#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 2.71 0.00 2.03 0.09 -1.26 -4.72 115.29 114.14 2jsx s HIS 2 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 55.06 54.90 2jsx s HIS 2 Cb 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 32.58 31.12 2jsx s HIS 2 CO 0.00 0.38 0.00 2.41 -0.00 0.00 0.00 174.74 177.53 2jsx n THR 3 N 0.99 0.00 -2.37 1.30 -1.04 -1.26 -4.84 114.28 107.06 2jsx n THR 3 Ca -0.14 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.46 2jsx n THR 3 Cb 0.52 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 2jsx n THR 3 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2jsx s ASN 4 N 0.00 5.97 1.11 8.00 -0.87 -1.26 -4.98 114.94 122.91 2jsx s ASN 4 Ca 0.00 0.08 -0.13 0.00 -1.57 0.00 0.00 52.86 51.24 2jsx s ASN 4 Cb 0.00 -2.55 0.25 0.00 -0.02 0.00 0.00 41.25 38.94 2jsx s ASN 4 CO 0.00 -1.88 1.05 -1.66 -2.57 0.00 0.00 177.10 172.04 2jsx s TRP 5 N 6.54 1.58 0.03 2.20 1.48 -1.26 -4.73 118.94 124.77 2jsx s TRP 5 Ca 0.50 1.14 0.07 0.00 -1.06 0.00 0.00 56.10 56.76 2jsx s TRP 5 Cb -0.10 -3.15 -0.02 0.00 -1.16 0.00 0.00 33.47 29.03 2jsx s TRP 5 CO 0.21 -3.57 -0.22 1.14 -4.06 0.00 0.00 176.95 170.46 2jsx s GLN 6 N -4.61 1.53 0.14 3.25 -2.07 0.14 -4.92 119.66 113.12 2jsx s GLN 6 Ca 0.67 -0.91 0.04 0.00 -1.82 0.00 0.00 55.36 53.34 2jsx s GLN 6 Cb -0.23 -1.61 -0.04 0.00 -1.09 0.00 0.00 33.01 30.05 2jsx s GLN 6 CO 0.62 0.42 0.17 0.14 -1.32 0.00 0.00 175.29 175.32 2jsx s VAL 7 N -0.72 4.80 -0.02 3.63 -7.23 -1.26 -1.15 120.40 118.46 2jsx s VAL 7 Ca 0.08 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2jsx s VAL 7 Cb -0.09 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.45 2jsx s VAL 7 CO 0.01 -0.04 0.01 0.00 -0.31 0.00 0.00 175.10 174.78 2jsx s SER 9 N 0.79 6.49 -0.22 0.00 0.15 -1.26 -1.38 113.70 118.28 2jsx s SER 9 Ca -0.07 0.58 -0.04 0.00 0.70 0.00 0.00 55.95 57.12 2jsx s SER 9 Cb -0.10 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2jsx s SER 9 CO -0.02 0.06 -0.04 -0.76 1.20 0.00 0.00 173.24 173.68 2jsx s LEU 10 N 0.59 2.93 -0.59 3.45 1.43 0.81 -1.28 118.68 126.01 2jsx s LEU 10 Ca 0.19 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 2jsx s LEU 10 Cb -0.14 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.41 2jsx s LEU 10 CO 0.06 -0.02 0.83 -0.69 0.23 0.00 0.00 176.35 176.76 2jsx s VAL 11 N 1.46 4.56 -0.51 -1.59 1.01 0.37 -0.98 120.40 124.73 2jsx s VAL 11 Ca 0.06 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 2jsx s VAL 11 Cb -0.14 -4.54 0.09 0.00 0.00 0.00 0.00 36.38 31.79 2jsx s VAL 11 CO -0.03 -1.19 0.47 -0.69 0.00 0.00 0.00 175.10 173.66 2jsx s VAL 12 N 3.44 5.17 -0.45 2.92 1.01 -0.18 -0.79 120.40 131.51 2jsx s VAL 12 Ca 0.20 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 2jsx s VAL 12 Cb -0.18 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.00 2jsx s VAL 12 CO 0.11 -0.74 0.48 -1.58 0.00 0.00 0.00 175.10 173.37 2jsx s GLN 13 N 1.78 3.08 0.30 2.72 -0.44 -0.31 -0.36 119.66 126.44 2jsx s GLN 13 Ca 0.05 -0.89 0.03 0.00 -2.50 0.00 0.00 55.36 52.05 2jsx s GLN 13 Cb -0.26 -4.03 -0.04 0.00 -1.64 0.00 0.00 33.01 27.04 2jsx s GLN 13 CO 0.06 -0.98 0.12 0.00 0.50 0.00 0.00 175.29 174.99 2jsx s ALA 14 N 2.18 2.05 0.04 1.58 0.00 0.86 0.32 121.76 128.77 2jsx s ALA 14 Ca 0.11 -1.77 -0.34 0.00 0.00 0.00 0.00 51.96 49.96 2jsx s ALA 14 Cb -0.19 1.01 -0.13 0.00 0.00 0.00 0.00 23.12 23.81 2jsx s ALA 14 CO 0.12 -0.45 1.69 1.63 0.00 0.00 0.00 175.76 178.76 2jsx n LYS 15 N -0.59 2.06 -0.20 0.00 4.01 -0.99 -4.53 118.16 117.93 2jsx n LYS 15 Ca -0.01 0.75 -0.02 0.00 -0.51 0.00 0.00 58.31 58.53 2jsx n LYS 15 Cb 0.66 -2.54 0.20 0.00 -0.51 0.00 0.00 35.03 32.83 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 7.23 0.87 1.04 4.39 0.87 -1.88 -0.99 113.55 125.08 2jsx h SER 16 Ca -0.47 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2jsx h SER 16 Cb 1.27 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2jsx h SER 16 CO 0.91 0.73 -0.03 -1.84 -0.53 0.00 0.00 176.83 176.07 2jsx n GLU 17 N -4.34 0.04 -0.09 2.24 0.28 -1.26 -2.89 120.64 114.62 2jsx n GLU 17 Ca 0.06 0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.18 2jsx n GLU 17 Cb 0.13 -1.54 0.13 0.00 1.43 0.00 0.00 31.44 31.58 2jsx n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2jsx n ARG 18 N -1.61 1.84 -0.33 3.44 0.63 -0.44 -4.58 116.66 115.61 2jsx n ARG 18 Ca 0.07 -1.79 0.02 0.00 -0.92 0.00 0.00 57.85 55.23 2jsx n ARG 18 Cb 0.35 -1.35 0.16 0.00 0.45 0.00 0.00 32.46 32.07 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 3.20 1.04 -0.60 5.15 1.08 -1.24 -1.08 117.51 125.06 2jsx h ILE 19 Ca 0.00 -0.35 -0.05 0.00 -0.39 0.00 0.00 64.86 64.07 2jsx h ILE 19 Cb 0.75 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 2jsx h ILE 19 CO 0.00 0.19 0.18 -1.28 -0.69 0.00 0.00 178.15 176.54 2jsx h SER 20 N 1.03 0.89 0.05 1.72 0.87 -1.83 0.26 113.55 116.54 2jsx h SER 20 Ca 0.40 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2jsx h SER 20 Cb 0.19 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2jsx h SER 20 CO -0.18 0.87 -0.02 0.44 -0.53 0.00 0.00 176.83 177.41 2jsx h ASP 21 N 0.87 -0.06 -0.75 6.23 5.19 -1.78 -3.00 116.42 123.13 2jsx h ASP 21 Ca 0.19 -0.22 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2jsx h ASP 21 Cb 0.31 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 2jsx h ASP 21 CO -0.00 0.18 0.25 0.40 -3.12 0.00 0.00 179.24 176.95 2jsx h ILE 22 N -0.30 1.26 -0.55 0.35 2.04 -0.94 -2.30 117.51 117.06 2jsx h ILE 22 Ca -0.01 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 64.98 2jsx h ILE 22 Cb 0.27 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2jsx h ILE 22 CO 0.01 0.35 0.37 0.28 0.00 0.00 0.00 178.15 179.16 2jsx h SER 23 N 1.11 0.59 0.34 1.72 0.02 -0.45 0.23 113.55 117.11 2jsx h SER 23 Ca 0.24 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.92 2jsx h SER 23 Cb 0.29 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jsx h SER 23 CO -0.01 0.42 -1.12 0.74 -1.14 0.00 0.00 176.83 175.72 2jsx h THR 24 N 0.69 1.38 -0.28 -2.27 2.02 -1.34 -1.40 112.91 111.72 2jsx h THR 24 Ca 0.21 -2.60 -0.04 0.00 0.77 0.00 0.00 66.41 64.75 2jsx h THR 24 Cb 0.01 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2jsx h THR 24 CO -0.05 0.78 0.01 1.56 0.37 0.00 0.00 175.52 178.19 2jsx h GLN 25 N 0.21 0.48 -0.41 6.66 4.20 -0.80 -2.00 115.11 123.44 2jsx h GLN 25 Ca -0.13 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 2jsx h GLN 25 Cb 1.79 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.51 2jsx h GLN 25 CO 0.20 0.62 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.82 2jsx h LEU 26 N 0.27 0.70 -1.43 1.46 3.38 -0.52 -2.47 115.31 116.70 2jsx h LEU 26 Ca 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2jsx h LEU 26 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jsx h LEU 26 CO 0.01 0.82 -0.26 -1.13 0.09 0.00 0.00 178.44 177.97 2jsx h ASN 27 N 0.66 0.00 0.96 -0.43 -0.73 -1.10 -2.95 115.58 111.98 2jsx h ASN 27 Ca 0.12 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.29 2jsx h ASN 27 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.13 2jsx h ASN 27 CO 0.03 0.26 0.00 0.00 -0.37 0.00 0.00 177.43 177.35 2jsx n ALA 28 N -2.35 1.92 -1.81 1.57 0.00 -0.77 -4.78 120.51 114.29 2jsx n ALA 28 Ca -0.01 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2jsx n ALA 28 Cb 0.36 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.18 3.26 -0.08 0.00 0.08 -1.12 -4.97 117.98 111.98 2jsx s PHE 29 Ca 0.08 1.61 -0.29 0.00 0.12 0.00 0.00 56.93 58.44 2jsx s PHE 29 Cb 0.11 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.60 2jsx s PHE 29 CO 0.45 -0.26 1.85 -2.14 -0.10 0.00 0.00 175.22 175.03 2jsx s PRO 30 N -3.12 3.92 0.00 0.24 0.02 -1.26 -2.47 135.00 132.33 2jsx s PRO 30 Ca 0.62 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2jsx s PRO 30 Cb -0.11 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.28 2jsx s PRO 30 CO 0.15 -1.17 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 2jsx n GLY 31 N 4.65 0.74 3.40 0.52 0.00 -1.26 -4.85 105.19 108.38 2jsx n GLY 31 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 1.58 1.66 -0.45 0.00 2.12 -0.33 -4.21 118.70 119.07 2jsx s GLU 33 Ca 0.03 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 2jsx s GLU 33 Cb -0.19 -1.62 0.03 0.00 0.26 0.00 0.00 34.13 32.61 2jsx s GLU 33 CO 0.07 0.44 1.14 0.08 -0.54 0.00 0.00 175.26 176.45 2jsx s VAL 34 N -0.51 4.24 -0.15 3.70 1.01 -1.26 -0.28 120.40 127.15 2jsx s VAL 34 Ca 0.08 1.30 -0.10 0.00 0.00 0.00 0.00 61.98 63.25 2jsx s VAL 34 Cb -0.08 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.68 2jsx s VAL 34 CO -0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 175.10 174.12 2jsx h ALA 35 N 9.10 0.04 -3.08 5.51 0.00 -0.72 -3.46 119.26 126.65 2jsx h ALA 35 Ca -0.23 -0.54 -0.67 0.00 0.00 0.00 0.00 54.91 53.48 2jsx h ALA 35 Cb 1.06 0.45 -0.29 0.00 0.00 0.00 0.00 17.79 19.01 2jsx h ALA 35 CO 1.11 0.44 -0.71 0.08 0.00 0.00 0.00 179.25 180.17 2jsx s VAL 36 N -2.15 3.33 -0.24 0.00 1.01 -1.19 -4.98 120.40 116.19 2jsx s VAL 36 Ca -0.15 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2jsx s VAL 36 Cb 0.02 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 2jsx s VAL 36 CO 0.26 0.29 -0.01 -0.44 0.00 0.00 0.00 175.10 175.20 2jsx s SER 37 N 1.44 4.55 -0.52 3.32 0.01 -1.26 -0.24 113.70 121.00 2jsx s SER 37 Ca 0.04 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.81 2jsx s SER 37 Cb -0.15 -1.77 0.13 0.00 0.21 0.00 0.00 66.02 64.44 2jsx s SER 37 CO -0.03 -0.08 0.27 -0.62 0.41 0.00 0.00 173.24 173.19 2jsx s ASP 38 N 1.47 4.27 0.24 2.44 -1.08 0.50 -4.98 116.67 119.53 2jsx s ASP 38 Ca 0.04 -3.02 -0.07 0.00 -0.52 0.00 0.00 52.55 48.98 2jsx s ASP 38 Cb -0.15 -1.59 0.22 0.00 -1.46 0.00 0.00 42.92 39.94 2jsx s ASP 38 CO -0.02 -0.23 1.90 0.00 0.52 0.00 0.00 175.17 177.35 2jsx h ALA 39 N 6.47 1.17 -0.74 3.66 0.00 -1.94 0.57 119.26 128.45 2jsx h ALA 39 Ca -0.07 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2jsx h ALA 39 Cb 0.89 -0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 2jsx h ALA 39 CO 0.68 0.59 0.30 -1.00 0.00 0.00 0.00 179.25 179.81 2jsx h PRO 40 N 1.26 0.44 0.00 0.00 0.13 -1.94 -2.11 132.00 129.78 2jsx h PRO 40 Ca 0.34 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.29 2jsx h PRO 40 Cb -0.12 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 30.88 2jsx h PRO 40 CO -0.07 0.29 -1.36 0.77 -0.23 0.00 0.00 178.00 177.40 2jsx h SER 41 N 0.46 0.00 0.00 1.44 0.02 -1.97 -3.48 113.55 110.02 2jsx h SER 41 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2jsx h SER 41 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2jsx h SER 41 CO -0.38 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 2jsx n GLY 42 N 1.37 0.92 3.52 -3.77 0.00 0.02 -4.78 105.19 102.46 2jsx n GLY 42 Ca -0.09 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.73 3.74 -0.17 1.61 -0.21 -0.21 -0.10 119.66 122.60 2jsx s GLN 43 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.92 2jsx s GLN 43 Cb 0.00 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.93 2jsx s GLN 43 CO 0.00 0.15 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.65 2jsx s LEU 44 N 0.65 2.37 -0.29 2.90 1.43 0.51 -0.37 118.68 125.88 2jsx s LEU 44 Ca 0.00 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 2jsx s LEU 44 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2jsx s LEU 44 CO 0.02 0.05 0.55 -0.63 0.23 0.00 0.00 176.35 176.56 2jsx s ILE 45 N 1.04 5.02 -0.20 -0.59 -1.09 0.67 -1.01 121.20 125.04 2jsx s ILE 45 Ca -0.01 0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 59.15 2jsx s ILE 45 Cb -0.15 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2jsx s ILE 45 CO -0.05 -0.03 -0.03 -0.69 -1.23 0.00 0.00 174.94 172.92 2jsx s VAL 46 N 2.41 3.68 -0.28 2.92 1.01 -0.15 0.08 120.40 130.07 2jsx s VAL 46 Ca 0.22 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2jsx s VAL 46 Cb -0.15 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2jsx s VAL 46 CO 0.11 0.44 0.13 -0.69 0.00 0.00 0.00 175.10 175.08 2jsx s VAL 47 N 1.08 4.64 -0.10 2.92 1.01 0.61 -0.13 120.40 130.43 2jsx s VAL 47 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2jsx s VAL 47 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2jsx s VAL 47 CO 0.01 0.22 -0.16 -0.69 0.00 0.00 0.00 175.10 174.47 2jsx s VAL 48 N 1.65 2.78 -0.17 2.92 1.01 -0.48 -1.19 120.40 126.92 2jsx s VAL 48 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2jsx s VAL 48 Cb -0.16 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.11 2jsx s VAL 48 CO 0.06 0.55 -0.19 -1.83 0.00 0.00 0.00 175.10 173.70 2jsx s GLU 49 N 0.08 3.06 0.17 2.72 1.03 -0.98 -0.81 118.70 123.97 2jsx s GLU 49 Ca -0.07 -0.81 0.07 0.00 0.03 0.00 0.00 54.97 54.19 2jsx s GLU 49 Cb -0.15 -2.58 -0.04 0.00 -0.80 0.00 0.00 34.13 30.56 2jsx s GLU 49 CO 0.05 -0.12 -0.14 0.00 -1.33 0.00 0.00 175.26 173.72 2jsx s ALA 50 N 1.11 1.77 0.00 -0.84 0.00 -0.30 -4.76 121.76 118.74 2jsx s ALA 50 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2jsx s ALA 50 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2jsx s ALA 50 CO -0.07 0.06 0.55 0.39 0.00 0.00 0.00 175.76 176.69 2jsx n GLU 51 N -0.04 0.00 -3.54 0.00 -0.58 -1.26 -0.68 120.64 114.54 2jsx n GLU 51 Ca -0.11 0.29 -0.24 0.00 -0.42 0.00 0.00 57.16 56.68 2jsx n GLU 51 Cb 0.59 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 30.31 2jsx n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jsx s ASP 52 N -2.05 6.33 0.16 1.62 1.01 -1.26 -4.32 116.67 118.15 2jsx s ASP 52 Ca 0.00 0.39 -0.11 0.00 0.71 0.00 0.00 52.55 53.54 2jsx s ASP 52 Cb 0.00 -2.00 0.04 0.00 1.01 0.00 0.00 42.92 41.97 2jsx s ASP 52 CO 0.00 -0.20 1.63 0.28 0.21 0.00 0.00 175.17 177.08 2jsx h SER 53 N 1.12 0.94 0.39 0.27 0.02 -1.99 -0.34 113.55 113.96 2jsx h SER 53 Ca -0.50 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.02 2jsx h SER 53 Cb 1.21 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2jsx h SER 53 CO 0.63 1.01 -0.59 1.05 -1.14 0.00 0.00 176.83 177.79 2jsx h GLU 54 N 0.85 0.20 -0.70 3.45 4.11 -1.99 -0.62 114.58 119.89 2jsx h GLU 54 Ca 0.16 -0.14 -0.05 0.00 0.07 0.00 0.00 59.36 59.40 2jsx h GLU 54 Cb 0.51 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2jsx h GLU 54 CO 0.02 0.73 0.23 1.15 0.07 0.00 0.00 179.01 181.22 2jsx h THR 55 N 0.15 1.25 -0.17 -1.06 2.02 -1.89 -0.76 112.91 112.45 2jsx h THR 55 Ca -0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 2jsx h THR 55 Cb 1.08 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2jsx h THR 55 CO 0.09 0.33 0.09 0.25 0.37 0.00 0.00 175.52 176.66 2jsx h LEU 56 N 1.03 0.22 -0.31 2.58 5.85 -0.46 -2.08 115.31 122.14 2jsx h LEU 56 Ca 0.23 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2jsx h LEU 56 Cb 0.27 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2jsx h LEU 56 CO -0.01 0.25 0.04 0.40 -0.34 0.00 0.00 178.44 178.78 2jsx h ILE 57 N 0.17 0.83 -0.85 4.05 1.08 -0.64 0.11 117.51 122.26 2jsx h ILE 57 Ca 0.06 -0.05 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 2jsx h ILE 57 Cb 0.08 0.67 -0.07 0.00 -3.07 0.00 0.00 36.82 34.43 2jsx h ILE 57 CO -0.01 0.03 0.50 1.56 -0.69 0.00 0.00 178.15 179.54 2jsx h GLN 58 N 0.14 0.82 -0.13 2.37 1.08 -1.00 0.51 115.11 118.91 2jsx h GLN 58 Ca 0.14 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2jsx h GLN 58 Cb 0.17 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2jsx h GLN 58 CO -0.21 0.54 -0.00 1.15 -0.95 0.00 0.00 178.83 179.36 2jsx h THR 59 N 0.84 1.25 -0.93 -0.54 2.02 -0.64 -2.66 112.91 112.25 2jsx h THR 59 Ca 0.41 -0.82 0.06 0.00 0.77 0.00 0.00 66.41 66.83 2jsx h THR 59 Cb 0.36 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 2jsx h THR 59 CO -0.24 0.24 0.61 0.40 0.37 0.00 0.00 175.52 176.89 2jsx h ILE 60 N -0.05 1.09 -0.32 3.11 2.04 0.17 -0.43 117.51 123.12 2jsx h ILE 60 Ca 0.04 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2jsx h ILE 60 Cb 0.36 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2jsx h ILE 60 CO 0.01 0.20 0.17 -0.33 0.00 0.00 0.00 178.15 178.20 2jsx h GLU 61 N 1.09 0.45 -0.37 2.37 5.08 -0.82 -1.19 114.58 121.19 2jsx h GLU 61 Ca 0.40 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2jsx h GLU 61 Cb 0.16 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2jsx h GLU 61 CO -0.15 0.38 -0.04 1.03 -1.00 0.00 0.00 179.01 179.23 2jsx h SER 62 N 0.40 0.58 -0.84 1.42 0.87 -0.95 -1.82 113.55 113.21 2jsx h SER 62 Ca 0.11 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2jsx h SER 62 Cb 0.07 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 2jsx h SER 62 CO -0.02 0.68 0.41 0.58 -0.53 0.00 0.00 176.83 177.95 2jsx h VAL 63 N 0.57 1.26 0.00 2.23 2.07 -0.73 -1.73 116.25 119.91 2jsx h VAL 63 Ca 0.11 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2jsx h VAL 63 Cb 0.43 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2jsx h VAL 63 CO 0.02 0.31 0.00 0.54 0.02 0.00 0.00 177.57 178.46 2jsx n ARG 64 N -4.31 0.05 0.00 1.57 1.74 -0.48 -2.64 116.66 112.58 2jsx n ARG 64 Ca 0.08 0.14 0.10 0.00 -0.77 0.00 0.00 57.85 57.40 2jsx n ARG 64 Cb 0.14 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.56 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 -1.47 0.00 -4.49 0.55 5.03 -0.65 -4.33 115.26 109.90 2jsx n ASN 65 Ca 0.06 0.03 -0.42 0.00 0.87 0.00 0.00 54.58 55.11 2jsx n ASN 65 Cb 0.23 -0.29 -0.03 0.00 -1.02 0.00 0.00 39.78 38.66 2jsx n ASN 65 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jsx s VAL 66 N -2.59 4.08 -1.32 2.41 1.01 -1.08 -4.93 120.40 117.99 2jsx s VAL 66 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2jsx s VAL 66 Cb 0.13 -4.78 0.14 0.00 0.00 0.00 0.00 36.38 31.87 2jsx s VAL 66 CO 0.30 -1.62 2.11 -0.62 0.00 0.00 0.00 175.10 175.27 2jsx n GLU 67 N 8.38 3.94 0.00 2.72 1.02 -1.26 -3.60 120.64 131.83 2jsx n GLU 67 Ca -0.01 -3.42 0.00 0.00 -0.02 0.00 0.00 57.16 53.71 2jsx n GLU 67 Cb 0.47 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.06 2jsx n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jsx n GLY 68 N 2.49 -0.76 3.80 0.62 0.00 -1.26 -5.07 105.19 105.01 2jsx n GLY 68 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.17 5.20 -0.16 1.61 1.01 -1.24 -2.33 120.40 124.31 2jsx s VAL 69 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 2jsx s VAL 69 Cb 0.00 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2jsx s VAL 69 CO 0.00 0.50 -0.06 0.18 0.00 0.00 0.00 175.10 175.72 2jsx n LEU 70 N 2.59 1.83 -3.95 3.92 4.77 0.15 -4.87 117.00 121.43 2jsx n LEU 70 Ca -0.13 0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 56.12 2jsx n LEU 70 Cb 0.52 -0.90 -0.16 0.00 -2.33 0.00 0.00 43.42 40.55 2jsx n LEU 70 CO 0.38 -0.23 -0.45 0.00 -1.33 0.00 0.00 177.39 175.76 2jsx s ALA 71 N -2.62 1.68 -0.35 -1.18 0.00 -0.86 -5.02 121.76 113.41 2jsx s ALA 71 Ca -0.20 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 2jsx s ALA 71 Cb 0.03 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 22.09 2jsx s ALA 71 CO 0.34 -0.61 0.13 0.54 0.00 0.00 0.00 175.76 176.16 2jsx s VAL 72 N 1.55 3.91 -0.29 0.00 0.11 -1.26 -1.16 120.40 123.27 2jsx s VAL 72 Ca 0.02 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 57.88 2jsx s VAL 72 Cb -0.14 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.48 2jsx s VAL 72 CO -0.09 -0.21 0.11 -0.44 -3.33 0.00 0.00 175.10 171.14 2jsx s SER 73 N 1.46 5.30 -0.14 3.54 0.01 0.03 -4.97 113.70 118.93 2jsx s SER 73 Ca -0.01 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 56.49 2jsx s SER 73 Cb -0.20 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 2jsx s SER 73 CO 0.03 -0.15 0.90 -0.22 0.41 0.00 0.00 173.24 174.21 2jsx s LEU 74 N 1.58 4.20 0.50 2.44 0.20 -1.26 -0.48 118.68 125.87 2jsx s LEU 74 Ca 0.04 1.31 0.34 0.00 0.69 0.00 0.00 54.13 56.51 2jsx s LEU 74 Cb -0.17 -3.36 1.70 0.00 -0.43 0.00 0.00 46.19 43.94 2jsx s LEU 74 CO 0.04 -0.41 2.03 1.62 -0.29 0.00 0.00 176.35 179.33 2jsx h VAL 75 N 5.15 0.00 -0.41 1.68 3.04 -1.58 -1.50 116.25 122.62 2jsx h VAL 75 Ca -0.30 -0.14 -0.10 0.00 -1.01 0.00 0.00 66.70 65.15 2jsx h VAL 75 Cb 1.14 0.97 -0.06 0.00 -2.01 0.00 0.00 31.29 31.33 2jsx h VAL 75 CO 0.85 0.00 0.06 0.00 -1.01 0.00 0.00 177.57 177.46 2jsx n TYR 76 N -2.76 1.39 -3.66 3.17 9.36 -1.26 -4.78 117.16 118.62 2jsx n TYR 76 Ca -0.01 -1.14 -0.26 0.00 3.32 0.00 0.00 57.90 59.81 2jsx n TYR 76 Cb 0.13 -0.46 -0.17 0.00 -0.63 0.00 0.00 39.34 38.21 2jsx n TYR 76 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2jsx s HIS 77 N -2.98 0.49 -0.72 2.98 2.46 -0.57 -5.09 115.29 111.88 2jsx s HIS 77 Ca 0.46 -0.46 -0.20 0.00 0.47 0.00 0.00 55.06 55.34 2jsx s HIS 77 Cb 0.38 -0.80 0.11 0.00 -0.13 0.00 0.00 32.58 32.14 2jsx s HIS 77 CO 0.08 -0.52 0.90 -0.65 -2.47 0.00 0.00 174.74 172.09 2jsx s GLN 78 N 2.04 3.25 -0.08 2.88 -1.52 -1.26 -4.65 119.66 120.31 2jsx s GLN 78 Ca 0.01 -1.36 -0.27 0.00 -1.95 0.00 0.00 55.36 51.80 2jsx s GLN 78 Cb -0.16 -4.44 -0.23 0.00 -0.22 0.00 0.00 33.01 27.96 2jsx s GLN 78 CO -0.08 -1.68 1.00 0.37 -0.25 0.00 0.00 175.29 174.65 2jsx h GLN 79 N 9.12 0.04 0.00 2.91 5.75 -1.91 -3.50 115.11 127.53 2jsx h GLN 79 Ca -0.15 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 2jsx h GLN 79 Cb 1.06 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.62 2jsx h GLN 79 CO 1.11 0.81 0.00 0.39 -2.65 0.00 0.00 178.83 178.49 2jsx n GLU 80 N -4.66 0.00 0.20 1.69 1.02 -1.26 -3.60 120.64 114.03 2jsx n GLU 80 Ca -0.09 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.13 2jsx n GLU 80 Cb 0.41 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.16 2jsx n GLU 80 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2jsx h GLU 81 N 0.00 0.00 -6.38 3.49 4.11 -2.05 -3.44 114.58 110.31 2jsx h GLU 81 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.86 2jsx h GLU 81 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2jsx h GLU 81 CO 0.00 0.28 1.03 -1.14 0.07 0.00 0.00 179.01 179.25 2jsx s GLN 82 N -3.45 3.80 -0.01 1.06 2.00 -1.24 -5.00 119.66 116.82 2jsx s GLN 82 Ca 0.02 1.25 0.01 0.00 -2.00 0.00 0.00 55.36 54.64 2jsx s GLN 82 Cb 0.09 -3.95 -0.04 0.00 0.80 0.00 0.00 33.01 29.92 2jsx s GLN 82 CO 0.67 -1.28 0.01 0.20 -0.50 0.00 0.00 175.29 174.39 2jsx s GLY 83 N 3.40 1.88 0.00 2.59 0.00 -1.26 -4.91 107.32 109.02 2jsx s GLY 83 Ca 0.61 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2jsx s GLY 83 CO 0.27 -0.79 0.62 1.18 0.00 0.00 0.00 173.10 174.38 2jsx n GLU 84 N 1.46 0.00 -3.38 2.90 -0.58 -1.26 -4.78 120.64 115.00 2jsx n GLU 84 Ca -0.15 0.34 -0.14 0.00 -0.42 0.00 0.00 57.16 56.79 2jsx n GLU 84 Cb 0.53 -1.21 -0.09 0.00 -0.57 0.00 0.00 31.44 30.10 2jsx n GLU 84 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2jsx s GLU 85 N -1.91 0.33 -0.34 3.49 -1.05 -1.26 -5.12 118.70 112.85 2jsx s GLU 85 Ca 0.00 0.05 -0.05 0.00 -0.15 0.00 0.00 54.97 54.82 2jsx s GLU 85 Cb 0.00 -0.60 0.05 0.00 -0.44 0.00 0.00 34.13 33.13 2jsx s GLU 85 CO 0.00 -0.94 0.09 0.99 0.95 0.00 0.00 175.26 176.35 2jsx s THR 86 N 2.43 3.60 0.00 1.83 2.01 -1.26 -4.97 115.64 119.28 2jsx s THR 86 Ca 0.10 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.85 2jsx s THR 86 Cb -0.14 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2jsx s THR 86 CO -0.28 -0.21 1.59 -0.81 -0.69 0.00 0.00 174.62 174.22 2jsx n PRO 87 N 4.76 0.93 -0.61 4.92 -0.04 -1.26 -3.77 135.00 139.94 2jsx n PRO 87 Ca -0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.39 2jsx n PRO 87 Cb 0.44 -1.03 0.27 0.00 -0.04 0.00 0.00 33.50 33.14 2jsx n PRO 87 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jsx n ARG 88 N 1.23 3.06 -4.50 0.54 1.74 -1.26 -4.94 116.66 112.53 2jsx n ARG 88 Ca 0.00 -2.95 -0.24 0.00 -0.77 0.00 0.00 57.85 53.89 2jsx n ARG 88 Cb 0.47 -1.93 -0.10 0.00 -1.02 0.00 0.00 32.46 29.87 2jsx n ARG 88 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jsx s SER 89 N -1.80 2.81 -0.79 0.55 0.01 -1.25 -5.08 113.70 108.15 2jsx s SER 89 Ca 0.45 -1.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.11 2jsx s SER 89 Cb 0.37 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.63 2jsx s SER 89 CO 0.09 -0.60 0.98 -2.28 0.41 0.00 0.00 173.24 171.84 2jsx s HIS 90 N -3.14 3.02 -0.14 2.43 2.46 -1.26 -4.81 115.29 113.85 2jsx s HIS 90 Ca 0.34 -1.13 -0.12 0.00 0.47 0.00 0.00 55.06 54.62 2jsx s HIS 90 Cb 0.08 -4.21 -0.09 0.00 -0.13 0.00 0.00 32.58 28.23 2jsx s HIS 90 CO 0.16 -1.46 0.13 0.45 -2.47 0.00 0.00 174.74 171.54 2jsx h HIS 91 N 9.02 0.00 -1.23 3.88 3.86 -1.97 -3.50 115.15 125.21 2jsx h HIS 91 Ca -0.05 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.38 2jsx h HIS 91 Cb 1.05 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.27 2jsx h HIS 91 CO 1.05 0.46 0.85 -3.38 0.86 0.00 0.00 177.93 177.76 2jsx s HIS 92 N -2.03 -0.12 -2.45 2.45 -3.43 -1.26 -5.00 115.29 103.46 2jsx s HIS 92 Ca -0.13 0.17 0.21 0.00 -0.80 0.00 0.00 55.06 54.50 2jsx s HIS 92 Cb 0.01 0.49 0.24 0.00 -1.43 0.00 0.00 32.58 31.89 2jsx s HIS 92 CO 0.30 -0.12 1.22 0.72 -2.00 0.00 0.00 174.74 174.86 2jsx n HIS 93 N 0.40 0.16 -1.71 0.38 -0.00 -1.26 -5.01 115.22 108.19 2jsx n HIS 93 Ca -0.02 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2jsx n HIS 93 Cb 0.58 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.57 2jsx n HIS 93 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jsx n HIS 94 N 1.22 -0.73 -1.80 4.41 -0.00 -1.26 -5.33 115.22 111.72 2jsx n HIS 94 Ca 0.14 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.68 2jsx n HIS 94 Cb 0.53 -1.94 0.00 0.00 -0.12 0.00 0.00 29.99 28.46 2jsx n HIS 94 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38