32.15 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 2.58 0.86 -0.40 5.15 2.04 -0.33 0.08 117.51 127.49 2jsx h ILE 19 Ca 0.00 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 2jsx h ILE 19 Cb 0.62 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2jsx h ILE 19 CO 0.00 0.16 -0.12 0.28 0.00 0.00 0.00 178.15 178.48 2jsx h SER 20 N 0.90 0.70 -0.13 1.72 0.02 -1.83 0.27 113.55 115.20 2jsx h SER 20 Ca 0.51 -0.21 -0.22 0.00 -0.84 0.00 0.00 61.79 61.03 2jsx h SER 20 Cb 0.62 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.98 2jsx h SER 20 CO -0.28 0.84 -0.78 0.44 -1.14 0.00 0.00 176.83 175.91 2jsx h ASP 21 N 0.65 0.92 -0.08 3.07 5.19 -1.57 -2.71 116.42 121.88 2jsx h ASP 21 Ca 0.11 -0.64 -0.02 0.00 -0.62 0.00 0.00 57.03 55.86 2jsx h ASP 21 Cb 0.57 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 2jsx h ASP 21 CO 0.04 1.42 -0.02 0.40 -3.12 0.00 0.00 179.24 177.95 2jsx h ILE 22 N 0.49 1.30 -0.63 0.35 2.04 -0.66 -1.85 117.51 118.55 2jsx h ILE 22 Ca -0.06 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 2jsx h ILE 22 Cb 1.42 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 2jsx h ILE 22 CO 0.16 0.27 0.30 0.77 0.00 0.00 0.00 178.15 179.65 2jsx h SER 23 N -0.19 0.80 0.42 1.72 4.64 -0.52 0.19 113.55 120.61 2jsx h SER 23 Ca 0.02 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 2jsx h SER 23 Cb 0.44 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2jsx h SER 23 CO 0.01 0.68 -0.63 0.74 -0.87 0.00 0.00 176.83 176.76 2jsx h THR 24 N 0.89 1.41 -0.21 2.95 2.02 -1.45 0.56 112.91 119.07 2jsx h THR 24 Ca 0.22 -2.06 -0.18 0.00 0.77 0.00 0.00 66.41 65.16 2jsx h THR 24 Cb 0.09 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2jsx h THR 24 CO -0.03 0.61 -0.56 -0.61 0.37 0.00 0.00 175.52 175.30 2jsx h GLN 25 N 0.15 0.74 -0.66 6.66 4.15 -0.41 -2.61 115.11 123.13 2jsx h GLN 25 Ca -0.01 -0.52 -0.06 0.00 0.77 0.00 0.00 58.65 58.83 2jsx h GLN 25 Cb 1.15 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 2jsx h GLN 25 CO 0.10 1.14 0.19 -0.07 -1.93 0.00 0.00 178.83 178.26 2jsx h LEU 26 N 0.47 0.99 -0.86 -2.39 3.38 -0.40 -2.23 115.31 114.26 2jsx h LEU 26 Ca -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2jsx h LEU 26 Cb 1.17 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2jsx h LEU 26 CO 0.12 0.95 0.00 -3.20 0.09 0.00 0.00 178.44 176.40 2jsx n ASN 27 N -4.31 0.67 0.16 -0.43 2.85 0.16 -3.01 115.26 111.35 2jsx n ASN 27 Ca 0.04 0.69 0.04 0.00 -0.11 0.00 0.00 54.58 55.24 2jsx n ASN 27 Cb 0.23 -0.82 0.17 0.00 1.24 0.00 0.00 39.78 40.60 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jsx h ALA 28 N 2.21 0.80 -2.62 5.20 0.00 -1.00 -3.45 119.26 120.40 2jsx h ALA 28 Ca 0.00 -0.41 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 2jsx h ALA 28 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2jsx h ALA 28 CO 0.00 0.57 0.31 -0.06 0.00 0.00 0.00 179.25 180.07 2jsx s PHE 29 N -3.23 3.83 -0.42 0.00 0.08 -1.16 -4.94 117.98 112.13 2jsx s PHE 29 Ca 0.02 1.76 -0.27 0.00 0.12 0.00 0.00 56.93 58.56 2jsx s PHE 29 Cb 0.09 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2jsx s PHE 29 CO 0.72 0.28 2.15 -2.14 -0.10 0.00 0.00 175.22 176.13 2jsx s PRO 30 N -0.27 2.65 0.00 0.24 0.02 -1.26 -1.14 135.00 135.24 2jsx s PRO 30 Ca 0.44 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.85 2jsx s PRO 30 Cb -0.23 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 29.86 2jsx s PRO 30 CO 0.29 -2.66 0.00 0.41 -0.33 0.00 0.00 177.00 174.71 2jsx n GLY 31 N 5.79 0.76 3.30 0.52 0.00 -1.26 -4.96 105.19 109.33 2jsx n GLY 31 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 1.45 0.68 -0.24 0.00 2.12 -0.43 -3.96 118.70 118.32 2jsx s GLU 33 Ca 0.03 -0.23 -0.29 0.00 0.36 0.00 0.00 54.97 54.84 2jsx s GLU 33 Cb -0.16 -0.66 0.01 0.00 0.26 0.00 0.00 34.13 33.58 2jsx s GLU 33 CO -0.01 0.10 1.02 0.08 -0.54 0.00 0.00 175.26 175.91 2jsx s VAL 34 N 0.09 4.67 -0.01 3.70 1.01 -1.26 0.25 120.40 128.85 2jsx s VAL 34 Ca -0.01 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 2jsx s VAL 34 Cb -0.06 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 2jsx s VAL 34 CO -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 175.10 174.87 2jsx h ALA 35 N 7.56 0.00 -3.03 5.51 0.00 -0.87 -3.47 119.26 124.97 2jsx h ALA 35 Ca -0.20 -0.25 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 2jsx h ALA 35 Cb 1.06 0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.63 2jsx h ALA 35 CO 0.98 0.04 -0.65 0.08 0.00 0.00 0.00 179.25 179.69 2jsx s VAL 36 N -1.10 3.79 -0.17 0.00 1.01 -1.08 -4.98 120.40 117.88 2jsx s VAL 36 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2jsx s VAL 36 Cb 0.00 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2jsx s VAL 36 CO 0.02 0.20 0.14 -0.94 0.00 0.00 0.00 175.10 174.52 2jsx s SER 37 N 1.50 6.29 -0.48 3.32 1.04 -1.26 -0.11 113.70 123.99 2jsx s SER 37 Ca 0.04 0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.83 2jsx s SER 37 Cb -0.16 -2.09 0.14 0.00 0.10 0.00 0.00 66.02 64.00 2jsx s SER 37 CO 0.01 0.26 0.26 -0.62 0.98 0.00 0.00 173.24 174.12 2jsx s ASP 38 N -0.12 3.89 0.17 7.02 -1.08 0.32 -4.98 116.67 121.89 2jsx s ASP 38 Ca 0.11 -2.82 -0.14 0.00 -0.52 0.00 0.00 52.55 49.18 2jsx s ASP 38 Cb -0.11 -1.26 0.05 0.00 -1.46 0.00 0.00 42.92 40.14 2jsx s ASP 38 CO 0.00 -0.25 1.81 0.00 0.52 0.00 0.00 175.17 177.26 2jsx h ALA 39 N 6.58 0.64 -0.78 3.66 0.00 -1.95 -0.33 119.26 127.08 2jsx h ALA 39 Ca -0.02 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.00 2jsx h ALA 39 Cb 0.91 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 2jsx h ALA 39 CO 0.56 0.12 0.26 -1.00 0.00 0.00 0.00 179.25 179.19 2jsx h PRO 40 N 0.68 0.33 0.00 0.00 0.13 -1.95 -2.66 132.00 128.53 2jsx h PRO 40 Ca 0.18 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.98 2jsx h PRO 40 Cb -0.03 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 30.97 2jsx h PRO 40 CO -0.04 0.22 -1.95 0.45 -0.23 0.00 0.00 178.00 176.45 2jsx n SER 41 N -5.09 0.55 0.00 1.44 2.88 -1.23 -4.98 113.62 107.19 2jsx n SER 41 Ca 0.16 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2jsx n SER 41 Cb 0.50 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 2jsx n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jsx n GLY 42 N 1.62 1.48 3.38 0.46 0.00 -0.27 -4.89 105.19 106.97 2jsx n GLY 42 Ca -0.22 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.58 3.10 -0.13 1.61 -0.21 -0.43 -0.07 119.66 122.96 2jsx s GLN 43 Ca 0.00 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.69 2jsx s GLN 43 Cb 0.00 -2.51 0.01 0.00 1.00 0.00 0.00 33.01 31.51 2jsx s GLN 43 CO 0.00 0.32 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.76 2jsx s LEU 44 N 0.06 2.05 -0.29 2.90 1.43 0.68 -0.52 118.68 125.00 2jsx s LEU 44 Ca -0.06 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.28 2jsx s LEU 44 Cb -0.15 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 2jsx s LEU 44 CO 0.05 0.09 0.56 -0.63 0.23 0.00 0.00 176.35 176.65 2jsx s ILE 45 N 0.72 5.01 -0.09 -0.59 -1.09 0.84 -0.28 121.20 125.72 2jsx s ILE 45 Ca -0.10 0.81 0.01 0.00 -2.23 0.00 0.00 60.65 59.14 2jsx s ILE 45 Cb -0.16 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2jsx s ILE 45 CO 0.01 -0.03 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.90 2jsx s VAL 46 N 2.43 3.46 -0.29 2.92 1.01 0.24 -0.13 120.40 130.04 2jsx s VAL 46 Ca 0.22 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2jsx s VAL 46 Cb -0.15 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.81 2jsx s VAL 46 CO 0.11 0.57 0.06 0.54 0.00 0.00 0.00 175.10 176.37 2jsx s VAL 47 N -0.38 3.75 -0.19 2.92 0.11 0.14 -0.10 120.40 126.64 2jsx s VAL 47 Ca 0.05 -0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 2jsx s VAL 47 Cb -0.12 -2.94 -0.02 0.00 -1.53 0.00 0.00 36.38 31.76 2jsx s VAL 47 CO 0.02 0.08 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.17 2jsx s VAL 48 N 1.46 3.79 -0.09 2.04 1.01 0.25 -1.31 120.40 127.55 2jsx s VAL 48 Ca 0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2jsx s VAL 48 Cb -0.17 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.53 2jsx s VAL 48 CO 0.01 0.44 -0.07 -1.83 0.00 0.00 0.00 175.10 173.66 2jsx s GLU 49 N 0.92 1.32 0.13 2.72 -1.05 -0.11 -0.33 118.70 122.30 2jsx s GLU 49 Ca 0.00 -0.20 -0.16 0.00 -0.15 0.00 0.00 54.97 54.46 2jsx s GLU 49 Cb -0.14 -1.37 0.04 0.00 -0.44 0.00 0.00 34.13 32.21 2jsx s GLU 49 CO 0.01 -0.21 0.41 0.00 0.95 0.00 0.00 175.26 176.42 2jsx s ALA 50 N 1.50 -0.94 -0.02 -0.84 0.00 -0.84 -4.64 121.76 115.97 2jsx s ALA 50 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2jsx s ALA 50 Cb -0.13 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 2jsx s ALA 50 CO -0.05 -0.65 0.14 1.49 0.00 0.00 0.00 175.76 176.69 2jsx h GLU 51 N 2.36 -0.05 -6.77 0.00 4.81 -1.84 0.19 114.58 113.29 2jsx h GLU 51 Ca -0.34 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.39 2jsx h GLU 51 Cb 1.26 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.65 2jsx h GLU 51 CO 0.47 -0.03 0.44 0.34 -0.73 0.00 0.00 179.01 179.50 2jsx s ASP 52 N -3.63 7.37 0.27 1.04 -1.08 -1.26 -4.28 116.67 115.09 2jsx s ASP 52 Ca -0.01 2.15 -0.03 0.00 -0.52 0.00 0.00 52.55 54.15 2jsx s ASP 52 Cb 0.00 -2.62 0.39 0.00 -1.46 0.00 0.00 42.92 39.23 2jsx s ASP 52 CO 0.02 -0.08 1.89 0.28 0.52 0.00 0.00 175.17 177.81 2jsx h SER 53 N 4.13 1.06 -0.15 -0.34 0.02 -1.99 -0.09 113.55 116.19 2jsx h SER 53 Ca -0.46 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 2jsx h SER 53 Cb 1.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2jsx h SER 53 CO 0.68 0.69 -0.38 -0.08 -1.14 0.00 0.00 176.83 176.60 2jsx h GLU 54 N 1.21 0.67 -0.56 3.45 4.57 -1.98 0.32 114.58 122.25 2jsx h GLU 54 Ca 0.42 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 2jsx h GLU 54 Cb 0.11 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2jsx h GLU 54 CO -0.16 0.94 0.14 1.15 -1.18 0.00 0.00 179.01 179.91 2jsx h THR 55 N 0.56 1.25 0.06 0.32 2.02 -1.82 -1.22 112.91 114.07 2jsx h THR 55 Ca 0.05 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 2jsx h THR 55 Cb 0.90 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2jsx h THR 55 CO 0.08 0.32 -0.03 0.25 0.37 0.00 0.00 175.52 176.51 2jsx h LEU 56 N 0.80 -0.07 -0.30 2.58 5.85 -0.29 -2.49 115.31 121.40 2jsx h LEU 56 Ca 0.18 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2jsx h LEU 56 Cb 0.33 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2jsx h LEU 56 CO 0.00 0.11 -0.00 0.40 -0.34 0.00 0.00 178.44 178.61 2jsx h ILE 57 N -0.24 0.78 -0.24 4.05 2.04 -0.25 -0.60 117.51 123.04 2jsx h ILE 57 Ca -0.01 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2jsx h ILE 57 Cb 0.21 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2jsx h ILE 57 CO 0.01 0.02 -0.02 1.56 0.00 0.00 0.00 178.15 179.71 2jsx h GLN 58 N 0.09 0.37 -0.23 2.37 4.20 -1.20 0.30 115.11 121.00 2jsx h GLN 58 Ca 0.15 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 2jsx h GLN 58 Cb 0.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2jsx h GLN 58 CO -0.25 0.42 -0.50 1.15 -0.67 0.00 0.00 178.83 178.98 2jsx h THR 59 N 0.36 1.30 -0.42 -0.54 2.02 -0.87 -0.17 112.91 114.59 2jsx h THR 59 Ca 0.08 -1.72 -0.12 0.00 0.77 0.00 0.00 66.41 65.43 2jsx h THR 59 Cb 0.28 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2jsx h THR 59 CO 0.01 0.54 -0.21 0.40 0.37 0.00 0.00 175.52 176.64 2jsx h ILE 60 N 0.51 1.27 -0.33 3.11 2.04 -0.01 -2.00 117.51 122.09 2jsx h ILE 60 Ca 0.02 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.46 2jsx h ILE 60 Cb 1.05 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2jsx h ILE 60 CO 0.10 0.45 -0.18 -0.08 0.00 0.00 0.00 178.15 178.44 2jsx h GLU 61 N 0.73 0.61 -0.74 2.37 4.81 -0.24 -2.02 114.58 120.11 2jsx h GLU 61 Ca 0.10 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2jsx h GLU 61 Cb 0.73 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2jsx h GLU 61 CO 0.06 0.76 0.47 0.77 -0.73 0.00 0.00 179.01 180.34 2jsx h SER 62 N 0.55 0.78 -0.80 1.04 0.02 -0.66 -0.98 113.55 113.50 2jsx h SER 62 Ca 0.09 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2jsx h SER 62 Cb 0.62 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 2jsx h SER 62 CO 0.04 0.54 0.53 0.58 -1.14 0.00 0.00 176.83 177.38 2jsx h VAL 63 N 0.92 1.14 0.00 2.27 2.07 -0.79 -0.59 116.25 121.26 2jsx h VAL 63 Ca 0.29 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2jsx h VAL 63 Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2jsx h VAL 63 CO -0.10 0.18 0.00 0.54 0.02 0.00 0.00 177.57 178.21 2jsx n ARG 64 N -4.44 0.10 0.00 1.57 1.74 -0.45 -1.98 116.66 113.18 2jsx n ARG 64 Ca 0.10 0.19 0.14 0.00 -0.77 0.00 0.00 57.85 57.51 2jsx n ARG 64 Cb 0.10 -1.64 0.47 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.81 1.63 -4.66 0.55 3.02 -0.24 -4.81 115.26 108.94 2jsx n ASN 65 Ca 0.05 -1.51 -0.43 0.00 -0.03 0.00 0.00 54.58 52.66 2jsx n ASN 65 Cb 0.30 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 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 -2.04 4.65 0.43 2.41 1.01 -0.84 -4.92 120.40 121.10 2jsx s VAL 66 Ca 0.36 1.99 0.33 0.00 0.00 0.00 0.00 61.98 64.66 2jsx s VAL 66 Cb 0.21 -4.28 0.51 0.00 0.00 0.00 0.00 36.38 32.81 2jsx s VAL 66 CO 0.35 -0.16 1.47 -1.84 0.00 0.00 0.00 175.10 174.92 2jsx n GLU 67 N 6.24 -0.03 -0.44 2.72 0.28 -1.26 -1.37 120.64 126.78 2jsx n GLU 67 Ca 0.12 1.16 0.10 0.00 -0.16 0.00 0.00 57.16 58.38 2jsx n GLU 67 Cb 0.46 -2.34 0.31 0.00 1.43 0.00 0.00 31.44 31.30 2jsx n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jsx n GLY 68 N -1.55 2.70 3.66 -1.84 0.00 -1.26 -4.90 105.19 102.01 2jsx n GLY 68 Ca 0.39 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.39 4.88 -0.16 1.61 1.01 -0.47 -3.13 120.40 122.75 2jsx s VAL 69 Ca 0.46 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.90 2jsx s VAL 69 Cb 0.27 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2jsx s VAL 69 CO 0.27 0.00 -0.11 0.18 0.00 0.00 0.00 175.10 175.44 2jsx n LEU 70 N 5.46 1.83 -3.75 3.92 4.77 0.10 -4.95 117.00 124.38 2jsx n LEU 70 Ca 0.04 0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 56.46 2jsx n LEU 70 Cb 0.48 -0.89 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 2jsx n LEU 70 CO 0.48 -0.29 -0.27 0.00 -1.33 0.00 0.00 177.39 175.98 2jsx s ALA 71 N -2.66 -0.14 -0.23 -1.18 0.00 -1.15 -5.02 121.76 111.38 2jsx s ALA 71 Ca -0.19 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.34 2jsx s ALA 71 Cb 0.03 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.80 2jsx s ALA 71 CO 0.31 -0.16 -0.11 0.54 0.00 0.00 0.00 175.76 176.34 2jsx s VAL 72 N 1.20 1.91 -0.04 0.00 0.11 -1.26 -0.05 120.40 122.28 2jsx s VAL 72 Ca -0.08 -1.35 -0.22 0.00 -2.93 0.00 0.00 61.98 57.40 2jsx s VAL 72 Cb -0.12 -2.02 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 2jsx s VAL 72 CO -0.05 0.06 0.63 -0.55 -3.33 0.00 0.00 175.10 171.86 2jsx s SER 73 N 1.24 6.96 -0.35 3.54 0.15 0.09 -4.89 113.70 120.45 2jsx s SER 73 Ca -0.05 1.15 -0.20 0.00 0.70 0.00 0.00 55.95 57.55 2jsx s SER 73 Cb -0.18 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2jsx s SER 73 CO -0.07 0.00 0.60 -0.22 1.20 0.00 0.00 173.24 174.76 2jsx s LEU 74 N 0.28 4.28 -0.85 3.45 0.20 -1.26 -1.04 118.68 123.74 2jsx s LEU 74 Ca 0.33 0.11 -0.14 0.00 0.69 0.00 0.00 54.13 55.12 2jsx s LEU 74 Cb -0.18 -2.73 0.22 0.00 -0.43 0.00 0.00 46.19 43.07 2jsx s LEU 74 CO 0.17 -0.56 0.82 -0.69 -0.29 0.00 0.00 176.35 175.80 2jsx s VAL 75 N 2.62 5.57 -0.17 1.68 1.01 0.72 -4.93 120.40 126.90 2jsx s VAL 75 Ca 0.23 -2.46 -0.14 0.00 0.00 0.00 0.00 61.98 59.61 2jsx s VAL 75 Cb -0.15 -4.50 0.05 0.00 0.00 0.00 0.00 36.38 31.78 2jsx s VAL 75 CO 0.14 -1.08 0.43 -0.47 0.00 0.00 0.00 175.10 174.13 2jsx s TYR 76 N 0.28 -0.51 -0.03 5.22 5.04 -1.26 -2.29 117.35 123.79 2jsx s TYR 76 Ca 0.20 1.20 -0.20 0.00 -2.44 0.00 0.00 57.07 55.83 2jsx s TYR 76 Cb -0.10 0.19 -0.05 0.00 0.35 0.00 0.00 41.96 42.36 2jsx s TYR 76 CO -0.09 -0.26 0.58 -1.01 -1.34 0.00 0.00 175.55 173.43 2jsx s HIS 77 N 0.52 3.65 0.61 4.97 3.76 -1.26 -5.05 115.29 122.48 2jsx s HIS 77 Ca -0.02 1.15 -0.12 0.00 -0.15 0.00 0.00 55.06 55.91 2jsx s HIS 77 Cb -0.04 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 2jsx s HIS 77 CO -0.03 0.31 1.03 1.14 -0.85 0.00 0.00 174.74 176.34 2jsx s GLN 78 N -0.02 3.60 0.11 1.40 -2.07 -1.26 -4.99 119.66 116.44 2jsx s GLN 78 Ca 0.30 0.81 0.04 0.00 -1.82 0.00 0.00 55.36 54.69 2jsx s GLN 78 Cb -0.18 -2.08 -0.21 0.00 -1.09 0.00 0.00 33.01 29.45 2jsx s GLN 78 CO 0.16 -0.57 1.25 0.37 -1.32 0.00 0.00 175.29 175.19 2jsx h GLN 79 N -0.13 0.08 -5.88 9.60 5.75 -2.06 -3.38 115.11 119.09 2jsx h GLN 79 Ca -0.44 -0.14 -0.53 0.00 -0.15 0.00 0.00 58.65 57.39 2jsx h GLN 79 Cb 1.19 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.71 2jsx h GLN 79 CO 0.61 1.05 1.51 -1.21 -2.65 0.00 0.00 178.83 178.14 2jsx s GLU 80 N -2.74 3.37 0.19 1.69 8.01 -1.26 -4.79 118.70 123.17 2jsx s GLU 80 Ca -0.01 -1.23 -0.10 0.00 0.01 0.00 0.00 54.97 53.64 2jsx s GLU 80 Cb 0.09 -5.34 0.12 0.00 -4.31 0.00 0.00 34.13 24.69 2jsx s GLU 80 CO 0.84 -2.68 1.77 1.05 0.01 0.00 0.00 175.26 176.25 2jsx h GLU 81 N 9.42 1.00 0.12 1.61 4.11 -2.01 -3.08 114.58 125.75 2jsx h GLU 81 Ca 0.26 -0.16 -0.35 0.00 0.07 0.00 0.00 59.36 59.18 2jsx h GLU 81 Cb 0.96 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2jsx h GLU 81 CO 1.37 0.81 -1.84 1.96 0.07 0.00 0.00 179.01 181.38 2jsx h GLN 82 N 0.97 0.26 0.00 1.06 1.08 -1.96 -3.51 115.11 113.01 2jsx h GLN 82 Ca 0.23 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2jsx h GLN 82 Cb 0.15 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2jsx h GLN 82 CO -0.03 1.14 0.00 0.41 -0.95 0.00 0.00 178.83 179.40 2jsx n GLY 83 N 1.86 2.33 3.58 3.46 0.00 -1.17 -4.93 105.19 110.33 2jsx n GLY 83 Ca -0.26 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 2jsx n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jsx s GLU 84 N -3.31 3.76 0.03 1.61 2.12 -1.26 -4.86 118.70 116.79 2jsx s GLU 84 Ca 0.00 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.59 2jsx s GLU 84 Cb 0.00 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.60 2jsx s GLU 84 CO 0.00 -0.78 0.00 -1.91 -0.54 0.00 0.00 175.26 172.03 2jsx n GLU 85 N 6.24 0.00 -3.81 4.30 2.13 -1.26 -5.02 120.64 123.22 2jsx n GLU 85 Ca 0.01 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.54 2jsx n GLU 85 Cb 0.48 -0.08 -0.14 0.00 0.27 0.00 0.00 31.44 31.97 2jsx n GLU 85 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jsx s THR 86 N -1.21 1.55 -0.37 6.31 2.01 -1.26 -4.92 115.64 117.74 2jsx s THR 86 Ca 0.00 -2.25 0.07 0.00 0.31 0.00 0.00 61.69 59.81 2jsx s THR 86 Cb 0.00 -2.12 0.62 0.00 0.01 0.00 0.00 72.50 71.01 2jsx s THR 86 CO 0.00 -0.76 1.70 -0.81 -0.69 0.00 0.00 174.62 174.06 2jsx n PRO 87 N 4.03 2.92 -3.67 4.92 -0.04 -1.26 -4.96 135.00 136.94 2jsx n PRO 87 Ca 0.04 -2.60 -0.20 0.00 -0.04 0.00 0.00 63.50 60.70 2jsx n PRO 87 Cb 0.38 -2.06 -0.01 0.00 -0.04 0.00 0.00 33.50 31.77 2jsx n PRO 87 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jsx s ARG 88 N -2.68 3.17 -0.46 0.54 0.52 -1.26 -5.06 118.95 113.71 2jsx s ARG 88 Ca 0.48 -0.97 -0.21 0.00 -0.52 0.00 0.00 55.73 54.51 2jsx s ARG 88 Cb 0.39 -2.80 0.03 0.00 0.52 0.00 0.00 34.95 33.09 2jsx s ARG 88 CO 0.11 0.18 0.69 -1.12 0.02 0.00 0.00 175.30 175.18 2jsx s SER 89 N -4.09 6.32 0.00 0.23 0.01 -1.26 -4.78 113.70 110.12 2jsx s SER 89 Ca 0.41 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2jsx s SER 89 Cb -0.09 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2jsx s SER 89 CO 0.30 -0.86 0.00 0.00 0.41 0.00 0.00 173.24 173.09 2jsx n HIS 90 N 6.42 0.00 0.48 2.43 -0.00 -1.26 -4.74 115.22 118.56 2jsx n HIS 90 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.83 2jsx n HIS 90 Cb 0.47 0.00 0.39 0.00 -0.00 0.00 0.00 29.99 30.86 2jsx n HIS 90 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jsx h HIS 91 N 0.00 0.00 -3.10 -1.40 3.86 -2.03 -3.43 115.15 109.05 2jsx h HIS 91 Ca 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 2jsx h HIS 91 Cb 0.00 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.21 2jsx h HIS 91 CO 0.00 0.00 -0.42 -3.38 0.86 0.00 0.00 177.93 174.99 2jsx s HIS 92 N -3.20 -0.29 -0.03 2.45 0.00 -1.26 -5.03 115.29 107.93 2jsx s HIS 92 Ca 0.08 0.71 0.06 0.00 -3.00 0.00 0.00 55.06 52.91 2jsx s HIS 92 Cb 0.10 0.09 -0.09 0.00 -4.00 0.00 0.00 32.58 28.69 2jsx s HIS 92 CO 0.57 -0.15 0.08 1.58 -1.00 0.00 0.00 174.74 175.82 2jsx n HIS 93 N 3.09 0.00 -1.68 0.38 -0.00 -1.26 -4.85 115.22 110.89 2jsx n HIS 93 Ca -0.14 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.03 2jsx n HIS 93 Cb 0.58 -0.22 -0.01 0.00 -0.12 0.00 0.00 29.99 30.22 2jsx n HIS 93 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jsx n HIS 94 N -1.97 -1.96 -0.60 1.57 8.25 -1.26 -5.13 115.22 114.12 2jsx n HIS 94 Ca -0.05 1.16 0.00 0.00 -0.26 0.00 0.00 57.72 58.56 2jsx n HIS 94 Cb 0.43 -2.68 0.00 0.00 1.12 0.00 0.00 29.99 28.86 2jsx n HIS 94 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70