#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsx n HIS 2 N 0.00 0.28 -0.04 2.03 -0.00 -1.26 -4.39 115.22 111.85 2jsx n HIS 2 Ca 0.00 0.08 -0.05 0.00 -0.00 0.00 0.00 57.72 57.76 2jsx n HIS 2 Cb 0.00 -0.55 -0.05 0.00 -0.00 0.00 0.00 29.99 29.39 2jsx n HIS 2 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2jsx n THR 3 N -2.22 0.50 -3.38 1.59 -1.04 -1.26 -4.87 114.28 103.60 2jsx n THR 3 Ca -0.01 -0.26 -0.44 0.00 -2.04 0.00 0.00 64.05 61.30 2jsx n THR 3 Cb 0.51 -0.82 -0.08 0.00 -1.82 0.00 0.00 70.33 68.13 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 -4.26 6.15 0.33 8.00 -0.87 -1.26 -5.00 114.94 118.03 2jsx s ASN 4 Ca -0.07 -1.26 -0.18 0.00 -1.57 0.00 0.00 52.86 49.79 2jsx s ASN 4 Cb 0.02 -2.19 0.06 0.00 -0.02 0.00 0.00 41.25 39.13 2jsx s ASN 4 CO 0.26 -0.65 0.85 -1.66 -2.57 0.00 0.00 177.10 173.33 2jsx s TRP 5 N 1.71 0.09 -0.25 2.20 1.48 -1.26 0.12 118.94 123.04 2jsx s TRP 5 Ca 0.05 -0.69 -0.08 0.00 -1.06 0.00 0.00 56.10 54.32 2jsx s TRP 5 Cb -0.23 0.80 -0.03 0.00 -1.16 0.00 0.00 33.47 32.84 2jsx s TRP 5 CO 0.07 -1.39 0.09 -0.65 -4.06 0.00 0.00 176.95 171.01 2jsx s GLN 6 N -2.33 3.71 0.22 3.25 -0.21 -0.70 -4.99 119.66 118.60 2jsx s GLN 6 Ca 0.17 -0.45 0.11 0.00 0.02 0.00 0.00 55.36 55.21 2jsx s GLN 6 Cb -0.04 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.56 2jsx s GLN 6 CO 0.10 -0.16 -0.21 0.14 -2.12 0.00 0.00 175.29 173.04 2jsx s VAL 7 N 1.56 2.24 0.12 1.09 -7.23 -1.26 -1.29 120.40 115.63 2jsx s VAL 7 Ca 0.06 -2.14 -0.14 0.00 -1.81 0.00 0.00 61.98 57.95 2jsx s VAL 7 Cb -0.15 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.70 2jsx s VAL 7 CO 0.05 -0.28 0.35 0.00 -0.31 0.00 0.00 175.10 174.91 2jsx s SER 9 N -2.82 3.94 -0.13 0.00 0.15 -0.90 -0.25 113.70 113.69 2jsx s SER 9 Ca 0.04 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.38 2jsx s SER 9 Cb 0.03 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.62 2jsx s SER 9 CO -0.11 0.28 -0.21 -0.76 1.20 0.00 0.00 173.24 173.64 2jsx s LEU 10 N -1.23 2.05 -0.53 3.45 1.43 0.13 0.35 118.68 124.33 2jsx s LEU 10 Ca 0.14 -0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 2jsx s LEU 10 Cb -0.11 -1.38 0.09 0.00 0.03 0.00 0.00 46.19 44.83 2jsx s LEU 10 CO 0.04 0.08 0.56 -0.69 0.23 0.00 0.00 176.35 176.58 2jsx s VAL 11 N 0.76 5.03 -0.28 -1.59 1.01 0.13 -0.79 120.40 124.67 2jsx s VAL 11 Ca -0.09 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 2jsx s VAL 11 Cb -0.16 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2jsx s VAL 11 CO -0.00 -0.87 0.47 -0.69 0.00 0.00 0.00 175.10 174.01 2jsx s VAL 12 N 2.15 5.09 -0.26 2.92 1.01 0.42 -0.54 120.40 131.20 2jsx s VAL 12 Ca 0.08 0.68 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 2jsx s VAL 12 Cb -0.25 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2jsx s VAL 12 CO 0.07 0.05 0.55 -1.10 0.00 0.00 0.00 175.10 174.67 2jsx s GLN 13 N 2.25 4.09 0.27 2.72 -0.21 0.11 -1.20 119.66 127.69 2jsx s GLN 13 Ca 0.19 0.40 0.02 0.00 0.02 0.00 0.00 55.36 55.99 2jsx s GLN 13 Cb -0.16 -3.65 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 2jsx s GLN 13 CO 0.10 -0.36 0.16 0.00 -2.12 0.00 0.00 175.29 173.07 2jsx s ALA 14 N 2.34 1.66 -0.15 6.09 0.00 -0.38 -0.53 121.76 130.79 2jsx s ALA 14 Ca 0.23 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 2jsx s ALA 14 Cb -0.16 1.27 -0.07 0.00 0.00 0.00 0.00 23.12 24.17 2jsx s ALA 14 CO 0.09 -0.56 2.15 1.63 0.00 0.00 0.00 175.76 179.07 2jsx n LYS 15 N -0.48 2.15 0.22 0.00 4.01 -0.51 -4.78 118.16 118.78 2jsx n LYS 15 Ca 0.02 0.67 0.13 0.00 -0.51 0.00 0.00 58.31 58.62 2jsx n LYS 15 Cb 0.65 -3.11 0.74 0.00 -0.51 0.00 0.00 35.03 32.80 2jsx n LYS 15 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2jsx h SER 16 N 13.52 0.00 1.68 4.39 0.02 -1.87 -0.19 113.55 131.11 2jsx h SER 16 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2jsx h SER 16 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2jsx h SER 16 CO 0.96 0.00 -0.20 1.05 -1.14 0.00 0.00 176.83 177.50 2jsx h GLU 17 N 0.00 0.00 -0.27 3.45 4.11 -1.89 -3.32 114.58 116.66 2jsx h GLU 17 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2jsx h GLU 17 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jsx h GLU 17 CO -0.00 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 176.95 2jsx n ARG 18 N -2.83 2.84 -0.30 1.06 0.63 -0.12 -4.72 116.66 113.23 2jsx n ARG 18 Ca 0.04 -2.43 0.08 0.00 -0.92 0.00 0.00 57.85 54.61 2jsx n ARG 18 Cb 0.51 -1.55 0.23 0.00 0.45 0.00 0.00 32.46 32.10 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 1.74 0.72 -0.40 5.15 1.08 -1.57 -1.12 117.51 123.11 2jsx h ILE 19 Ca 0.00 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2jsx h ILE 19 Cb 1.08 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 2jsx h ILE 19 CO 0.11 0.12 0.23 0.28 -0.69 0.00 0.00 178.15 178.19 2jsx h SER 20 N 0.63 0.49 -0.27 1.72 0.02 -1.91 0.23 113.55 114.47 2jsx h SER 20 Ca 0.47 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2jsx h SER 20 Cb 0.67 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2jsx h SER 20 CO -0.37 0.42 0.12 -0.78 -1.14 0.00 0.00 176.83 175.08 2jsx h ASP 21 N 0.52 0.36 -0.47 3.07 3.58 -1.67 -2.50 116.42 119.31 2jsx h ASP 21 Ca 0.14 -0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2jsx h ASP 21 Cb 0.03 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2jsx h ASP 21 CO -0.02 0.40 -0.15 0.40 -2.88 0.00 0.00 179.24 176.99 2jsx h ILE 22 N 0.29 1.27 -0.46 2.25 2.04 -1.02 -2.26 117.51 119.61 2jsx h ILE 22 Ca 0.09 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 2jsx h ILE 22 Cb 0.15 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2jsx h ILE 22 CO -0.01 0.45 0.19 -1.28 0.00 0.00 0.00 178.15 177.50 2jsx h SER 23 N 0.85 0.59 0.40 1.72 0.87 -0.40 0.12 113.55 117.69 2jsx h SER 23 Ca 0.13 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 2jsx h SER 23 Cb 0.70 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2jsx h SER 23 CO 0.05 0.53 -0.66 0.74 -0.53 0.00 0.00 176.83 176.96 2jsx h THR 24 N 0.65 1.41 -0.10 2.23 2.02 -1.02 -0.12 112.91 117.97 2jsx h THR 24 Ca 0.16 -2.11 -0.15 0.00 0.77 0.00 0.00 66.41 65.08 2jsx h THR 24 Cb 0.12 2.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2jsx h THR 24 CO -0.02 0.62 -0.53 1.56 0.37 0.00 0.00 175.52 177.53 2jsx h GLN 25 N 0.17 0.54 -0.22 6.66 4.20 -0.78 -3.08 115.11 122.59 2jsx h GLN 25 Ca -0.01 -0.44 -0.20 0.00 0.06 0.00 0.00 58.65 58.06 2jsx h GLN 25 Cb 1.19 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2jsx h GLN 25 CO 0.10 1.07 -0.63 -0.07 -0.67 0.00 0.00 178.83 178.63 2jsx h LEU 26 N 0.15 0.91 -0.01 1.46 3.38 -0.61 -2.99 115.31 117.59 2jsx h LEU 26 Ca -0.04 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2jsx h LEU 26 Cb 1.17 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2jsx h LEU 26 CO 0.11 1.32 0.00 -3.20 0.09 0.00 0.00 178.44 176.76 2jsx n ASN 27 N -3.97 0.01 -0.49 -0.43 5.15 -0.07 -2.51 115.26 112.95 2jsx n ASN 27 Ca -0.05 -1.76 0.06 0.00 -0.60 0.00 0.00 54.58 52.24 2jsx n ASN 27 Cb 0.67 -0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.97 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jsx n ALA 28 N -0.61 2.53 -1.88 5.20 0.00 -1.13 -4.86 120.51 119.75 2jsx n ALA 28 Ca 0.06 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.57 2jsx n ALA 28 Cb 0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.11 3.42 0.47 0.00 0.08 -1.05 -4.95 117.98 114.85 2jsx s PHE 29 Ca 0.14 1.57 0.30 0.00 0.12 0.00 0.00 56.93 59.07 2jsx s PHE 29 Cb 0.11 -2.80 1.39 0.00 -0.57 0.00 0.00 43.02 41.15 2jsx s PHE 29 CO 0.17 0.01 1.74 -1.35 -0.10 0.00 0.00 175.22 175.70 2jsx h PRO 30 N 2.31 0.15 0.00 0.24 0.11 -1.94 -1.60 132.00 131.26 2jsx h PRO 30 Ca -0.48 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2jsx h PRO 30 Cb 1.18 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 2jsx h PRO 30 CO 0.63 0.10 -0.60 0.41 -0.21 0.00 0.00 178.00 178.32 2jsx n GLY 31 N -1.63 1.00 3.31 -0.55 0.00 -1.26 -5.02 105.19 101.04 2jsx n GLY 31 Ca 0.29 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 1.42 1.91 -0.32 0.00 2.12 -0.26 -4.27 118.70 119.31 2jsx s GLU 33 Ca 0.05 -0.61 -0.27 0.00 0.36 0.00 0.00 54.97 54.50 2jsx s GLU 33 Cb -0.14 -1.62 0.01 0.00 0.26 0.00 0.00 34.13 32.64 2jsx s GLU 33 CO -0.03 0.21 0.95 0.08 -0.54 0.00 0.00 175.26 175.93 2jsx s VAL 34 N 0.15 4.63 -0.16 3.70 1.01 -1.26 -0.34 120.40 128.13 2jsx s VAL 34 Ca -0.07 1.49 -0.13 0.00 0.00 0.00 0.00 61.98 63.27 2jsx s VAL 34 Cb -0.13 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 2jsx s VAL 34 CO 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 175.10 174.76 2jsx h ALA 35 N 8.12 0.08 -3.16 5.51 0.00 -1.12 -3.47 119.26 125.22 2jsx h ALA 35 Ca -0.22 -0.64 -0.58 0.00 0.00 0.00 0.00 54.91 53.46 2jsx h ALA 35 Cb 1.08 0.47 -0.36 0.00 0.00 0.00 0.00 17.79 18.98 2jsx h ALA 35 CO 0.97 0.46 -0.83 0.08 0.00 0.00 0.00 179.25 179.94 2jsx s VAL 36 N -2.18 1.42 -0.30 0.00 1.01 -1.19 -5.00 120.40 114.16 2jsx s VAL 36 Ca -0.17 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2jsx s VAL 36 Cb 0.03 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 35.11 2jsx s VAL 36 CO 0.33 0.43 0.01 -0.94 0.00 0.00 0.00 175.10 174.93 2jsx s SER 37 N 1.46 4.90 -0.61 3.32 1.04 -1.26 0.30 113.70 122.84 2jsx s SER 37 Ca 0.03 -1.29 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 2jsx s SER 37 Cb -0.13 -1.72 0.16 0.00 0.10 0.00 0.00 66.02 64.43 2jsx s SER 37 CO -0.09 -0.27 0.43 -0.62 0.98 0.00 0.00 173.24 173.67 2jsx s ASP 38 N 1.27 5.24 0.22 7.02 2.15 0.08 -4.97 116.67 127.68 2jsx s ASP 38 Ca -0.05 -2.81 -0.07 0.00 0.43 0.00 0.00 52.55 50.05 2jsx s ASP 38 Cb -0.20 -1.85 0.35 0.00 -0.30 0.00 0.00 42.92 40.91 2jsx s ASP 38 CO -0.01 -0.38 1.75 0.00 -0.17 0.00 0.00 175.17 176.36 2jsx h ALA 39 N 7.09 0.92 -1.01 3.66 0.00 -1.92 -1.33 119.26 126.66 2jsx h ALA 39 Ca -0.02 0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.21 2jsx h ALA 39 Cb 0.96 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2jsx h ALA 39 CO 0.71 -0.15 0.62 -1.00 0.00 0.00 0.00 179.25 179.43 2jsx h PRO 40 N 0.48 0.55 0.00 0.00 0.13 -1.93 -0.92 132.00 130.31 2jsx h PRO 40 Ca 0.35 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 2jsx h PRO 40 Cb 0.44 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.45 2jsx h PRO 40 CO -0.32 0.36 -1.16 0.43 -0.23 0.00 0.00 178.00 177.08 2jsx n SER 41 N -4.74 0.62 -0.41 1.44 7.64 -1.00 -4.95 113.62 112.21 2jsx n SER 41 Ca 0.25 0.12 -0.04 0.00 1.01 0.00 0.00 58.87 60.20 2jsx n SER 41 Cb 0.73 0.80 -0.01 0.00 -1.01 0.00 0.00 64.21 64.72 2jsx n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jsx n GLY 42 N 1.25 0.47 3.35 0.23 0.00 -0.35 -4.93 105.19 105.22 2jsx n GLY 42 Ca -0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.25 2.55 -0.06 1.61 -0.21 -0.97 -1.24 119.66 118.09 2jsx s GLN 43 Ca 0.00 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 54.60 2jsx s GLN 43 Cb 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.75 2jsx s GLN 43 CO 0.00 0.47 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.97 2jsx s LEU 44 N -0.37 1.85 -0.30 2.90 1.02 -0.34 -0.74 118.68 122.71 2jsx s LEU 44 Ca 0.03 -0.36 -0.16 0.00 0.02 0.00 0.00 54.13 53.66 2jsx s LEU 44 Cb -0.12 -0.97 -0.02 0.00 0.02 0.00 0.00 46.19 45.10 2jsx s LEU 44 CO 0.02 0.11 0.42 -0.63 0.02 0.00 0.00 176.35 176.29 2jsx s ILE 45 N 0.27 5.13 -0.19 -0.59 -1.09 0.15 -0.43 121.20 124.44 2jsx s ILE 45 Ca -0.09 0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 2jsx s ILE 45 Cb -0.14 -3.79 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 2jsx s ILE 45 CO 0.03 0.02 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.90 2jsx s VAL 46 N 2.16 2.21 -0.21 2.92 1.01 0.03 -0.43 120.40 128.10 2jsx s VAL 46 Ca 0.16 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 2jsx s VAL 46 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2jsx s VAL 46 CO 0.11 0.48 0.41 -0.69 0.00 0.00 0.00 175.10 175.41 2jsx s VAL 47 N 1.29 5.18 -0.17 2.92 1.01 0.54 0.20 120.40 131.38 2jsx s VAL 47 Ca 0.04 0.73 -0.00 0.00 0.00 0.00 0.00 61.98 62.75 2jsx s VAL 47 Cb -0.14 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2jsx s VAL 47 CO -0.11 0.23 -0.15 -0.69 0.00 0.00 0.00 175.10 174.38 2jsx s VAL 48 N 1.45 2.61 -0.12 2.92 1.01 0.66 -1.10 120.40 127.83 2jsx s VAL 48 Ca 0.19 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2jsx s VAL 48 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2jsx s VAL 48 CO 0.08 0.51 0.02 -1.61 0.00 0.00 0.00 175.10 174.10 2jsx s GLU 49 N 0.99 3.34 0.16 2.72 8.01 0.36 -0.88 118.70 133.39 2jsx s GLU 49 Ca -0.02 -0.39 -0.16 0.00 0.01 0.00 0.00 54.97 54.40 2jsx s GLU 49 Cb -0.15 -2.93 0.03 0.00 -4.31 0.00 0.00 34.13 26.78 2jsx s GLU 49 CO -0.03 0.54 0.45 0.00 0.01 0.00 0.00 175.26 176.24 2jsx s ALA 50 N -0.43 -0.90 0.00 5.21 0.00 -0.42 -4.33 121.76 120.89 2jsx s ALA 50 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2jsx s ALA 50 Cb -0.12 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2jsx s ALA 50 CO 0.02 -0.71 0.00 -1.91 0.00 0.00 0.00 175.76 173.16 2jsx n GLU 51 N -0.28 0.00 -2.88 0.00 4.07 -1.26 -1.73 120.64 118.56 2jsx n GLU 51 Ca -0.13 0.34 -0.30 0.00 -0.06 0.00 0.00 57.16 57.01 2jsx n GLU 51 Cb 0.63 -0.84 -0.03 0.00 -0.06 0.00 0.00 31.44 31.15 2jsx n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2jsx s ASP 52 N -2.37 6.49 0.11 4.31 1.01 -1.26 -4.23 116.67 120.73 2jsx s ASP 52 Ca 0.00 1.07 -0.16 0.00 0.71 0.00 0.00 52.55 54.17 2jsx s ASP 52 Cb 0.00 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 2jsx s ASP 52 CO 0.00 -0.39 1.55 0.28 0.21 0.00 0.00 175.17 176.81 2jsx h SER 53 N 1.20 0.63 -0.40 0.27 0.02 -1.98 0.62 113.55 113.92 2jsx h SER 53 Ca -0.47 -0.32 -0.14 0.00 -0.84 0.00 0.00 61.79 60.02 2jsx h SER 53 Cb 1.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2jsx h SER 53 CO 0.64 0.80 -0.31 -0.08 -1.14 0.00 0.00 176.83 176.74 2jsx h GLU 54 N 0.45 0.92 -0.76 3.45 4.81 -1.99 -0.93 114.58 120.52 2jsx h GLU 54 Ca 0.10 -0.45 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 2jsx h GLU 54 Cb 0.48 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2jsx h GLU 54 CO 0.02 1.10 0.47 1.15 -0.73 0.00 0.00 179.01 181.03 2jsx h THR 55 N 0.74 1.07 0.04 0.32 2.02 -1.91 0.51 112.91 115.70 2jsx h THR 55 Ca 0.08 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.95 2jsx h THR 55 Cb 0.89 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2jsx h THR 55 CO 0.08 0.16 -0.06 0.25 0.37 0.00 0.00 175.52 176.32 2jsx h LEU 56 N 0.90 -0.16 -0.32 2.58 5.85 -0.44 -0.44 115.31 123.27 2jsx h LEU 56 Ca 0.31 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.10 2jsx h LEU 56 Cb 0.07 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2jsx h LEU 56 CO -0.13 -0.09 0.08 0.40 -0.34 0.00 0.00 178.44 178.36 2jsx h ILE 57 N -0.13 0.87 -0.53 4.05 2.04 -0.53 -0.60 117.51 122.67 2jsx h ILE 57 Ca 0.01 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2jsx h ILE 57 Cb 0.13 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2jsx h ILE 57 CO -0.03 0.04 0.18 1.56 0.00 0.00 0.00 178.15 179.90 2jsx h GLN 58 N 0.21 0.78 -0.48 2.37 4.20 -0.73 0.78 115.11 122.24 2jsx h GLN 58 Ca 0.15 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 2jsx h GLN 58 Cb 0.15 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2jsx h GLN 58 CO -0.18 0.67 -0.03 1.15 -0.67 0.00 0.00 178.83 179.76 2jsx h THR 59 N 0.77 1.27 -0.18 -0.54 2.02 -0.28 -1.55 112.91 114.41 2jsx h THR 59 Ca 0.18 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 2jsx h THR 59 Cb 0.20 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2jsx h THR 59 CO -0.01 0.39 -0.29 0.40 0.37 0.00 0.00 175.52 176.38 2jsx h ILE 60 N 0.73 1.27 -0.31 3.11 2.04 -0.45 -1.59 117.51 122.31 2jsx h ILE 60 Ca 0.13 -1.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.63 2jsx h ILE 60 Cb 0.56 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2jsx h ILE 60 CO 0.03 0.40 -0.16 -0.33 0.00 0.00 0.00 178.15 178.09 2jsx h GLU 61 N 0.31 0.55 -0.51 2.37 5.08 -0.53 -0.29 114.58 121.55 2jsx h GLU 61 Ca 0.04 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2jsx h GLU 61 Cb 0.67 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2jsx h GLU 61 CO 0.05 0.69 0.01 1.03 -1.00 0.00 0.00 179.01 179.79 2jsx h SER 62 N 0.50 0.83 -0.72 1.42 0.87 -0.48 -1.17 113.55 114.80 2jsx h SER 62 Ca 0.09 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2jsx h SER 62 Cb 0.56 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2jsx h SER 62 CO 0.04 0.88 0.39 0.58 -0.53 0.00 0.00 176.83 178.19 2jsx h VAL 63 N 0.80 1.22 0.00 2.23 2.07 -0.64 -1.83 116.25 120.10 2jsx h VAL 63 Ca 0.15 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2jsx h VAL 63 Cb 0.46 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2jsx h VAL 63 CO 0.02 0.24 0.00 0.54 0.02 0.00 0.00 177.57 178.39 2jsx n ARG 64 N -4.48 0.07 -0.01 1.57 1.74 -0.18 -2.22 116.66 113.14 2jsx n ARG 64 Ca 0.06 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.55 2jsx n ARG 64 Cb 0.09 -1.62 0.55 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.75 1.31 -4.73 0.55 3.02 -0.52 -4.84 115.26 108.31 2jsx n ASN 65 Ca 0.04 -1.47 -0.41 0.00 -0.03 0.00 0.00 54.58 52.70 2jsx n ASN 65 Cb 0.22 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 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 -1.96 4.10 0.20 2.41 1.01 -0.94 -4.92 120.40 120.29 2jsx s VAL 66 Ca 0.38 1.67 0.23 0.00 0.00 0.00 0.00 61.98 64.26 2jsx s VAL 66 Cb 0.20 -4.07 0.21 0.00 0.00 0.00 0.00 36.38 32.73 2jsx s VAL 66 CO 0.32 0.22 1.84 -0.33 0.00 0.00 0.00 175.10 177.16 2jsx h GLU 67 N 5.84 0.00 -0.01 2.72 4.39 -1.90 -1.03 114.58 124.59 2jsx h GLU 67 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2jsx h GLU 67 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2jsx h GLU 67 CO 0.75 0.25 -0.14 0.41 -1.16 0.00 0.00 179.01 179.13 2jsx n GLY 68 N 0.01 -0.53 3.80 -3.84 0.00 -1.26 -4.86 105.19 98.50 2jsx n GLY 68 Ca -0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.33 4.93 -0.13 1.61 1.01 -0.39 -1.42 120.40 123.68 2jsx s VAL 69 Ca 0.31 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 63.19 2jsx s VAL 69 Cb 0.20 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2jsx s VAL 69 CO 0.45 0.51 -0.28 0.18 0.00 0.00 0.00 175.10 175.95 2jsx n LEU 70 N 2.22 1.67 -3.77 3.92 4.77 0.31 -4.91 117.00 121.20 2jsx n LEU 70 Ca -0.11 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 2jsx n LEU 70 Cb 0.51 -0.67 -0.15 0.00 -2.33 0.00 0.00 43.42 40.78 2jsx n LEU 70 CO 0.41 -0.34 -0.29 0.00 -1.33 0.00 0.00 177.39 175.84 2jsx s ALA 71 N -2.82 -0.11 -0.36 -1.18 0.00 -0.88 -5.01 121.76 111.41 2jsx s ALA 71 Ca -0.23 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 2jsx s ALA 71 Cb 0.03 -0.31 0.05 0.00 0.00 0.00 0.00 23.12 22.89 2jsx s ALA 71 CO 0.34 -0.12 0.14 0.08 0.00 0.00 0.00 175.76 176.21 2jsx s VAL 72 N 0.93 3.90 -0.40 0.00 1.01 -1.26 0.04 120.40 124.62 2jsx s VAL 72 Ca -0.07 -1.19 -0.23 0.00 0.00 0.00 0.00 61.98 60.49 2jsx s VAL 72 Cb -0.10 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.04 2jsx s VAL 72 CO -0.04 -0.26 0.76 -0.44 0.00 0.00 0.00 175.10 175.13 2jsx s SER 73 N 1.54 6.48 -0.41 3.32 0.01 0.30 -4.92 113.70 120.02 2jsx s SER 73 Ca -0.00 0.13 -0.26 0.00 1.31 0.00 0.00 55.95 57.13 2jsx s SER 73 Cb -0.20 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2jsx s SER 73 CO 0.03 -0.79 0.92 -0.22 0.41 0.00 0.00 173.24 173.59 2jsx s LEU 74 N 3.13 4.00 -1.07 2.44 0.20 -1.26 -0.69 118.68 125.42 2jsx s LEU 74 Ca 0.30 0.35 -0.15 0.00 0.69 0.00 0.00 54.13 55.32 2jsx s LEU 74 Cb -0.13 -3.22 0.18 0.00 -0.43 0.00 0.00 46.19 42.58 2jsx s LEU 74 CO 0.19 -0.95 1.23 -0.69 -0.29 0.00 0.00 176.35 175.84 2jsx s VAL 75 N 3.61 5.11 -0.30 1.68 1.01 0.15 -4.83 120.40 126.84 2jsx s VAL 75 Ca 0.37 -2.38 -0.16 0.00 0.00 0.00 0.00 61.98 59.81 2jsx s VAL 75 Cb -0.11 -4.79 0.17 0.00 0.00 0.00 0.00 36.38 31.65 2jsx s VAL 75 CO 0.22 -1.47 1.07 -0.47 0.00 0.00 0.00 175.10 174.45 2jsx s TYR 76 N 1.44 -0.46 -0.11 5.22 5.04 -1.26 -2.12 117.35 125.10 2jsx s TYR 76 Ca 0.36 0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 55.82 2jsx s TYR 76 Cb -0.05 0.27 -0.03 0.00 0.35 0.00 0.00 41.96 42.51 2jsx s TYR 76 CO -0.05 -0.23 -0.07 -1.01 -1.34 0.00 0.00 175.55 172.85 2jsx s HIS 77 N 1.79 2.94 -1.25 4.97 3.76 -1.26 -5.02 115.29 121.22 2jsx s HIS 77 Ca -0.05 -0.24 -0.18 0.00 -0.15 0.00 0.00 55.06 54.44 2jsx s HIS 77 Cb -0.04 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.90 2jsx s HIS 77 CO -0.15 0.08 1.66 -0.65 -0.85 0.00 0.00 174.74 174.82 2jsx s GLN 78 N -0.12 3.94 -1.19 1.40 -0.21 -1.26 -4.87 119.66 117.35 2jsx s GLN 78 Ca 0.01 -1.95 -0.17 0.00 0.02 0.00 0.00 55.36 53.27 2jsx s GLN 78 Cb -0.13 -5.45 0.12 0.00 1.00 0.00 0.00 33.01 28.54 2jsx s GLN 78 CO 0.03 -2.19 1.52 -0.65 -2.12 0.00 0.00 175.29 171.87 2jsx s GLN 79 N 4.00 3.96 -0.20 2.91 -1.52 -1.26 -4.93 119.66 122.62 2jsx s GLN 79 Ca 0.51 -2.14 -0.01 0.00 -1.95 0.00 0.00 55.36 51.77 2jsx s GLN 79 Cb 0.03 -5.25 0.01 0.00 -0.22 0.00 0.00 33.01 27.57 2jsx s GLN 79 CO 0.05 -1.99 -0.13 -1.83 -0.25 0.00 0.00 175.29 171.13 2jsx s GLU 80 N 2.99 3.13 0.11 2.91 -1.05 -1.26 -4.97 118.70 120.56 2jsx s GLU 80 Ca 0.46 -0.76 0.18 0.00 -0.15 0.00 0.00 54.97 54.70 2jsx s GLU 80 Cb -0.00 -2.76 -0.09 0.00 -0.44 0.00 0.00 34.13 30.84 2jsx s GLU 80 CO 0.01 -0.21 0.91 1.05 0.95 0.00 0.00 175.26 177.97 2jsx h GLU 81 N 8.01 0.00 -5.76 -4.83 4.11 -2.05 -3.47 114.58 110.59 2jsx h GLU 81 Ca -0.44 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.50 2jsx h GLU 81 Cb 1.15 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.25 2jsx h GLU 81 CO 0.62 0.22 -0.74 -1.14 0.07 0.00 0.00 179.01 178.04 2jsx s GLN 82 N -3.04 1.43 -0.84 1.06 2.00 -1.26 -5.07 119.66 113.94 2jsx s GLN 82 Ca -0.02 -1.64 -0.23 0.00 -2.00 0.00 0.00 55.36 51.48 2jsx s GLN 82 Cb 0.09 -1.31 0.07 0.00 0.80 0.00 0.00 33.01 32.66 2jsx s GLN 82 CO 0.80 0.23 1.19 0.20 -0.50 0.00 0.00 175.29 177.21 2jsx s GLY 83 N -3.36 1.38 -1.42 2.59 0.00 -1.26 -4.90 107.32 100.36 2jsx s GLY 83 Ca 0.25 -2.09 -0.14 0.00 0.00 0.00 0.00 44.72 42.74 2jsx s GLY 83 CO 0.09 2.33 2.34 -2.21 0.00 0.00 0.00 173.10 175.65 2jsx n GLU 84 N 8.05 2.87 0.06 2.90 2.13 -1.26 -3.55 120.64 131.85 2jsx n GLU 84 Ca 0.14 -2.42 0.00 0.00 0.66 0.00 0.00 57.16 55.54 2jsx n GLU 84 Cb 0.48 -3.14 0.00 0.00 0.27 0.00 0.00 31.44 29.06 2jsx n GLU 84 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jsx n GLU 85 N 5.65 0.00 -3.39 5.31 2.13 -1.26 -4.96 120.64 124.12 2jsx n GLU 85 Ca 0.57 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 58.19 2jsx n GLU 85 Cb 0.35 -0.45 -0.09 0.00 0.27 0.00 0.00 31.44 31.53 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 -1.98 -0.23 -2.00 6.31 2.01 -1.23 -5.01 115.64 113.50 2jsx s THR 86 Ca 0.00 -1.10 0.07 0.00 0.31 0.00 0.00 61.69 60.98 2jsx s THR 86 Cb 0.00 -0.80 0.20 0.00 0.01 0.00 0.00 72.50 71.92 2jsx s THR 86 CO 0.00 -0.66 1.08 -2.65 -0.69 0.00 0.00 174.62 171.70 2jsx n PRO 87 N 4.31 0.77 -5.03 4.92 -0.02 -1.26 -4.74 135.00 133.96 2jsx n PRO 87 Ca 0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.27 2jsx n PRO 87 Cb 0.43 -1.14 -0.15 0.00 -0.02 0.00 0.00 33.50 32.62 2jsx n PRO 87 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jsx s ARG 88 N -2.00 2.10 0.00 -0.52 0.52 -1.26 -4.98 118.95 112.81 2jsx s ARG 88 Ca 0.11 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 2jsx s ARG 88 Cb 0.05 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.41 2jsx s ARG 88 CO 0.08 0.56 0.00 0.45 0.02 0.00 0.00 175.30 176.41 2jsx n SER 89 N 2.10 0.00 -3.71 0.23 2.88 -1.26 -5.10 113.62 108.76 2jsx n SER 89 Ca -0.16 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.25 2jsx n SER 89 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.85 2jsx n SER 89 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2jsx s HIS 90 N -0.87 -0.39 0.19 0.66 2.46 -1.26 -4.99 115.29 111.09 2jsx s HIS 90 Ca 0.00 0.90 0.00 0.00 0.47 0.00 0.00 55.06 56.43 2jsx s HIS 90 Cb 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 2jsx s HIS 90 CO 0.00 -0.27 0.00 1.58 -2.47 0.00 0.00 174.74 173.58 2jsx n HIS 91 N 4.42 -2.80 -1.88 3.88 -0.00 -1.26 -5.08 115.22 112.50 2jsx n HIS 91 Ca -0.22 0.58 -0.41 0.00 -0.00 0.00 0.00 57.72 57.67 2jsx n HIS 91 Cb 0.53 1.65 -0.01 0.00 -0.00 0.00 0.00 29.99 32.15 2jsx n HIS 91 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jsx s HIS 92 N -2.00 2.78 -0.10 1.57 -3.43 -1.26 -4.89 115.29 107.95 2jsx s HIS 92 Ca 0.00 1.07 -0.29 0.00 -0.80 0.00 0.00 55.06 55.04 2jsx s HIS 92 Cb 0.00 -3.95 -0.04 0.00 -1.43 0.00 0.00 32.58 27.16 2jsx s HIS 92 CO 0.00 -2.93 1.53 -1.01 -2.00 0.00 0.00 174.74 170.33 2jsx s HIS 93 N -0.63 2.25 -0.46 0.38 3.76 -1.26 -4.94 115.29 114.40 2jsx s HIS 93 Ca 0.56 0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 55.66 2jsx s HIS 93 Cb -0.45 -3.80 0.03 0.00 1.11 0.00 0.00 32.58 29.47 2jsx s HIS 93 CO 0.54 -3.11 1.18 -1.58 -0.85 0.00 0.00 174.74 170.92 2jsx s HIS 94 N 3.99 2.76 -2.99 1.40 2.46 -1.26 -5.26 115.29 116.38 2jsx s HIS 94 Ca 0.67 0.74 0.24 0.00 0.47 0.00 0.00 55.06 57.18 2jsx s HIS 94 Cb -0.29 -4.37 0.19 0.00 -0.13 0.00 0.00 32.58 27.98 2jsx s HIS 94 CO 0.25 -1.37 1.26 0.72 -2.47 0.00 0.00 174.74 173.13