#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 3.49 0.05 1.12 0.09 -1.26 -4.90 115.29 113.88 2jsx s HIS 2 Ca 0.00 -2.14 0.20 0.00 -0.00 0.00 0.00 55.06 53.13 2jsx s HIS 2 Cb 0.00 -3.48 0.62 0.00 -0.00 0.00 0.00 32.58 29.71 2jsx s HIS 2 CO 0.00 -0.95 1.70 1.15 -0.00 0.00 0.00 174.74 176.63 2jsx h THR 3 N 5.61 0.69 -4.77 1.30 2.02 -2.05 -3.48 112.91 112.23 2jsx h THR 3 Ca -0.09 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2jsx h THR 3 Cb 1.03 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2jsx h THR 3 CO 0.80 0.32 -0.71 -3.20 0.37 0.00 0.00 175.52 173.10 2jsx n ASN 4 N -3.37 -6.93 -4.71 4.18 2.85 -1.26 -4.99 115.26 101.03 2jsx n ASN 4 Ca 0.01 0.99 -0.33 0.00 -0.11 0.00 0.00 54.58 55.13 2jsx n ASN 4 Cb 0.53 -4.57 0.11 0.00 1.24 0.00 0.00 39.78 37.10 2jsx n ASN 4 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 2jsx s TRP 5 N -1.59 1.96 -0.25 1.20 1.48 -1.26 -4.97 118.94 115.51 2jsx s TRP 5 Ca 0.05 1.65 -0.21 0.00 -1.06 0.00 0.00 56.10 56.53 2jsx s TRP 5 Cb -0.01 -3.41 -0.02 0.00 -1.16 0.00 0.00 33.47 28.87 2jsx s TRP 5 CO 0.64 -2.62 0.67 -0.65 -4.06 0.00 0.00 176.95 170.93 2jsx s GLN 6 N -4.19 4.13 -0.24 3.25 -0.21 0.97 -4.90 119.66 118.47 2jsx s GLN 6 Ca 0.71 0.62 0.01 0.00 0.02 0.00 0.00 55.36 56.73 2jsx s GLN 6 Cb -0.27 -3.65 0.04 0.00 1.00 0.00 0.00 33.01 30.14 2jsx s GLN 6 CO 0.50 -0.43 -0.12 0.14 -2.12 0.00 0.00 175.29 173.26 2jsx s VAL 7 N 2.56 2.33 0.08 1.09 -7.23 -1.26 -1.26 120.40 116.72 2jsx s VAL 7 Ca 0.28 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 59.19 2jsx s VAL 7 Cb -0.15 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2jsx s VAL 7 CO 0.08 0.17 -0.15 0.00 -0.31 0.00 0.00 175.10 174.89 2jsx s SER 9 N -1.92 6.51 -0.17 0.00 0.15 0.24 -0.62 113.70 117.88 2jsx s SER 9 Ca 0.01 0.61 -0.01 0.00 0.70 0.00 0.00 55.95 57.27 2jsx s SER 9 Cb -0.09 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2jsx s SER 9 CO 0.03 0.38 -0.14 -0.76 1.20 0.00 0.00 173.24 173.95 2jsx s LEU 10 N -1.09 2.52 -0.56 3.45 1.43 0.18 0.13 118.68 124.74 2jsx s LEU 10 Ca 0.18 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 2jsx s LEU 10 Cb -0.13 -1.59 0.09 0.00 0.03 0.00 0.00 46.19 44.59 2jsx s LEU 10 CO 0.07 0.05 0.64 -0.69 0.23 0.00 0.00 176.35 176.66 2jsx s VAL 11 N 1.01 4.90 -0.48 -1.59 1.01 -0.17 -0.90 120.40 124.19 2jsx s VAL 11 Ca -0.01 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 2jsx s VAL 11 Cb -0.15 -4.41 0.05 0.00 0.00 0.00 0.00 36.38 31.88 2jsx s VAL 11 CO -0.03 -0.99 0.59 -0.69 0.00 0.00 0.00 175.10 173.98 2jsx s VAL 12 N 2.49 4.92 -0.28 2.92 1.01 0.12 -0.81 120.40 130.78 2jsx s VAL 12 Ca 0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 2jsx s VAL 12 Cb -0.24 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2jsx s VAL 12 CO 0.07 -0.71 0.86 -1.10 0.00 0.00 0.00 175.10 174.23 2jsx s GLN 13 N 2.52 4.09 0.19 2.72 -0.21 0.47 -0.89 119.66 128.56 2jsx s GLN 13 Ca 0.15 0.86 -0.01 0.00 0.02 0.00 0.00 55.36 56.38 2jsx s GLN 13 Cb -0.19 -3.69 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 2jsx s GLN 13 CO 0.13 -0.64 0.12 0.00 -2.12 0.00 0.00 175.29 172.78 2jsx s ALA 14 N 3.02 1.16 -0.14 6.09 0.00 0.03 0.24 121.76 132.17 2jsx s ALA 14 Ca 0.36 -1.68 -0.32 0.00 0.00 0.00 0.00 51.96 50.32 2jsx s ALA 14 Cb -0.14 1.28 -0.09 0.00 0.00 0.00 0.00 23.12 24.17 2jsx s ALA 14 CO 0.10 -0.56 2.05 1.63 0.00 0.00 0.00 175.76 178.97 2jsx n LYS 15 N -0.26 2.09 0.25 0.00 4.01 -0.42 -4.67 118.16 119.17 2jsx n LYS 15 Ca 0.01 0.70 0.09 0.00 -0.51 0.00 0.00 58.31 58.60 2jsx n LYS 15 Cb 0.66 -2.86 0.65 0.00 -0.51 0.00 0.00 35.03 32.97 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 11.63 0.00 1.44 4.39 0.02 -1.88 -0.23 113.55 128.92 2jsx h SER 16 Ca -0.43 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 2jsx h SER 16 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2jsx h SER 16 CO 0.96 0.11 -0.33 1.05 -1.14 0.00 0.00 176.83 177.48 2jsx h GLU 17 N 0.00 0.00 -0.37 3.45 4.11 -1.90 -3.17 114.58 116.70 2jsx h GLU 17 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 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 0.01 0.33 0.00 -2.13 0.07 0.00 0.00 179.01 177.30 2jsx n ARG 18 N -3.24 2.34 -0.30 1.06 0.63 -0.21 -4.39 116.66 112.56 2jsx n ARG 18 Ca 0.02 -2.14 0.05 0.00 -0.92 0.00 0.00 57.85 54.85 2jsx n ARG 18 Cb 0.62 -1.44 0.26 0.00 0.45 0.00 0.00 32.46 32.35 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 3.71 1.04 -0.87 5.15 2.04 -1.22 0.68 117.51 128.04 2jsx h ILE 19 Ca 0.00 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.61 2jsx h ILE 19 Cb 0.87 -0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2jsx h ILE 19 CO 0.00 0.18 0.56 0.28 0.00 0.00 0.00 178.15 179.17 2jsx h SER 20 N 0.99 0.79 0.06 1.72 0.02 -1.83 0.34 113.55 115.65 2jsx h SER 20 Ca 0.40 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2jsx h SER 20 Cb 0.26 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2jsx h SER 20 CO -0.16 0.48 -0.03 0.44 -1.14 0.00 0.00 176.83 176.42 2jsx h ASP 21 N 0.88 -0.07 -0.43 3.07 5.19 -1.51 -3.29 116.42 120.26 2jsx h ASP 21 Ca 0.39 -0.32 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2jsx h ASP 21 Cb 0.35 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2jsx h ASP 21 CO -0.16 0.56 0.28 0.40 -3.12 0.00 0.00 179.24 177.20 2jsx h ILE 22 N -0.99 1.09 -0.05 0.35 2.04 -0.65 -1.32 117.51 117.98 2jsx h ILE 22 Ca -0.01 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2jsx h ILE 22 Cb 0.39 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2jsx h ILE 22 CO 0.01 0.10 -0.21 -1.28 0.00 0.00 0.00 178.15 176.78 2jsx h SER 23 N 0.57 0.07 0.26 1.72 0.87 -0.50 0.35 113.55 116.90 2jsx h SER 23 Ca 0.16 -0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.46 2jsx h SER 23 Cb -0.05 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2jsx h SER 23 CO -0.05 0.29 -1.00 0.74 -0.53 0.00 0.00 176.83 176.28 2jsx h THR 24 N 0.07 1.37 -0.15 2.23 2.02 -1.46 -1.81 112.91 115.18 2jsx h THR 24 Ca 0.01 -2.44 -0.08 0.00 0.77 0.00 0.00 66.41 64.67 2jsx h THR 24 Cb 0.42 2.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2jsx h THR 24 CO 0.03 0.73 -0.23 1.56 0.37 0.00 0.00 175.52 177.98 2jsx h GLN 25 N 0.26 0.42 -0.55 6.66 4.20 -0.50 -2.61 115.11 123.01 2jsx h GLN 25 Ca -0.10 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.26 2jsx h GLN 25 Cb 1.65 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.43 2jsx h GLN 25 CO 0.18 0.84 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.06 2jsx h LEU 26 N 0.05 0.97 0.00 1.46 3.38 -0.34 -2.28 115.31 118.55 2jsx h LEU 26 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2jsx h LEU 26 Cb 0.80 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2jsx h LEU 26 CO 0.05 1.06 0.00 -3.20 0.09 0.00 0.00 178.44 176.44 2jsx n ASN 27 N -4.17 0.00 0.08 -0.43 5.15 -0.68 -2.95 115.26 112.27 2jsx n ASN 27 Ca 0.02 -0.58 0.12 0.00 -0.60 0.00 0.00 54.58 53.54 2jsx n ASN 27 Cb 0.37 -0.11 0.08 0.00 -0.53 0.00 0.00 39.78 39.58 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jsx h ALA 28 N 3.59 0.54 -2.50 5.20 0.00 -1.00 -3.45 119.26 121.63 2jsx h ALA 28 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2jsx h ALA 28 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jsx h ALA 28 CO 0.00 0.00 0.32 -0.06 0.00 0.00 0.00 179.25 179.51 2jsx s PHE 29 N -3.26 3.73 0.03 0.00 0.08 -1.15 -5.00 117.98 112.41 2jsx s PHE 29 Ca 0.03 1.77 -0.30 0.00 0.12 0.00 0.00 56.93 58.54 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 0.76 0.26 1.41 -2.14 -0.10 0.00 0.00 175.22 175.41 2jsx s PRO 30 N -1.91 4.29 0.00 0.24 0.02 -1.26 -2.37 135.00 134.01 2jsx s PRO 30 Ca 0.48 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2jsx s PRO 30 Cb -0.20 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.81 2jsx s PRO 30 CO 0.25 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 2jsx n GLY 31 N 3.63 0.74 3.03 0.52 0.00 -1.26 -4.98 105.19 106.87 2jsx n GLY 31 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 0.39 -0.28 0.00 2.12 -0.93 -4.38 118.70 117.08 2jsx s GLU 33 Ca 0.04 -0.24 -0.21 0.00 0.36 0.00 0.00 54.97 54.93 2jsx s GLU 33 Cb -0.13 -0.35 -0.01 0.00 0.26 0.00 0.00 34.13 33.90 2jsx s GLU 33 CO -0.11 0.09 0.65 0.08 -0.54 0.00 0.00 175.26 175.43 2jsx s VAL 34 N -0.27 4.94 -0.17 3.70 1.01 -1.26 -0.24 120.40 128.12 2jsx s VAL 34 Ca 0.00 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 2jsx s VAL 34 Cb -0.03 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.13 2jsx s VAL 34 CO -0.00 -0.08 0.16 0.00 0.00 0.00 0.00 175.10 175.17 2jsx n ALA 35 N 5.85 1.06 -3.72 5.51 0.00 0.36 -4.90 120.51 124.66 2jsx n ALA 35 Ca -0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 53.44 52.47 2jsx n ALA 35 Cb 0.49 -0.48 -0.18 0.00 0.00 0.00 0.00 19.45 19.28 2jsx n ALA 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jsx s VAL 36 N -2.54 0.17 -0.19 0.00 1.01 -1.15 -5.01 120.40 112.68 2jsx s VAL 36 Ca -0.27 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2jsx s VAL 36 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2jsx s VAL 36 CO 0.70 0.22 -0.06 -0.44 0.00 0.00 0.00 175.10 175.52 2jsx s SER 37 N 1.96 4.26 -0.44 3.32 0.01 -1.26 -0.18 113.70 121.38 2jsx s SER 37 Ca 0.04 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.96 2jsx s SER 37 Cb -0.12 -1.71 0.12 0.00 0.21 0.00 0.00 66.02 64.51 2jsx s SER 37 CO -0.04 0.04 0.18 -1.81 0.41 0.00 0.00 173.24 172.01 2jsx s ASP 38 N 1.13 4.72 0.19 2.44 1.01 0.11 -4.97 116.67 121.31 2jsx s ASP 38 Ca 0.01 -2.49 -0.11 0.00 0.71 0.00 0.00 52.55 50.67 2jsx s ASP 38 Cb -0.15 -1.68 0.19 0.00 1.01 0.00 0.00 42.92 42.29 2jsx s ASP 38 CO -0.01 -0.35 1.80 0.00 0.21 0.00 0.00 175.17 176.82 2jsx h ALA 39 N 7.24 0.77 -0.97 5.23 0.00 -1.92 -0.18 119.26 129.44 2jsx h ALA 39 Ca -0.06 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jsx h ALA 39 Cb 0.97 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2jsx h ALA 39 CO 0.62 -0.01 0.63 -1.00 0.00 0.00 0.00 179.25 179.49 2jsx h PRO 40 N 0.61 1.19 0.00 0.00 0.13 -1.93 -2.76 132.00 129.24 2jsx h PRO 40 Ca 0.26 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2jsx h PRO 40 Cb 0.15 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.01 2jsx h PRO 40 CO -0.16 0.79 -0.64 0.77 -0.23 0.00 0.00 178.00 178.53 2jsx h SER 41 N 1.23 0.00 -0.36 1.44 0.02 -1.95 -3.47 113.55 110.46 2jsx h SER 41 Ca 0.38 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.25 2jsx h SER 41 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2jsx h SER 41 CO -0.12 0.00 -0.08 0.61 -1.14 0.00 0.00 176.83 176.10 2jsx n GLY 42 N 1.16 0.42 3.55 -3.77 0.00 -0.20 -4.93 105.19 101.43 2jsx n GLY 42 Ca 0.02 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.31 3.26 -0.19 1.61 -0.21 -0.50 -0.79 119.66 119.53 2jsx s GLN 43 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 2jsx s GLN 43 Cb 0.00 -2.78 0.05 0.00 1.00 0.00 0.00 33.01 31.28 2jsx s GLN 43 CO 0.00 0.45 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.08 2jsx s LEU 44 N -0.21 1.73 -0.30 2.90 1.43 -0.06 0.04 118.68 124.21 2jsx s LEU 44 Ca 0.04 -0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 52.11 2jsx s LEU 44 Cb -0.13 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2jsx s LEU 44 CO 0.02 -0.23 0.65 -0.63 0.23 0.00 0.00 176.35 176.40 2jsx s ILE 45 N 1.63 4.92 -0.13 -0.59 -1.09 0.74 -0.70 121.20 125.99 2jsx s ILE 45 Ca -0.01 0.93 0.02 0.00 -2.23 0.00 0.00 60.65 59.36 2jsx s ILE 45 Cb -0.17 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 2jsx s ILE 45 CO -0.07 -0.14 -0.20 -0.69 -1.23 0.00 0.00 174.94 172.60 2jsx s VAL 46 N 2.65 2.30 -0.34 2.92 1.01 -0.08 -0.49 120.40 128.38 2jsx s VAL 46 Ca 0.26 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2jsx s VAL 46 Cb -0.15 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2jsx s VAL 46 CO 0.12 0.54 0.20 -0.69 0.00 0.00 0.00 175.10 175.27 2jsx s VAL 47 N 0.57 4.80 -0.20 2.92 1.01 0.67 0.51 120.40 130.68 2jsx s VAL 47 Ca -0.12 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2jsx s VAL 47 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2jsx s VAL 47 CO 0.04 -0.07 0.09 -0.69 0.00 0.00 0.00 175.10 174.46 2jsx s VAL 48 N 1.63 4.89 -0.16 2.92 1.01 0.21 -2.18 120.40 128.72 2jsx s VAL 48 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2jsx s VAL 48 Cb -0.18 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2jsx s VAL 48 CO 0.08 0.42 -0.20 -1.83 0.00 0.00 0.00 175.10 173.57 2jsx s GLU 49 N 0.64 2.90 -0.16 2.72 -1.05 0.60 -1.15 118.70 123.21 2jsx s GLU 49 Ca 0.05 -0.80 -0.18 0.00 -0.15 0.00 0.00 54.97 53.88 2jsx s GLU 49 Cb -0.13 -2.44 0.05 0.00 -0.44 0.00 0.00 34.13 31.17 2jsx s GLU 49 CO 0.01 -0.12 0.48 0.00 0.95 0.00 0.00 175.26 176.58 2jsx s ALA 50 N 1.09 -1.20 -0.13 -0.84 0.00 -0.39 -4.61 121.76 115.67 2jsx s ALA 50 Ca -0.01 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 2jsx s ALA 50 Cb -0.14 -0.65 -0.16 0.00 0.00 0.00 0.00 23.12 22.16 2jsx s ALA 50 CO -0.08 -0.24 0.43 1.49 0.00 0.00 0.00 175.76 177.36 2jsx h GLU 51 N 5.05 0.00 -6.96 0.00 4.81 -1.92 0.28 114.58 115.83 2jsx h GLU 51 Ca -0.28 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.48 2jsx h GLU 51 Cb 1.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.56 2jsx h GLU 51 CO 0.23 0.64 0.39 -0.51 -0.73 0.00 0.00 179.01 179.04 2jsx s ASP 52 N -6.06 6.87 0.19 1.04 1.11 -1.26 -4.36 116.67 114.20 2jsx s ASP 52 Ca -0.14 1.97 -0.09 0.00 0.18 0.00 0.00 52.55 54.47 2jsx s ASP 52 Cb -0.01 -2.58 0.09 0.00 1.07 0.00 0.00 42.92 41.50 2jsx s ASP 52 CO 0.44 -0.41 1.69 -1.28 1.18 0.00 0.00 175.17 176.79 2jsx h SER 53 N 2.55 1.04 0.70 0.27 0.87 -2.00 -1.92 113.55 115.05 2jsx h SER 53 Ca -0.48 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 59.71 2jsx h SER 53 Cb 1.21 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2jsx h SER 53 CO 0.63 1.03 -0.55 1.05 -0.53 0.00 0.00 176.83 178.46 2jsx h GLU 54 N 1.01 0.00 -0.34 2.24 4.11 -1.98 -1.08 114.58 118.53 2jsx h GLU 54 Ca 0.20 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.56 2jsx h GLU 54 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2jsx h GLU 54 CO 0.01 0.55 -0.09 1.15 0.07 0.00 0.00 179.01 180.70 2jsx h THR 55 N 0.00 1.23 -0.05 -1.06 2.02 -1.84 0.28 112.91 113.50 2jsx h THR 55 Ca -0.01 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 2jsx h THR 55 Cb 1.05 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2jsx h THR 55 CO 0.07 0.34 -0.00 0.25 0.37 0.00 0.00 175.52 176.55 2jsx h LEU 56 N 0.54 0.08 -0.14 2.58 5.85 -0.70 -2.61 115.31 120.92 2jsx h LEU 56 Ca 0.10 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.53 2jsx h LEU 56 Cb 0.49 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2jsx h LEU 56 CO 0.03 0.40 -0.14 0.40 -0.34 0.00 0.00 178.44 178.79 2jsx h ILE 57 N -0.23 0.62 -0.67 4.05 1.08 -0.67 -0.81 117.51 120.89 2jsx h ILE 57 Ca 0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 2jsx h ILE 57 Cb 0.36 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 2jsx h ILE 57 CO 0.00 0.00 0.44 1.56 -0.69 0.00 0.00 178.15 179.46 2jsx h GLN 58 N -0.16 0.72 -0.09 2.37 1.08 -0.48 0.38 115.11 118.93 2jsx h GLN 58 Ca 0.09 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2jsx h GLN 58 Cb 0.30 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2jsx h GLN 58 CO -0.24 0.48 -0.15 1.15 -0.95 0.00 0.00 178.83 179.12 2jsx h THR 59 N 0.74 1.39 -0.78 -0.54 2.02 -1.02 -1.53 112.91 113.21 2jsx h THR 59 Ca 0.28 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 2jsx h THR 59 Cb 0.16 2.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 2jsx h THR 59 CO -0.08 0.40 0.34 0.40 0.37 0.00 0.00 175.52 176.95 2jsx h ILE 60 N -0.19 1.25 -0.13 3.11 2.04 -0.47 -1.53 117.51 121.58 2jsx h ILE 60 Ca 0.01 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.15 2jsx h ILE 60 Cb 0.73 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2jsx h ILE 60 CO 0.03 0.31 -0.14 -0.08 0.00 0.00 0.00 178.15 178.28 2jsx h GLU 61 N 1.12 -0.16 -0.76 2.37 4.57 -0.23 0.64 114.58 122.12 2jsx h GLU 61 Ca 0.26 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 2jsx h GLU 61 Cb 0.17 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 2jsx h GLU 61 CO -0.03 -0.11 0.47 0.77 -1.18 0.00 0.00 179.01 178.94 2jsx h SER 62 N -0.16 0.74 -0.45 1.04 0.02 -0.78 -1.49 113.55 112.47 2jsx h SER 62 Ca 0.09 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2jsx h SER 62 Cb 0.30 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2jsx h SER 62 CO -0.23 0.49 0.28 0.58 -1.14 0.00 0.00 176.83 176.81 2jsx h VAL 63 N 0.88 1.14 0.00 2.27 2.07 -0.69 -2.28 116.25 119.64 2jsx h VAL 63 Ca 0.32 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2jsx h VAL 63 Cb 0.11 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2jsx h VAL 63 CO -0.15 0.14 0.00 0.54 0.02 0.00 0.00 177.57 178.12 2jsx n ARG 64 N -4.73 0.03 0.00 1.57 1.74 0.16 -1.89 116.66 113.54 2jsx n ARG 64 Ca 0.01 0.16 0.14 0.00 -0.77 0.00 0.00 57.85 57.39 2jsx n ARG 64 Cb 0.05 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.48 0.73 -4.64 0.55 3.02 -0.63 -4.75 115.26 108.06 2jsx n ASN 65 Ca 0.05 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.43 2jsx n ASN 65 Cb 0.22 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 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 -2.44 4.90 -0.57 2.41 1.01 -0.79 -4.98 120.40 119.93 2jsx s VAL 66 Ca 0.28 1.40 -0.27 0.00 0.00 0.00 0.00 61.98 63.39 2jsx s VAL 66 Cb 0.20 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2jsx s VAL 66 CO 0.48 -0.02 1.10 -1.61 0.00 0.00 0.00 175.10 175.05 2jsx s GLU 67 N 2.65 3.44 0.00 2.72 2.02 -1.26 -3.04 118.70 125.23 2jsx s GLU 67 Ca 0.32 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.35 2jsx s GLU 67 Cb -0.15 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.04 2jsx s GLU 67 CO 0.08 -1.62 0.00 0.41 0.02 0.00 0.00 175.26 174.15 2jsx n GLY 68 N 5.09 0.03 3.67 -1.39 0.00 -1.26 -5.02 105.19 106.30 2jsx n GLY 68 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 4.76 -0.14 1.61 1.01 -1.17 -1.30 120.40 125.17 2jsx s VAL 69 Ca 0.00 1.93 -0.19 0.00 0.00 0.00 0.00 61.98 63.72 2jsx s VAL 69 Cb 0.00 -4.27 -0.17 0.00 0.00 0.00 0.00 36.38 31.94 2jsx s VAL 69 CO 0.00 -0.07 0.45 -0.07 0.00 0.00 0.00 175.10 175.40 2jsx h LEU 70 N 8.74 0.00 -7.13 3.92 3.38 -0.55 -3.47 115.31 120.21 2jsx h LEU 70 Ca -0.25 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.02 2jsx h LEU 70 Cb 1.10 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.60 2jsx h LEU 70 CO 0.90 0.92 -0.29 0.00 0.09 0.00 0.00 178.44 180.07 2jsx s ALA 71 N -2.35 -1.28 -0.35 1.53 0.00 -0.84 -5.02 121.76 113.44 2jsx s ALA 71 Ca -0.15 1.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 2jsx s ALA 71 Cb -0.01 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.90 2jsx s ALA 71 CO 0.47 -0.59 0.13 0.54 0.00 0.00 0.00 175.76 176.32 2jsx s VAL 72 N 2.18 3.89 -0.23 0.00 0.11 -1.26 -0.39 120.40 124.69 2jsx s VAL 72 Ca -0.05 -1.16 -0.20 0.00 -2.93 0.00 0.00 61.98 57.64 2jsx s VAL 72 Cb -0.10 -3.23 -0.02 0.00 -1.53 0.00 0.00 36.38 31.50 2jsx s VAL 72 CO -0.14 -0.23 0.58 -0.44 -3.33 0.00 0.00 175.10 171.54 2jsx s SER 73 N 1.50 6.57 -0.33 3.54 0.01 0.01 -4.93 113.70 120.07 2jsx s SER 73 Ca -0.01 0.69 -0.26 0.00 1.31 0.00 0.00 55.95 57.68 2jsx s SER 73 Cb -0.20 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.72 2jsx s SER 73 CO 0.03 -0.29 0.94 -0.22 0.41 0.00 0.00 173.24 174.10 2jsx s LEU 74 N 2.17 4.00 -0.80 2.44 0.20 -1.26 -0.99 118.68 124.44 2jsx s LEU 74 Ca 0.25 0.76 -0.07 0.00 0.69 0.00 0.00 54.13 55.76 2jsx s LEU 74 Cb -0.16 -3.30 0.20 0.00 -0.43 0.00 0.00 46.19 42.51 2jsx s LEU 74 CO 0.09 -0.80 0.68 -0.69 -0.29 0.00 0.00 176.35 175.35 2jsx s VAL 75 N 3.39 4.68 -0.09 1.68 1.01 0.12 -4.81 120.40 126.38 2jsx s VAL 75 Ca 0.39 -3.06 0.14 0.00 0.00 0.00 0.00 61.98 59.45 2jsx s VAL 75 Cb -0.13 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2jsx s VAL 75 CO 0.16 -1.00 1.10 0.22 0.00 0.00 0.00 175.10 175.57 2jsx h TYR 76 N 7.00 0.00 -2.67 5.22 5.03 -1.92 0.69 116.97 130.32 2jsx h TYR 76 Ca 0.08 0.00 -0.65 0.00 2.58 0.00 0.00 58.73 60.74 2jsx h TYR 76 Cb 0.94 0.00 -0.16 0.00 1.55 0.00 0.00 36.73 39.06 2jsx h TYR 76 CO 0.82 0.67 0.50 -1.01 -1.32 0.00 0.00 178.16 177.81 2jsx s HIS 77 N -2.87 2.80 -0.12 -3.82 3.76 -1.26 -4.90 115.29 108.88 2jsx s HIS 77 Ca -0.00 -0.75 0.02 0.00 -0.15 0.00 0.00 55.06 54.18 2jsx s HIS 77 Cb 0.08 -4.24 0.01 0.00 1.11 0.00 0.00 32.58 29.55 2jsx s HIS 77 CO 0.79 -1.56 -0.18 -1.14 -0.85 0.00 0.00 174.74 171.81 2jsx s GLN 78 N 3.59 2.52 -0.21 1.40 2.00 -1.26 -4.91 119.66 122.79 2jsx s GLN 78 Ca 0.21 -0.67 -0.00 0.00 -2.00 0.00 0.00 55.36 52.91 2jsx s GLN 78 Cb -0.17 -2.11 0.00 0.00 0.80 0.00 0.00 33.01 31.53 2jsx s GLN 78 CO 0.07 -0.07 0.00 0.94 -0.50 0.00 0.00 175.29 175.73 2jsx n GLN 79 N 4.22 -2.46 0.00 1.67 7.27 -1.26 -5.02 117.38 121.80 2jsx n GLN 79 Ca -0.19 2.11 0.00 0.00 0.07 0.00 0.00 57.00 58.99 2jsx n GLN 79 Cb 0.51 -4.05 0.00 0.00 2.41 0.00 0.00 30.24 29.11 2jsx n GLN 79 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2jsx n GLU 80 N 0.51 0.36 -0.18 3.69 0.28 -1.26 -4.95 120.64 119.10 2jsx n GLU 80 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 2jsx n GLU 80 Cb 0.01 -0.04 0.18 0.00 1.43 0.00 0.00 31.44 33.02 2jsx n GLU 80 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2jsx h GLU 81 N 0.00 0.93 -5.17 3.44 4.39 -1.98 -3.43 114.58 112.76 2jsx h GLU 81 Ca 0.00 -0.16 -0.63 0.00 0.34 0.00 0.00 59.36 58.91 2jsx h GLU 81 Cb 0.00 -0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 28.36 2jsx h GLU 81 CO 0.00 0.77 -0.52 -0.65 -1.16 0.00 0.00 179.01 177.45 2jsx s GLN 82 N -5.40 2.07 -0.40 2.33 -0.21 -1.26 -5.09 119.66 111.71 2jsx s GLN 82 Ca -0.10 -2.29 0.09 0.00 0.02 0.00 0.00 55.36 53.07 2jsx s GLN 82 Cb 0.16 -1.19 0.28 0.00 1.00 0.00 0.00 33.01 33.26 2jsx s GLN 82 CO 0.80 -0.38 0.67 0.41 -2.12 0.00 0.00 175.29 174.67 2jsx n GLY 83 N -1.11 2.51 7.00 3.09 0.00 -1.26 -5.04 105.19 110.38 2jsx n GLY 83 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2jsx n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jsx n GLU 84 N 1.07 0.00 -1.16 1.61 4.71 -1.26 -4.64 120.64 120.97 2jsx n GLU 84 Ca 0.19 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 57.03 2jsx n GLU 84 Cb 0.59 0.00 0.11 0.00 -1.01 0.00 0.00 31.44 31.13 2jsx n GLU 84 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2jsx s GLU 85 N 0.00 1.94 -0.09 3.49 8.01 -1.26 -5.04 118.70 125.75 2jsx s GLU 85 Ca 0.00 1.34 -0.03 0.00 0.01 0.00 0.00 54.97 56.29 2jsx s GLU 85 Cb 0.00 -1.85 0.04 0.00 -4.31 0.00 0.00 34.13 28.02 2jsx s GLU 85 CO 0.00 -1.91 0.10 0.99 0.01 0.00 0.00 175.26 174.45 2jsx s THR 86 N -2.71 -0.15 1.10 3.63 2.01 -1.26 -5.14 115.64 113.12 2jsx s THR 86 Ca 0.64 0.25 -0.14 0.00 0.31 0.00 0.00 61.69 62.75 2jsx s THR 86 Cb -0.20 -0.31 0.24 0.00 0.01 0.00 0.00 72.50 72.25 2jsx s THR 86 CO 0.54 0.04 1.07 -2.16 -0.69 0.00 0.00 174.62 173.43 2jsx s PRO 87 N 2.20 -0.42 0.00 4.92 0.04 -1.26 -4.91 135.00 135.57 2jsx s PRO 87 Ca 0.04 0.43 0.12 0.00 0.04 0.00 0.00 61.00 61.62 2jsx s PRO 87 Cb -0.13 -1.65 0.54 0.00 0.04 0.00 0.00 34.50 33.30 2jsx s PRO 87 CO -0.05 -3.28 1.37 0.54 0.04 0.00 0.00 177.00 175.62 2jsx n ARG 88 N -4.54 1.28 -3.71 4.56 1.74 -1.26 -4.59 116.66 110.14 2jsx n ARG 88 Ca 0.06 -0.43 -0.20 0.00 -0.77 0.00 0.00 57.85 56.51 2jsx n ARG 88 Cb 0.57 -1.21 -0.18 0.00 -1.02 0.00 0.00 32.46 30.62 2jsx n ARG 88 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jsx s SER 89 N -1.29 1.01 0.22 0.55 0.15 -1.26 -5.01 113.70 108.07 2jsx s SER 89 Ca 0.19 0.05 0.16 0.00 0.70 0.00 0.00 55.95 57.04 2jsx s SER 89 Cb 0.09 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2jsx s SER 89 CO 0.14 -0.22 1.26 1.12 1.20 0.00 0.00 173.24 176.74 2jsx h HIS 90 N 8.19 0.00 -2.44 3.44 2.07 -2.01 -3.50 115.15 120.90 2jsx h HIS 90 Ca -0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 2jsx h HIS 90 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2jsx h HIS 90 CO 0.49 0.50 -0.31 0.72 -3.07 0.00 0.00 177.93 176.26 2jsx n HIS 91 N -3.11 -1.55 -0.01 6.12 8.25 -1.26 -4.97 115.22 118.69 2jsx n HIS 91 Ca -0.01 0.93 -0.03 0.00 -0.26 0.00 0.00 57.72 58.34 2jsx n HIS 91 Cb 0.76 -2.56 -0.12 0.00 1.12 0.00 0.00 29.99 29.19 2jsx n HIS 91 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jsx n HIS 92 N 0.59 0.76 -3.76 4.41 8.25 -1.26 -4.75 115.22 119.46 2jsx n HIS 92 Ca 0.00 0.26 -0.37 0.00 -0.26 0.00 0.00 57.72 57.35 2jsx n HIS 92 Cb 0.00 -1.06 -0.12 0.00 1.12 0.00 0.00 29.99 29.93 2jsx n HIS 92 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jsx s HIS 93 N -2.80 3.37 -0.56 4.41 3.76 -1.26 -4.92 115.29 117.29 2jsx s HIS 93 Ca -0.05 -1.83 0.24 0.00 -0.15 0.00 0.00 55.06 53.27 2jsx s HIS 93 Cb 0.08 -2.68 0.49 0.00 1.11 0.00 0.00 32.58 31.58 2jsx s HIS 93 CO 0.82 -0.85 1.59 0.45 -0.85 0.00 0.00 174.74 175.91 2jsx h HIS 94 N 8.17 0.00 0.00 1.40 -0.00 -1.97 -3.53 115.15 119.22 2jsx h HIS 94 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 2jsx h HIS 94 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2jsx h HIS 94 CO 0.59 0.00 0.00 0.72 -0.00 0.00 0.00 177.93 179.24