#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 2.62 -0.58 2.03 4.02 -1.26 -4.84 115.29 117.27 2jsx s HIS 2 Ca 0.00 -0.27 0.24 0.00 1.02 0.00 0.00 55.06 56.04 2jsx s HIS 2 Cb 0.00 -4.32 0.24 0.00 -1.02 0.00 0.00 32.58 27.48 2jsx s HIS 2 CO 0.00 -1.66 1.22 1.79 1.02 0.00 0.00 174.74 177.11 2jsx h THR 3 N 6.00 0.00 -2.79 1.30 1.35 -2.04 -3.44 112.91 113.29 2jsx h THR 3 Ca -0.28 -0.55 -0.55 0.00 -0.55 0.00 0.00 66.41 64.49 2jsx h THR 3 Cb 1.07 1.06 -0.07 0.00 -1.73 0.00 0.00 68.15 68.47 2jsx h THR 3 CO 1.18 0.00 1.04 0.20 -0.25 0.00 0.00 175.52 177.69 2jsx s ASN 4 N -4.31 6.26 0.71 5.36 0.02 -1.26 -4.98 114.94 116.74 2jsx s ASN 4 Ca 0.05 -0.07 -0.01 0.00 -1.02 0.00 0.00 52.86 51.81 2jsx s ASN 4 Cb 0.13 -2.55 0.12 0.00 0.02 0.00 0.00 41.25 38.97 2jsx s ASN 4 CO 0.75 -1.68 0.98 -1.66 0.02 0.00 0.00 177.10 175.51 2jsx s TRP 5 N 5.54 1.66 0.12 2.20 1.48 -1.26 -4.94 118.94 123.73 2jsx s TRP 5 Ca 0.42 -0.26 0.03 0.00 -1.06 0.00 0.00 56.10 55.23 2jsx s TRP 5 Cb -0.08 -2.97 -0.04 0.00 -1.16 0.00 0.00 33.47 29.22 2jsx s TRP 5 CO 0.21 -1.66 -0.09 1.14 -4.06 0.00 0.00 176.95 172.50 2jsx s GLN 6 N -5.12 0.93 0.10 3.25 1.03 -1.06 -5.01 119.66 113.79 2jsx s GLN 6 Ca 0.66 -1.35 0.09 0.00 0.04 0.00 0.00 55.36 54.80 2jsx s GLN 6 Cb -0.06 -0.44 -0.04 0.00 0.03 0.00 0.00 33.01 32.51 2jsx s GLN 6 CO 0.44 0.04 -0.24 0.14 -2.54 0.00 0.00 175.29 173.13 2jsx s VAL 7 N -3.30 2.00 0.05 3.63 -7.23 -1.26 -1.64 120.40 112.64 2jsx s VAL 7 Ca 0.13 -1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 58.64 2jsx s VAL 7 Cb 0.03 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 2jsx s VAL 7 CO -0.02 0.08 0.12 0.00 -0.31 0.00 0.00 175.10 174.96 2jsx s SER 9 N -2.31 3.63 -0.18 0.00 0.15 -0.58 -1.11 113.70 113.30 2jsx s SER 9 Ca -0.02 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 2jsx s SER 9 Cb 0.01 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2jsx s SER 9 CO -0.06 0.33 -0.13 -0.76 1.20 0.00 0.00 173.24 173.82 2jsx s LEU 10 N -0.66 2.50 -0.51 3.45 1.43 0.12 0.09 118.68 125.10 2jsx s LEU 10 Ca 0.10 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 2jsx s LEU 10 Cb -0.10 -1.59 0.10 0.00 0.03 0.00 0.00 46.19 44.63 2jsx s LEU 10 CO 0.00 0.03 0.46 -0.69 0.23 0.00 0.00 176.35 176.38 2jsx s VAL 11 N 1.17 5.21 -0.32 -1.59 1.01 0.17 -1.02 120.40 125.03 2jsx s VAL 11 Ca 0.02 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 2jsx s VAL 11 Cb -0.14 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2jsx s VAL 11 CO -0.05 -0.75 0.24 -0.69 0.00 0.00 0.00 175.10 173.85 2jsx s VAL 12 N 1.65 5.28 -0.32 2.92 1.01 0.28 -0.42 120.40 130.79 2jsx s VAL 12 Ca 0.04 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 2jsx s VAL 12 Cb -0.27 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2jsx s VAL 12 CO 0.05 0.05 0.80 -1.10 0.00 0.00 0.00 175.10 174.90 2jsx s GLN 13 N 1.77 3.92 0.34 2.72 1.11 0.72 -0.97 119.66 129.28 2jsx s GLN 13 Ca 0.07 0.55 0.03 0.00 0.01 0.00 0.00 55.36 56.03 2jsx s GLN 13 Cb -0.17 -3.75 -0.05 0.00 -1.01 0.00 0.00 33.01 28.04 2jsx s GLN 13 CO 0.11 -0.73 0.10 0.00 0.01 0.00 0.00 175.29 174.77 2jsx s ALA 14 N 3.03 2.37 -0.15 6.09 0.00 0.54 0.12 121.76 133.77 2jsx s ALA 14 Ca 0.33 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.26 2jsx s ALA 14 Cb -0.14 0.81 -0.07 0.00 0.00 0.00 0.00 23.12 23.73 2jsx s ALA 14 CO 0.14 -0.37 2.14 1.63 0.00 0.00 0.00 175.76 179.30 2jsx n LYS 15 N -0.70 2.18 0.02 0.00 4.01 -0.01 -4.63 118.16 119.03 2jsx n LYS 15 Ca -0.03 0.68 0.08 0.00 -0.51 0.00 0.00 58.31 58.53 2jsx n LYS 15 Cb 0.66 -3.12 0.50 0.00 -0.51 0.00 0.00 35.03 32.56 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 13.51 0.33 0.05 4.39 0.02 -1.85 0.54 113.55 130.54 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 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2jsx h SER 16 CO 0.96 0.23 -0.03 -1.84 -1.14 0.00 0.00 176.83 175.00 2jsx n GLU 17 N -4.48 1.32 -0.06 3.45 0.28 -1.26 -3.61 120.64 116.28 2jsx n GLU 17 Ca 0.04 -0.60 0.04 0.00 -0.16 0.00 0.00 57.16 56.48 2jsx n GLU 17 Cb 0.18 -1.49 0.05 0.00 1.43 0.00 0.00 31.44 31.61 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 -0.31 1.85 -0.20 3.44 0.63 0.14 -4.82 116.66 117.39 2jsx n ARG 18 Ca 0.19 -1.75 -0.01 0.00 -0.92 0.00 0.00 57.85 55.37 2jsx n ARG 18 Cb 0.28 -1.09 0.10 0.00 0.45 0.00 0.00 32.46 32.20 2jsx n ARG 18 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2jsx h ILE 19 N 0.84 0.79 -0.07 5.15 1.08 -1.50 -1.43 117.51 122.37 2jsx h ILE 19 Ca 0.00 -0.14 -0.12 0.00 -0.39 0.00 0.00 64.86 64.21 2jsx h ILE 19 Cb 0.80 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2jsx h ILE 19 CO 0.00 0.08 -0.51 0.28 -0.69 0.00 0.00 178.15 177.31 2jsx h SER 20 N 0.42 0.19 -0.30 1.72 0.02 -1.89 0.29 113.55 114.00 2jsx h SER 20 Ca 0.30 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2jsx h SER 20 Cb 0.35 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2jsx h SER 20 CO -0.29 0.67 0.01 -0.78 -1.14 0.00 0.00 176.83 175.30 2jsx h ASP 21 N 0.14 0.51 -0.14 3.07 3.58 -1.71 -1.99 116.42 119.88 2jsx h ASP 21 Ca 0.00 -0.30 -0.16 0.00 0.42 0.00 0.00 57.03 56.99 2jsx h ASP 21 Cb 0.95 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2jsx h ASP 21 CO 0.08 0.68 -0.49 0.40 -2.88 0.00 0.00 179.24 177.03 2jsx h ILE 22 N 0.31 1.30 -0.60 2.25 2.04 -1.08 -2.88 117.51 118.85 2jsx h ILE 22 Ca 0.09 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2jsx h ILE 22 Cb 0.42 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2jsx h ILE 22 CO 0.01 0.54 0.39 -1.28 0.00 0.00 0.00 178.15 177.81 2jsx h SER 23 N 0.56 0.70 0.11 1.72 0.87 -0.26 0.24 113.55 117.49 2jsx h SER 23 Ca 0.03 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 2jsx h SER 23 Cb 1.05 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2jsx h SER 23 CO 0.10 0.52 -0.60 0.74 -0.53 0.00 0.00 176.83 177.05 2jsx h THR 24 N 0.82 1.34 -0.11 2.23 2.02 -1.23 -1.30 112.91 116.68 2jsx h THR 24 Ca 0.22 -1.90 -0.03 0.00 0.77 0.00 0.00 66.41 65.47 2jsx h THR 24 Cb -0.08 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2jsx h THR 24 CO -0.05 0.58 -0.06 1.56 0.37 0.00 0.00 175.52 177.93 2jsx h GLN 25 N 0.37 0.23 -0.25 6.66 4.20 -1.11 -2.91 115.11 122.29 2jsx h GLN 25 Ca -0.00 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2jsx h GLN 25 Cb 1.15 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 2jsx h GLN 25 CO 0.11 0.59 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.58 2jsx h LEU 26 N -0.13 0.45 0.00 1.46 3.38 -0.41 -2.25 115.31 117.81 2jsx h LEU 26 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jsx h LEU 26 Cb 0.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jsx h LEU 26 CO 0.02 0.67 0.00 0.59 0.09 0.00 0.00 178.44 179.81 2jsx n ASN 27 N -4.15 0.00 -1.04 -0.43 3.02 -0.50 -3.21 115.26 108.95 2jsx n ASN 27 Ca -0.00 -0.19 0.12 0.00 -0.03 0.00 0.00 54.58 54.47 2jsx n ASN 27 Cb 0.37 -0.25 0.15 0.00 -0.61 0.00 0.00 39.78 39.45 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jsx n ALA 28 N -1.25 2.44 -2.34 5.41 0.00 -0.84 -4.86 120.51 119.07 2jsx n ALA 28 Ca 0.14 -0.84 -0.33 0.00 0.00 0.00 0.00 53.44 52.41 2jsx n ALA 28 Cb 0.20 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.71 3.44 -0.75 0.00 0.08 -1.20 -5.00 117.98 112.85 2jsx s PHE 29 Ca 0.33 0.99 -0.26 0.00 0.12 0.00 0.00 56.93 58.10 2jsx s PHE 29 Cb 0.21 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2jsx s PHE 29 CO 0.30 0.25 1.43 -1.25 -0.10 0.00 0.00 175.22 175.85 2jsx s PRO 30 N -2.72 3.10 0.00 0.24 0.04 -1.26 -2.49 135.00 131.91 2jsx s PRO 30 Ca 0.48 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2jsx s PRO 30 Cb -0.12 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2jsx s PRO 30 CO 0.20 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.35 2jsx n GLY 31 N 5.62 0.82 3.27 0.56 0.00 -1.26 -5.06 105.19 109.14 2jsx n GLY 31 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 0.75 0.63 0.42 0.00 2.12 -1.16 -4.25 118.70 117.21 2jsx s GLU 33 Ca -0.06 0.84 -0.24 0.00 0.36 0.00 0.00 54.97 55.87 2jsx s GLU 33 Cb -0.15 0.25 -0.08 0.00 0.26 0.00 0.00 34.13 34.40 2jsx s GLU 33 CO 0.01 -0.10 1.13 0.08 -0.54 0.00 0.00 175.26 175.84 2jsx s VAL 34 N 0.62 3.30 0.02 3.70 1.01 -1.26 -1.43 120.40 126.36 2jsx s VAL 34 Ca -0.03 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2jsx s VAL 34 Cb -0.05 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2jsx s VAL 34 CO -0.04 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.09 2jsx n ALA 35 N -0.20 3.00 -2.80 5.51 0.00 0.87 -4.86 120.51 122.03 2jsx n ALA 35 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 2jsx n ALA 35 Cb 0.48 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.20 5.36 0.00 0.00 1.01 -1.19 -4.97 120.40 119.42 2jsx s VAL 36 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2jsx s VAL 36 Cb 0.00 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 2jsx s VAL 36 CO 0.00 0.45 -0.01 -0.44 0.00 0.00 0.00 175.10 175.10 2jsx s SER 37 N -1.49 0.09 -0.35 3.32 0.01 -1.26 -0.55 113.70 113.48 2jsx s SER 37 Ca 0.23 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.44 2jsx s SER 37 Cb -0.13 -0.00 0.13 0.00 0.21 0.00 0.00 66.02 66.23 2jsx s SER 37 CO 0.13 -0.01 0.20 -1.81 0.41 0.00 0.00 173.24 172.15 2jsx s ASP 38 N -0.12 3.09 0.26 2.44 1.01 0.56 -5.01 116.67 118.90 2jsx s ASP 38 Ca -0.01 -2.08 -0.02 0.00 0.71 0.00 0.00 52.55 51.15 2jsx s ASP 38 Cb -0.01 -0.43 0.48 0.00 1.01 0.00 0.00 42.92 43.97 2jsx s ASP 38 CO -0.00 -0.33 1.79 0.00 0.21 0.00 0.00 175.17 176.84 2jsx h ALA 39 N 7.20 1.26 -0.72 5.23 0.00 -1.90 0.24 119.26 130.57 2jsx h ALA 39 Ca 0.02 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.10 2jsx h ALA 39 Cb 0.97 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2jsx h ALA 39 CO 0.30 0.03 0.31 -1.00 0.00 0.00 0.00 179.25 178.88 2jsx h PRO 40 N 0.74 0.48 0.00 0.00 0.13 -1.95 -2.40 132.00 129.00 2jsx h PRO 40 Ca 0.44 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.43 2jsx h PRO 40 Cb 0.51 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 2jsx h PRO 40 CO -0.30 0.32 -1.20 1.03 -0.23 0.00 0.00 178.00 177.62 2jsx h SER 41 N 0.49 0.00 0.00 1.44 0.87 -1.92 -3.48 113.55 110.96 2jsx h SER 41 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2jsx h SER 41 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2jsx h SER 41 CO -0.34 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 2jsx n GLY 42 N 1.31 0.71 3.81 5.77 0.00 0.64 -4.83 105.19 112.61 2jsx n GLY 42 Ca -0.06 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 2jsx n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsx s GLN 43 N -2.48 3.81 -0.10 1.61 0.74 -0.09 -0.34 119.66 122.83 2jsx s GLN 43 Ca 0.00 -0.16 -0.00 0.00 0.05 0.00 0.00 55.36 55.25 2jsx s GLN 43 Cb 0.00 -3.30 0.02 0.00 1.10 0.00 0.00 33.01 30.83 2jsx s GLN 43 CO 0.00 0.54 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.71 2jsx s LEU 44 N -0.35 1.12 -0.30 3.68 1.43 -0.14 -0.33 118.68 123.79 2jsx s LEU 44 Ca 0.12 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2jsx s LEU 44 Cb -0.12 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 2jsx s LEU 44 CO 0.01 -0.12 0.24 -0.63 0.23 0.00 0.00 176.35 176.09 2jsx s ILE 45 N 1.62 5.28 -0.11 -0.59 -1.09 0.29 -0.56 121.20 126.04 2jsx s ILE 45 Ca 0.02 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 2jsx s ILE 45 Cb -0.13 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 2jsx s ILE 45 CO -0.06 0.14 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.91 2jsx s VAL 46 N 1.81 2.56 -0.23 2.92 1.01 -0.19 -0.09 120.40 128.19 2jsx s VAL 46 Ca 0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2jsx s VAL 46 Cb -0.16 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2jsx s VAL 46 CO 0.11 0.55 0.05 -0.69 0.00 0.00 0.00 175.10 175.12 2jsx s VAL 47 N 0.24 4.27 -0.22 2.92 1.01 -0.51 0.14 120.40 128.25 2jsx s VAL 47 Ca -0.12 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2jsx s VAL 47 Cb -0.16 -2.97 0.05 0.00 0.00 0.00 0.00 36.38 33.30 2jsx s VAL 47 CO 0.07 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.78 2jsx s VAL 48 N 1.33 1.57 -0.15 2.92 1.01 -0.26 -2.99 120.40 123.83 2jsx s VAL 48 Ca 0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 2jsx s VAL 48 Cb -0.15 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2jsx s VAL 48 CO 0.03 -0.01 -0.03 -1.83 0.00 0.00 0.00 175.10 173.26 2jsx s GLU 49 N 1.39 3.65 0.03 2.72 1.03 -1.22 -1.19 118.70 125.12 2jsx s GLU 49 Ca -0.04 -0.50 0.04 0.00 0.03 0.00 0.00 54.97 54.50 2jsx s GLU 49 Cb -0.18 -2.93 -0.02 0.00 -0.80 0.00 0.00 34.13 30.21 2jsx s GLU 49 CO -0.07 0.27 -0.13 0.00 -1.33 0.00 0.00 175.26 174.01 2jsx s ALA 50 N 0.28 1.03 0.12 -0.84 0.00 -0.65 -4.85 121.76 116.85 2jsx s ALA 50 Ca -0.03 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 2jsx s ALA 50 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2jsx s ALA 50 CO 0.03 0.19 1.71 1.49 0.00 0.00 0.00 175.76 179.17 2jsx h GLU 51 N 5.08 -0.01 -6.69 0.00 4.57 -1.95 -2.81 114.58 112.77 2jsx h GLU 51 Ca -0.36 0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.12 2jsx h GLU 51 Cb 1.18 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 29.50 2jsx h GLU 51 CO 0.45 -0.00 -0.88 0.34 -1.18 0.00 0.00 179.01 177.73 2jsx s ASP 52 N -5.20 3.12 0.23 1.04 2.15 -1.26 -4.36 116.67 112.39 2jsx s ASP 52 Ca -0.13 -0.56 0.05 0.00 0.43 0.00 0.00 52.55 52.34 2jsx s ASP 52 Cb 0.10 -0.30 0.23 0.00 -0.30 0.00 0.00 42.92 42.65 2jsx s ASP 52 CO 0.68 0.27 1.54 0.28 -0.17 0.00 0.00 175.17 177.77 2jsx h SER 53 N 4.94 0.21 0.49 -0.34 0.02 -1.97 -1.93 113.55 114.97 2jsx h SER 53 Ca -0.46 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.21 2jsx h SER 53 Cb 1.14 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2jsx h SER 53 CO 0.44 0.80 -0.70 -0.08 -1.14 0.00 0.00 176.83 176.15 2jsx h GLU 54 N 0.13 0.18 -0.67 3.45 4.81 -1.98 -1.51 114.58 118.99 2jsx h GLU 54 Ca -0.01 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 2jsx h GLU 54 Cb 1.16 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2jsx h GLU 54 CO 0.10 0.80 0.20 1.15 -0.73 0.00 0.00 179.01 180.53 2jsx h THR 55 N 0.12 1.25 -0.06 0.32 2.02 -1.95 -2.42 112.91 112.18 2jsx h THR 55 Ca -0.02 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.31 2jsx h THR 55 Cb 1.24 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2jsx h THR 55 CO 0.10 0.34 -0.02 0.25 0.37 0.00 0.00 175.52 176.56 2jsx h LEU 56 N 0.99 -0.08 -0.10 2.58 5.85 -0.64 -1.37 115.31 122.54 2jsx h LEU 56 Ca 0.22 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2jsx h LEU 56 Cb 0.30 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2jsx h LEU 56 CO -0.01 -0.03 -0.07 0.40 -0.34 0.00 0.00 178.44 178.39 2jsx h ILE 57 N -0.01 0.78 -0.70 4.05 2.04 -1.08 0.15 117.51 122.74 2jsx h ILE 57 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2jsx h ILE 57 Cb 0.06 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2jsx h ILE 57 CO -0.07 0.00 0.46 1.56 0.00 0.00 0.00 178.15 180.10 2jsx h GLN 58 N -0.08 0.90 -0.15 2.37 4.20 -1.30 0.36 115.11 121.41 2jsx h GLN 58 Ca 0.06 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2jsx h GLN 58 Cb 0.18 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2jsx h GLN 58 CO -0.15 0.59 -0.22 1.15 -0.67 0.00 0.00 178.83 179.53 2jsx h THR 59 N 0.92 1.36 -0.33 -0.54 2.02 -0.51 -2.09 112.91 113.74 2jsx h THR 59 Ca 0.26 -1.44 -0.08 0.00 0.77 0.00 0.00 66.41 65.92 2jsx h THR 59 Cb -0.07 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2jsx h THR 59 CO -0.06 0.43 -0.13 0.40 0.37 0.00 0.00 175.52 176.52 2jsx h ILE 60 N 0.03 1.24 -0.73 3.11 2.04 -0.16 -2.00 117.51 121.05 2jsx h ILE 60 Ca 0.01 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 2jsx h ILE 60 Cb 0.79 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2jsx h ILE 60 CO 0.05 0.36 0.22 -0.08 0.00 0.00 0.00 178.15 178.70 2jsx h GLU 61 N 0.52 1.13 -0.92 2.37 4.57 -0.23 0.69 114.58 122.71 2jsx h GLU 61 Ca 0.09 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2jsx h GLU 61 Cb 0.54 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 2jsx h GLU 61 CO 0.03 0.96 0.61 0.77 -1.18 0.00 0.00 179.01 180.21 2jsx h SER 62 N 1.08 1.06 -0.70 1.04 0.02 -0.82 -1.06 113.55 114.17 2jsx h SER 62 Ca 0.23 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2jsx h SER 62 Cb 0.31 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2jsx h SER 62 CO -0.01 0.76 0.31 0.58 -1.14 0.00 0.00 176.83 177.33 2jsx h VAL 63 N 1.25 1.24 0.00 2.27 2.07 -0.64 -2.17 116.25 120.27 2jsx h VAL 63 Ca 0.34 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2jsx h VAL 63 Cb -0.14 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2jsx h VAL 63 CO -0.08 0.29 0.00 0.54 0.02 0.00 0.00 177.57 178.35 2jsx n ARG 64 N -4.40 0.06 0.00 1.57 1.74 0.16 -1.80 116.66 114.00 2jsx n ARG 64 Ca 0.06 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.48 2jsx n ARG 64 Cb 0.16 -1.60 0.35 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.72 1.74 -4.67 0.55 3.02 -0.48 -4.82 115.26 108.88 2jsx n ASN 65 Ca 0.04 -1.45 -0.43 0.00 -0.03 0.00 0.00 54.58 52.72 2jsx n ASN 65 Cb 0.25 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 -2.18 4.00 -1.37 2.41 1.01 -0.74 -4.91 120.40 118.63 2jsx s VAL 66 Ca 0.31 1.26 -0.10 0.00 0.00 0.00 0.00 61.98 63.45 2jsx s VAL 66 Cb 0.20 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.87 2jsx s VAL 66 CO 0.40 -0.08 2.19 -0.62 0.00 0.00 0.00 175.10 176.99 2jsx n GLU 67 N 6.40 3.66 -0.22 2.72 1.02 -1.26 -3.05 120.64 129.91 2jsx n GLU 67 Ca 0.14 -3.14 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 2jsx n GLU 67 Cb 0.44 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.93 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 2.97 0.76 3.82 0.62 0.00 -1.26 -5.10 105.19 107.00 2jsx n GLY 68 Ca 0.52 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 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 4.92 -0.18 1.61 1.01 -1.17 -0.83 120.40 125.77 2jsx s VAL 69 Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2jsx s VAL 69 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 2jsx s VAL 69 CO 0.00 0.31 -0.33 0.18 0.00 0.00 0.00 175.10 175.26 2jsx n LEU 70 N 1.00 1.89 -3.74 3.92 4.77 0.12 -4.86 117.00 120.10 2jsx n LEU 70 Ca -0.12 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 2jsx n LEU 70 Cb 0.52 -0.72 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 2jsx n LEU 70 CO 0.41 -0.20 -0.08 0.00 -1.33 0.00 0.00 177.39 176.19 2jsx s ALA 71 N -2.81 -0.66 -0.36 -1.18 0.00 -0.79 -5.01 121.76 110.95 2jsx s ALA 71 Ca -0.28 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.59 2jsx s ALA 71 Cb 0.05 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.60 2jsx s ALA 71 CO 0.41 -0.18 0.15 0.08 0.00 0.00 0.00 175.76 176.22 2jsx s VAL 72 N 0.91 4.00 -0.40 0.00 1.01 -1.26 -0.20 120.40 124.45 2jsx s VAL 72 Ca -0.06 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 2jsx s VAL 72 Cb -0.07 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2jsx s VAL 72 CO -0.06 -0.24 0.59 -0.44 0.00 0.00 0.00 175.10 174.94 2jsx s SER 73 N 1.53 6.32 -0.22 3.32 0.01 0.44 -4.95 113.70 120.15 2jsx s SER 73 Ca -0.00 -0.24 -0.23 0.00 1.31 0.00 0.00 55.95 56.79 2jsx s SER 73 Cb -0.20 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 2jsx s SER 73 CO 0.03 -0.66 0.73 -0.22 0.41 0.00 0.00 173.24 173.53 2jsx s LEU 74 N 2.63 4.11 -0.83 2.44 0.20 -1.26 -0.65 118.68 125.32 2jsx s LEU 74 Ca 0.21 0.93 -0.10 0.00 0.69 0.00 0.00 54.13 55.86 2jsx s LEU 74 Cb -0.15 -3.03 0.21 0.00 -0.43 0.00 0.00 46.19 42.79 2jsx s LEU 74 CO 0.16 -0.39 0.74 -0.69 -0.29 0.00 0.00 176.35 175.88 2jsx s VAL 75 N 2.37 5.11 0.02 1.68 1.01 0.11 -4.43 120.40 126.28 2jsx s VAL 75 Ca 0.32 -2.85 0.00 0.00 0.00 0.00 0.00 61.98 59.44 2jsx s VAL 75 Cb -0.16 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2jsx s VAL 75 CO 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 175.10 174.17 2jsx n TYR 76 N 3.52 -1.98 -3.58 5.22 9.36 -1.26 -1.52 117.16 126.92 2jsx n TYR 76 Ca 0.15 0.08 -0.12 0.00 3.32 0.00 0.00 57.90 61.33 2jsx n TYR 76 Cb 0.43 0.55 -0.06 0.00 -0.63 0.00 0.00 39.34 39.63 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 -2.00 -0.46 -0.03 2.98 5.04 -1.26 -5.14 115.29 114.42 2jsx s HIS 77 Ca 0.00 0.89 0.06 0.00 -1.54 0.00 0.00 55.06 54.46 2jsx s HIS 77 Cb 0.00 0.42 -0.01 0.00 0.04 0.00 0.00 32.58 33.03 2jsx s HIS 77 CO 0.00 -0.37 -0.20 1.14 -2.34 0.00 0.00 174.74 172.97 2jsx s GLN 78 N -0.80 1.79 0.00 2.88 -2.07 -1.26 -4.87 119.66 115.33 2jsx s GLN 78 Ca -0.02 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 2jsx s GLN 78 Cb -0.01 -1.64 0.00 0.00 -1.09 0.00 0.00 33.01 30.26 2jsx s GLN 78 CO 0.02 0.37 0.00 0.94 -1.32 0.00 0.00 175.29 175.30 2jsx n GLN 79 N 2.79 0.00 -0.86 9.60 -0.06 -1.26 -5.15 117.38 122.45 2jsx n GLN 79 Ca -0.16 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 54.95 2jsx n GLN 79 Cb 0.53 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.68 2jsx n GLN 79 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2jsx n GLU 80 N -1.42 -1.72 -0.06 3.69 -0.58 -1.26 -4.70 120.64 114.58 2jsx n GLU 80 Ca 0.00 1.13 -0.04 0.00 -0.42 0.00 0.00 57.16 57.84 2jsx n GLU 80 Cb 0.00 -2.10 -0.01 0.00 -0.57 0.00 0.00 31.44 28.76 2jsx n GLU 80 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2jsx h GLU 81 N 0.00 0.00 -3.19 3.49 4.81 -2.08 -3.49 114.58 114.12 2jsx h GLU 81 Ca 0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2jsx h GLU 81 Cb 0.78 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.00 2jsx h GLU 81 CO 0.01 0.00 -0.16 1.14 -0.73 0.00 0.00 179.01 179.26 2jsx s GLN 82 N -2.05 0.89 0.04 1.92 -2.07 -1.26 -5.17 119.66 111.96 2jsx s GLN 82 Ca -0.12 -0.46 -0.01 0.00 -1.82 0.00 0.00 55.36 52.95 2jsx s GLN 82 Cb 0.02 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 2jsx s GLN 82 CO 0.18 -0.30 -0.03 0.20 -1.32 0.00 0.00 175.29 174.02 2jsx s GLY 83 N -2.11 0.40 -1.30 2.60 0.00 -1.26 -5.05 107.32 100.59 2jsx s GLY 83 Ca -0.04 -0.99 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 2jsx s GLY 83 CO -0.04 -1.09 1.76 1.18 0.00 0.00 0.00 173.10 174.91 2jsx n GLU 84 N 0.64 3.23 -0.17 2.90 1.02 -1.26 -4.76 120.64 122.25 2jsx n GLU 84 Ca -0.18 -3.34 -0.06 0.00 -0.02 0.00 0.00 57.16 53.56 2jsx n GLU 84 Cb 0.59 -3.28 0.03 0.00 -0.02 0.00 0.00 31.44 28.75 2jsx n GLU 84 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jsx h GLU 85 N 7.00 0.59 -2.61 3.49 5.08 -2.06 -3.36 114.58 122.71 2jsx h GLU 85 Ca 0.43 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 58.18 2jsx h GLU 85 Cb 0.81 -0.13 -0.39 0.00 0.50 0.00 0.00 28.75 29.53 2jsx h GLU 85 CO 1.49 0.39 -0.84 -0.08 -1.00 0.00 0.00 179.01 178.97 2jsx s THR 86 N -6.15 0.12 0.63 1.13 -1.32 -1.26 -5.14 115.64 103.65 2jsx s THR 86 Ca -0.13 -1.61 -0.11 0.00 -1.21 0.00 0.00 61.69 58.64 2jsx s THR 86 Cb 0.13 -1.10 0.15 0.00 -1.51 0.00 0.00 72.50 70.17 2jsx s THR 86 CO 0.74 -0.96 0.59 -0.81 -2.21 0.00 0.00 174.62 171.96 2jsx n PRO 87 N 4.17 -1.95 -2.67 7.08 -0.04 -1.26 -4.77 135.00 135.56 2jsx n PRO 87 Ca 0.10 -0.93 -0.03 0.00 -0.04 0.00 0.00 63.50 62.59 2jsx n PRO 87 Cb 0.38 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 -3.15 -2.74 0.02 0.54 3.00 -1.26 -4.96 116.66 108.11 2jsx n ARG 88 Ca 0.08 2.32 -0.13 0.00 -0.01 0.00 0.00 57.85 60.12 2jsx n ARG 88 Cb 0.31 -5.19 -0.09 0.00 0.00 0.00 0.00 32.46 27.49 2jsx n ARG 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2jsx h SER 89 N 2.34 -0.04 -3.28 0.55 4.64 -2.07 -3.40 113.55 112.28 2jsx h SER 89 Ca 0.00 -0.32 -0.58 0.00 -0.47 0.00 0.00 61.79 60.42 2jsx h SER 89 Cb 0.44 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.47 2jsx h SER 89 CO 0.14 0.30 -0.14 -1.38 -0.87 0.00 0.00 176.83 174.87 2jsx s HIS 90 N -4.83 3.57 -0.02 4.77 0.00 -1.26 -5.02 115.29 112.50 2jsx s HIS 90 Ca -0.15 0.94 -0.04 0.00 -3.00 0.00 0.00 55.06 52.81 2jsx s HIS 90 Cb 0.03 -2.52 -0.02 0.00 -4.00 0.00 0.00 32.58 26.07 2jsx s HIS 90 CO 0.65 0.26 0.39 0.45 -1.00 0.00 0.00 174.74 175.50 2jsx h HIS 91 N 6.28 -0.14 -1.37 0.38 -0.00 -1.98 -3.49 115.15 114.83 2jsx h HIS 91 Ca -0.43 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.07 2jsx h HIS 91 Cb 1.19 0.05 -0.26 0.00 -0.00 0.00 0.00 27.41 28.39 2jsx h HIS 91 CO 0.64 -0.09 0.69 -3.38 -0.00 0.00 0.00 177.93 175.79 2jsx s HIS 92 N -2.11 -0.25 -0.26 2.45 -3.43 -1.26 -5.05 115.29 105.38 2jsx s HIS 92 Ca -0.02 0.47 -0.01 0.00 -0.80 0.00 0.00 55.06 54.69 2jsx s HIS 92 Cb 0.00 0.46 0.14 0.00 -1.43 0.00 0.00 32.58 31.75 2jsx s HIS 92 CO 0.07 -0.21 0.37 -1.58 -2.00 0.00 0.00 174.74 171.39 2jsx s HIS 93 N -0.85 -0.81 -1.54 0.38 2.46 -1.26 -5.05 115.29 108.61 2jsx s HIS 93 Ca 0.03 0.51 -0.12 0.00 0.47 0.00 0.00 55.06 55.95 2jsx s HIS 93 Cb -0.01 -0.12 -0.03 0.00 -0.13 0.00 0.00 32.58 32.29 2jsx s HIS 93 CO -0.04 -0.82 2.62 -2.39 -2.47 0.00 0.00 174.74 171.64 2jsx n HIS 94 N 5.35 2.93 -0.16 3.88 1.44 -1.26 -5.30 115.22 122.10 2jsx n HIS 94 Ca -0.02 -3.04 0.00 0.00 -2.01 0.00 0.00 57.72 52.65 2jsx n HIS 94 Cb 0.49 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 28.09 2jsx n HIS 94 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11