#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 -1.38 0.00 3.17 8.25 -1.26 -4.85 115.22 119.15 2jsx n HIS 2 Ca 0.00 0.74 -0.17 0.00 -0.26 0.00 0.00 57.72 58.03 2jsx n HIS 2 Cb 0.00 -1.64 -0.13 0.00 1.12 0.00 0.00 29.99 29.35 2jsx n HIS 2 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2jsx h THR 3 N 0.28 1.55 -2.73 1.59 2.02 -2.00 -3.43 112.91 110.19 2jsx h THR 3 Ca 0.00 -2.26 -0.27 0.00 0.77 0.00 0.00 66.41 64.65 2jsx h THR 3 Cb 0.16 3.00 -0.34 0.00 -1.74 0.00 0.00 68.15 69.23 2jsx h THR 3 CO 0.00 0.63 -0.59 0.21 0.37 0.00 0.00 175.52 176.14 2jsx s ASN 4 N -6.64 0.84 0.26 4.18 3.84 -1.26 -5.15 114.94 111.01 2jsx s ASN 4 Ca -0.15 0.20 0.08 0.00 0.21 0.00 0.00 52.86 53.21 2jsx s ASN 4 Cb 0.01 0.51 -0.04 0.00 -0.55 0.00 0.00 41.25 41.18 2jsx s ASN 4 CO 0.78 -0.28 0.12 -1.66 -2.79 0.00 0.00 177.10 173.27 2jsx s TRP 5 N 2.36 2.92 -0.02 0.43 1.48 -1.26 -4.50 118.94 120.34 2jsx s TRP 5 Ca 0.04 -0.18 0.05 0.00 -1.06 0.00 0.00 56.10 54.96 2jsx s TRP 5 Cb -0.14 -1.34 -0.01 0.00 -1.16 0.00 0.00 33.47 30.82 2jsx s TRP 5 CO -0.10 0.54 -0.19 1.14 -4.06 0.00 0.00 176.95 174.29 2jsx s GLN 6 N -3.78 1.64 -0.09 3.25 -2.07 0.13 -4.94 119.66 113.80 2jsx s GLN 6 Ca 0.33 -0.67 -0.01 0.00 -1.82 0.00 0.00 55.36 53.19 2jsx s GLN 6 Cb -0.07 -1.53 -0.03 0.00 -1.09 0.00 0.00 33.01 30.29 2jsx s GLN 6 CO 0.23 0.37 -0.05 0.14 -1.32 0.00 0.00 175.29 174.66 2jsx s VAL 7 N -0.31 3.89 0.06 3.63 -7.23 -1.26 -1.31 120.40 117.87 2jsx s VAL 7 Ca 0.04 -0.40 0.07 0.00 -1.81 0.00 0.00 61.98 59.88 2jsx s VAL 7 Cb -0.09 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2jsx s VAL 7 CO 0.00 0.58 -0.19 0.00 -0.31 0.00 0.00 175.10 175.18 2jsx s SER 9 N -1.41 6.38 -0.24 0.00 0.15 -0.35 -2.75 113.70 115.48 2jsx s SER 9 Ca 0.06 0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.13 2jsx s SER 9 Cb -0.09 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.11 2jsx s SER 9 CO 0.02 0.26 -0.05 -0.76 1.20 0.00 0.00 173.24 173.91 2jsx s LEU 10 N -0.25 3.13 -0.61 3.45 1.43 0.16 0.39 118.68 126.37 2jsx s LEU 10 Ca 0.14 -0.71 -0.22 0.00 -1.03 0.00 0.00 54.13 52.31 2jsx s LEU 10 Cb -0.12 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.47 2jsx s LEU 10 CO 0.03 -0.10 0.86 -0.69 0.23 0.00 0.00 176.35 176.68 2jsx s VAL 11 N 1.39 4.51 -0.42 -1.59 1.01 0.07 -0.87 120.40 124.49 2jsx s VAL 11 Ca 0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 2jsx s VAL 11 Cb -0.16 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 31.67 2jsx s VAL 11 CO -0.04 -1.26 0.48 -0.69 0.00 0.00 0.00 175.10 173.59 2jsx s VAL 12 N 3.57 5.04 0.01 2.92 1.01 0.65 -0.11 120.40 133.49 2jsx s VAL 12 Ca 0.20 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 2jsx s VAL 12 Cb -0.18 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2jsx s VAL 12 CO 0.11 -0.44 0.80 -1.10 0.00 0.00 0.00 175.10 174.47 2jsx s GLN 13 N 2.27 4.51 0.26 2.72 -1.52 0.15 -0.26 119.66 127.79 2jsx s GLN 13 Ca 0.14 1.11 -0.07 0.00 -1.95 0.00 0.00 55.36 54.59 2jsx s GLN 13 Cb -0.16 -3.41 -0.01 0.00 -0.22 0.00 0.00 33.01 29.20 2jsx s GLN 13 CO 0.15 0.14 0.39 0.00 -0.25 0.00 0.00 175.29 175.72 2jsx s ALA 14 N 0.43 0.37 0.06 6.09 0.00 -0.22 0.54 121.76 129.02 2jsx s ALA 14 Ca 0.41 -1.24 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 2jsx s ALA 14 Cb -0.20 1.17 -0.08 0.00 0.00 0.00 0.00 23.12 24.01 2jsx s ALA 14 CO 0.23 -0.77 1.72 0.15 0.00 0.00 0.00 175.76 177.09 2jsx s LYS 15 N -3.83 4.18 0.48 0.00 3.01 -0.86 -4.73 119.74 117.99 2jsx s LYS 15 Ca 0.29 2.39 0.15 0.00 -1.01 0.00 0.00 55.97 57.79 2jsx s LYS 15 Cb 0.01 -3.72 1.12 0.00 -1.01 0.00 0.00 37.83 34.24 2jsx s LYS 15 CO 0.13 -0.79 2.05 0.77 0.51 0.00 0.00 175.35 178.01 2jsx h SER 16 N 8.80 0.00 0.35 2.83 0.02 -1.87 -0.18 113.55 123.51 2jsx h SER 16 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2jsx h SER 16 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2jsx h SER 16 CO 0.94 0.11 -0.13 -1.84 -1.14 0.00 0.00 176.83 174.77 2jsx n GLU 17 N -4.38 0.70 0.00 3.45 0.28 -1.26 -3.52 120.64 115.90 2jsx n GLU 17 Ca -0.03 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.71 2jsx n GLU 17 Cb 0.19 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.56 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 -0.92 2.44 -0.26 3.44 0.63 -0.16 -4.74 116.66 117.10 2jsx n ARG 18 Ca 0.14 -1.32 -0.05 0.00 -0.92 0.00 0.00 57.85 55.70 2jsx n ARG 18 Cb 0.29 -0.92 0.06 0.00 0.45 0.00 0.00 32.46 32.33 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 0.45 1.18 -0.63 5.15 1.08 -1.39 0.15 117.51 123.50 2jsx h ILE 19 Ca 0.00 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 64.08 2jsx h ILE 19 Cb 0.56 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 2jsx h ILE 19 CO 0.00 0.18 0.18 -1.28 -0.69 0.00 0.00 178.15 176.54 2jsx h SER 20 N 0.98 0.91 -0.03 1.72 0.87 -1.85 0.15 113.55 116.30 2jsx h SER 20 Ca 0.27 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2jsx h SER 20 Cb -0.11 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.62 2jsx h SER 20 CO -0.06 0.87 -0.44 0.44 -0.53 0.00 0.00 176.83 177.11 2jsx h ASP 21 N 0.94 0.43 -0.70 6.23 3.32 -1.78 -3.13 116.42 121.74 2jsx h ASP 21 Ca 0.21 -0.73 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 2jsx h ASP 21 Cb 0.30 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2jsx h ASP 21 CO -0.00 1.10 0.17 0.40 -1.72 0.00 0.00 179.24 179.18 2jsx h ILE 22 N -0.19 1.26 0.00 0.35 2.04 -0.76 -2.07 117.51 118.14 2jsx h ILE 22 Ca -0.05 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 2jsx h ILE 22 Cb 1.15 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2jsx h ILE 22 CO 0.09 0.37 -0.15 0.77 0.00 0.00 0.00 178.15 179.23 2jsx h SER 23 N 1.05 0.00 0.33 1.72 4.64 -0.78 0.27 113.55 120.78 2jsx h SER 23 Ca 0.22 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.30 2jsx h SER 23 Cb 0.38 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2jsx h SER 23 CO 0.00 0.15 -1.00 0.74 -0.87 0.00 0.00 176.83 175.86 2jsx h THR 24 N 0.00 1.39 -0.35 2.95 2.02 -1.38 -2.13 112.91 115.41 2jsx h THR 24 Ca -0.00 -2.50 -0.14 0.00 0.77 0.00 0.00 66.41 64.54 2jsx h THR 24 Cb 0.29 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2jsx h THR 24 CO 0.02 0.75 -0.31 1.56 0.37 0.00 0.00 175.52 177.90 2jsx h GLN 25 N 0.23 0.83 -0.16 6.66 4.20 -0.62 -2.53 115.11 123.73 2jsx h GLN 25 Ca -0.10 -0.43 -0.07 0.00 0.06 0.00 0.00 58.65 58.12 2jsx h GLN 25 Cb 1.65 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.42 2jsx h GLN 25 CO 0.18 1.06 -0.19 -0.07 -0.67 0.00 0.00 178.83 179.13 2jsx h LEU 26 N 0.62 0.26 -0.01 1.46 3.38 -0.42 -1.43 115.31 119.17 2jsx h LEU 26 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jsx h LEU 26 Cb 0.89 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2jsx h LEU 26 CO 0.08 0.47 -0.01 0.59 0.09 0.00 0.00 178.44 179.66 2jsx n ASN 27 N -4.21 0.03 -0.66 -0.43 3.02 -0.81 -3.31 115.26 108.90 2jsx n ASN 27 Ca -0.01 -0.15 0.12 0.00 -0.03 0.00 0.00 54.58 54.51 2jsx n ASN 27 Cb 0.32 -0.28 0.37 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.27 2.52 -2.75 5.41 0.00 -0.54 -4.85 120.51 119.03 2jsx n ALA 28 Ca 0.14 -0.58 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 2jsx n ALA 28 Cb 0.25 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.83 3.56 -0.02 0.00 0.08 -1.21 -5.05 117.98 113.51 2jsx s PHE 29 Ca 0.34 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.65 2jsx s PHE 29 Cb 0.19 -1.98 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 2jsx s PHE 29 CO 0.29 0.58 1.63 -2.14 -0.10 0.00 0.00 175.22 175.49 2jsx s PRO 30 N -1.95 4.20 0.00 0.24 0.02 -1.26 -2.55 135.00 133.69 2jsx s PRO 30 Ca 0.30 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2jsx s PRO 30 Cb -0.13 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.53 2jsx s PRO 30 CO 0.18 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 2jsx n GLY 31 N 4.06 1.91 3.65 0.52 0.00 -1.26 -4.99 105.19 109.08 2jsx n GLY 31 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 1.25 -0.00 0.11 0.00 2.12 -1.14 -4.47 118.70 116.57 2jsx s GLU 33 Ca 0.11 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 2jsx s GLU 33 Cb -0.14 -0.23 -0.07 0.00 0.26 0.00 0.00 34.13 33.96 2jsx s GLU 33 CO 0.06 -0.17 1.22 0.08 -0.54 0.00 0.00 175.26 175.92 2jsx s VAL 34 N 1.09 3.81 -0.25 3.70 1.01 -1.26 -0.34 120.40 128.16 2jsx s VAL 34 Ca -0.09 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 2jsx s VAL 34 Cb -0.12 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 2jsx s VAL 34 CO -0.04 0.14 -0.33 0.00 0.00 0.00 0.00 175.10 174.87 2jsx n ALA 35 N 3.48 1.30 -2.75 5.51 0.00 0.15 -4.87 120.51 123.33 2jsx n ALA 35 Ca 0.08 -1.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.27 2jsx n ALA 35 Cb 0.45 0.15 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.51 1.32 -0.17 0.00 1.01 -1.05 -5.01 120.40 114.00 2jsx s VAL 36 Ca -0.35 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2jsx s VAL 36 Cb 0.13 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.41 2jsx s VAL 36 CO 0.45 0.38 -0.14 -0.44 0.00 0.00 0.00 175.10 175.35 2jsx s SER 37 N -0.13 2.94 -0.55 3.32 0.01 -1.26 -0.24 113.70 117.79 2jsx s SER 37 Ca 0.01 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 2jsx s SER 37 Cb -0.09 -1.24 0.14 0.00 0.21 0.00 0.00 66.02 65.04 2jsx s SER 37 CO 0.01 -0.07 0.34 -1.81 0.41 0.00 0.00 173.24 172.12 2jsx s ASP 38 N 1.43 5.13 0.21 2.44 1.01 0.11 -4.93 116.67 122.07 2jsx s ASP 38 Ca 0.03 -2.63 -0.09 0.00 0.71 0.00 0.00 52.55 50.57 2jsx s ASP 38 Cb -0.14 -1.82 0.24 0.00 1.01 0.00 0.00 42.92 42.22 2jsx s ASP 38 CO -0.10 -0.40 1.81 0.00 0.21 0.00 0.00 175.17 176.69 2jsx h ALA 39 N 7.26 0.90 -0.68 5.23 0.00 -1.93 0.15 119.26 130.20 2jsx h ALA 39 Ca -0.05 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2jsx h ALA 39 Cb 0.97 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2jsx h ALA 39 CO 0.70 0.07 0.38 -1.00 0.00 0.00 0.00 179.25 179.40 2jsx h PRO 40 N 0.71 0.68 0.00 0.00 0.13 -1.93 -2.69 132.00 128.89 2jsx h PRO 40 Ca 0.30 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.24 2jsx h PRO 40 Cb 0.17 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 2jsx h PRO 40 CO -0.18 0.45 -0.89 0.77 -0.23 0.00 0.00 178.00 177.92 2jsx h SER 41 N 0.70 0.00 0.00 1.44 0.02 -1.95 -3.47 113.55 110.29 2jsx h SER 41 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2jsx h SER 41 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2jsx h SER 41 CO -0.18 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 2jsx n GLY 42 N 1.31 0.42 3.42 -3.77 0.00 0.39 -4.95 105.19 102.01 2jsx n GLY 42 Ca -0.02 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.07 3.25 -0.19 1.61 0.74 -0.40 -1.05 119.66 120.54 2jsx s GLN 43 Ca 0.00 -0.65 0.01 0.00 0.05 0.00 0.00 55.36 54.77 2jsx s GLN 43 Cb 0.00 -2.63 0.04 0.00 1.10 0.00 0.00 33.01 31.51 2jsx s GLN 43 CO 0.00 0.32 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.41 2jsx s LEU 44 N 0.10 2.29 -0.29 3.68 1.43 0.64 0.05 118.68 126.58 2jsx s LEU 44 Ca -0.05 -0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 52.05 2jsx s LEU 44 Cb -0.14 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2jsx s LEU 44 CO 0.04 -0.10 0.50 -0.63 0.23 0.00 0.00 176.35 176.39 2jsx s ILE 45 N 1.35 5.06 -0.09 -0.59 -1.09 0.67 -0.25 121.20 126.25 2jsx s ILE 45 Ca 0.00 0.69 0.02 0.00 -2.23 0.00 0.00 60.65 59.14 2jsx s ILE 45 Cb -0.15 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2jsx s ILE 45 CO -0.09 0.00 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.76 2jsx s VAL 46 N 2.32 2.78 -0.16 2.92 1.01 -0.05 0.29 120.40 129.52 2jsx s VAL 46 Ca 0.20 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2jsx s VAL 46 Cb -0.16 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2jsx s VAL 46 CO 0.11 0.55 -0.20 -0.69 0.00 0.00 0.00 175.10 174.87 2jsx s VAL 47 N -0.04 2.22 0.01 2.92 1.01 0.54 0.40 120.40 127.46 2jsx s VAL 47 Ca -0.04 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.11 2jsx s VAL 47 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2jsx s VAL 47 CO 0.04 0.54 -0.26 -0.69 0.00 0.00 0.00 175.10 174.73 2jsx s VAL 48 N 0.96 2.08 -0.24 2.92 1.01 -1.11 -2.87 120.40 123.15 2jsx s VAL 48 Ca -0.03 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.63 2jsx s VAL 48 Cb -0.15 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2jsx s VAL 48 CO -0.04 0.47 0.08 -1.61 0.00 0.00 0.00 175.10 174.00 2jsx s GLU 49 N -0.92 3.76 0.13 2.72 8.01 -1.25 -2.70 118.70 128.45 2jsx s GLU 49 Ca 0.11 -0.43 0.02 0.00 0.01 0.00 0.00 54.97 54.68 2jsx s GLU 49 Cb -0.10 -3.33 -0.04 0.00 -4.31 0.00 0.00 34.13 26.35 2jsx s GLU 49 CO 0.01 -0.07 -0.04 0.00 0.01 0.00 0.00 175.26 175.16 2jsx s ALA 50 N 1.33 1.18 -0.21 5.21 0.00 -0.42 -4.93 121.76 123.91 2jsx s ALA 50 Ca 0.05 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 2jsx s ALA 50 Cb -0.15 0.32 -0.11 0.00 0.00 0.00 0.00 23.12 23.18 2jsx s ALA 50 CO 0.04 -0.26 -0.22 -1.91 0.00 0.00 0.00 175.76 173.41 2jsx n GLU 51 N -0.14 0.48 -3.96 0.00 2.13 -1.26 0.20 120.64 118.09 2jsx n GLU 51 Ca -0.10 0.15 -0.32 0.00 0.66 0.00 0.00 57.16 57.56 2jsx n GLU 51 Cb 0.62 -1.34 -0.05 0.00 0.27 0.00 0.00 31.44 30.94 2jsx n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jsx s ASP 52 N -6.38 6.15 0.10 4.31 1.01 -1.26 -4.76 116.67 115.84 2jsx s ASP 52 Ca -0.28 0.24 -0.14 0.00 0.71 0.00 0.00 52.55 53.08 2jsx s ASP 52 Cb 0.09 -1.86 -0.14 0.00 1.01 0.00 0.00 42.92 42.02 2jsx s ASP 52 CO 0.42 0.21 1.33 -1.28 0.21 0.00 0.00 175.17 176.06 2jsx h SER 53 N 3.46 0.89 0.27 0.27 0.87 -1.99 -2.72 113.55 114.59 2jsx h SER 53 Ca -0.47 -0.59 -0.19 0.00 -1.23 0.00 0.00 61.79 59.31 2jsx h SER 53 Cb 1.17 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2jsx h SER 53 CO 0.71 1.33 -0.74 -0.08 -0.53 0.00 0.00 176.83 177.51 2jsx h GLU 54 N 0.50 0.40 -0.86 2.24 4.81 -1.99 -1.26 114.58 118.42 2jsx h GLU 54 Ca -0.02 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2jsx h GLU 54 Cb 1.25 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 2jsx h GLU 54 CO 0.13 0.97 0.57 1.15 -0.73 0.00 0.00 179.01 181.11 2jsx h THR 55 N 0.27 1.21 0.03 0.32 2.02 -1.98 -0.59 112.91 114.18 2jsx h THR 55 Ca -0.03 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 2jsx h THR 55 Cb 1.32 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2jsx h THR 55 CO 0.13 0.21 -0.01 0.25 0.37 0.00 0.00 175.52 176.46 2jsx h LEU 56 N 1.15 -0.03 -0.63 2.58 5.85 -1.11 -2.43 115.31 120.69 2jsx h LEU 56 Ca 0.32 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2jsx h LEU 56 Cb -0.11 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 2jsx h LEU 56 CO -0.07 0.13 0.28 0.40 -0.34 0.00 0.00 178.44 178.85 2jsx h ILE 57 N -0.20 0.84 -0.69 4.05 2.04 -0.61 0.73 117.51 123.67 2jsx h ILE 57 Ca -0.00 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2jsx h ILE 57 Cb 0.19 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2jsx h ILE 57 CO 0.01 0.09 0.36 1.56 0.00 0.00 0.00 178.15 180.17 2jsx h GLN 58 N 0.51 0.97 -0.26 2.37 4.20 -1.03 0.16 115.11 122.03 2jsx h GLN 58 Ca 0.30 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 2jsx h GLN 58 Cb 0.32 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2jsx h GLN 58 CO -0.26 0.73 -0.42 1.15 -0.67 0.00 0.00 178.83 179.36 2jsx h THR 59 N 0.97 1.30 -0.25 -0.54 2.02 -0.78 -2.95 112.91 112.68 2jsx h THR 59 Ca 0.24 -1.61 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 2jsx h THR 59 Cb 0.06 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2jsx h THR 59 CO -0.04 0.52 0.06 0.40 0.37 0.00 0.00 175.52 176.83 2jsx h ILE 60 N 0.48 1.12 -0.37 3.11 2.04 -0.27 -2.09 117.51 121.54 2jsx h ILE 60 Ca 0.02 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.52 2jsx h ILE 60 Cb 1.01 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 2jsx h ILE 60 CO 0.10 0.15 -0.03 -0.08 0.00 0.00 0.00 178.15 178.29 2jsx h GLU 61 N 0.35 0.07 -0.42 2.37 4.81 -0.52 0.53 114.58 121.77 2jsx h GLU 61 Ca 0.09 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2jsx h GLU 61 Cb 0.14 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2jsx h GLU 61 CO -0.00 0.05 0.03 1.03 -0.73 0.00 0.00 179.01 179.39 2jsx h SER 62 N 0.07 0.62 -0.66 1.04 0.87 -1.37 -1.00 113.55 113.12 2jsx h SER 62 Ca 0.18 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2jsx h SER 62 Cb 0.26 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2jsx h SER 62 CO -0.33 0.67 0.34 0.58 -0.53 0.00 0.00 176.83 177.56 2jsx h VAL 63 N 0.63 1.22 0.00 2.23 2.07 -0.93 -1.64 116.25 119.83 2jsx h VAL 63 Ca 0.13 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2jsx h VAL 63 Cb 0.35 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2jsx h VAL 63 CO 0.01 0.26 0.00 0.03 0.02 0.00 0.00 177.57 177.89 2jsx h ARG 64 N 0.97 0.00 0.00 1.57 3.08 0.30 -3.06 114.38 117.24 2jsx h ARG 64 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2jsx h ARG 64 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2jsx h ARG 64 CO -0.03 0.00 0.00 -0.91 -1.07 0.00 0.00 179.97 177.96 2jsx h ASN 65 N 0.00 0.00 -2.73 7.04 -0.26 -0.26 -3.44 115.58 115.93 2jsx h ASN 65 Ca 0.00 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.18 2jsx h ASN 65 Cb 0.67 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.91 2jsx h ASN 65 CO 0.00 0.00 1.02 -0.69 -1.06 0.00 0.00 177.43 176.70 2jsx s VAL 66 N -3.31 3.85 -0.33 2.81 1.01 -1.16 -4.92 120.40 118.34 2jsx s VAL 66 Ca 0.06 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 2jsx s VAL 66 Cb 0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2jsx s VAL 66 CO 0.52 -0.09 1.38 -1.61 0.00 0.00 0.00 175.10 175.31 2jsx s GLU 67 N 3.81 3.78 0.00 2.72 2.02 -1.26 -2.16 118.70 127.61 2jsx s GLU 67 Ca 0.66 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.84 2jsx s GLU 67 Cb -0.29 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 29.99 2jsx s GLU 67 CO 0.24 -1.30 0.00 0.41 0.02 0.00 0.00 175.26 174.62 2jsx n GLY 68 N 4.63 0.75 3.74 -1.39 0.00 -1.26 -5.01 105.19 106.65 2jsx n GLY 68 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.61 -0.23 1.61 1.01 -0.92 -2.04 120.40 124.44 2jsx s VAL 69 Ca 0.00 1.88 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 2jsx s VAL 69 Cb 0.00 -4.23 -0.18 0.00 0.00 0.00 0.00 36.38 31.97 2jsx s VAL 69 CO 0.00 0.33 -0.06 0.18 0.00 0.00 0.00 175.10 175.56 2jsx n LEU 70 N 2.82 2.43 -3.64 3.92 4.77 0.19 -4.95 117.00 122.54 2jsx n LEU 70 Ca 0.00 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2jsx n LEU 70 Cb 0.50 -0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 2jsx n LEU 70 CO 0.49 0.71 0.54 0.00 -1.33 0.00 0.00 177.39 177.81 2jsx s ALA 71 N -2.50 -1.94 -0.35 -1.18 0.00 -1.06 -4.98 121.76 109.75 2jsx s ALA 71 Ca -0.32 2.10 -0.07 0.00 0.00 0.00 0.00 51.96 53.66 2jsx s ALA 71 Cb 0.10 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.86 2jsx s ALA 71 CO 0.61 -0.32 0.13 0.08 0.00 0.00 0.00 175.76 176.26 2jsx s VAL 72 N 0.75 3.88 -0.38 0.00 1.01 -1.26 0.32 120.40 124.73 2jsx s VAL 72 Ca -0.03 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 2jsx s VAL 72 Cb -0.05 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2jsx s VAL 72 CO -0.08 -0.22 0.59 -0.44 0.00 0.00 0.00 175.10 174.94 2jsx s SER 73 N 1.49 6.35 -0.48 3.32 0.01 0.85 -4.92 113.70 120.32 2jsx s SER 73 Ca -0.01 -0.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 2jsx s SER 73 Cb -0.20 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2jsx s SER 73 CO 0.03 -0.61 1.30 -0.22 0.41 0.00 0.00 173.24 174.16 2jsx s LEU 74 N 2.60 3.56 -0.95 2.44 0.20 -1.26 -0.75 118.68 124.51 2jsx s LEU 74 Ca 0.21 0.55 -0.14 0.00 0.69 0.00 0.00 54.13 55.44 2jsx s LEU 74 Cb -0.15 -3.43 0.21 0.00 -0.43 0.00 0.00 46.19 42.39 2jsx s LEU 74 CO 0.15 -1.43 0.99 -0.69 -0.29 0.00 0.00 176.35 175.08 2jsx s VAL 75 N 5.18 5.43 0.00 1.68 1.01 0.16 -4.23 120.40 129.63 2jsx s VAL 75 Ca 0.54 -2.47 0.00 0.00 0.00 0.00 0.00 61.98 60.05 2jsx s VAL 75 Cb -0.10 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.66 2jsx s VAL 75 CO 0.31 -1.23 0.00 0.00 0.00 0.00 0.00 175.10 174.17 2jsx n TYR 76 N 4.50 0.00 -4.73 5.22 9.36 -1.26 -1.21 117.16 129.03 2jsx n TYR 76 Ca 0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.43 2jsx n TYR 76 Cb 0.46 0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.36 2jsx n TYR 76 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2jsx n HIS 77 N -2.51 -1.56 -3.43 2.98 8.25 -1.26 -4.85 115.22 112.83 2jsx n HIS 77 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2jsx n HIS 77 Cb 0.23 0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.54 2jsx n HIS 77 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2jsx s GLN 78 N 0.00 3.15 0.00 -0.41 -0.21 -1.26 -4.98 119.66 115.95 2jsx s GLN 78 Ca 0.00 -0.86 0.12 0.00 0.02 0.00 0.00 55.36 54.63 2jsx s GLN 78 Cb 0.00 -2.78 0.71 0.00 1.00 0.00 0.00 33.01 31.95 2jsx s GLN 78 CO 0.00 0.04 1.15 0.00 -2.12 0.00 0.00 175.29 174.36 2jsx n GLN 79 N -1.70 0.38 -3.85 2.91 10.64 -1.26 -4.63 117.38 119.86 2jsx n GLN 79 Ca -0.01 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.81 2jsx n GLN 79 Cb 0.58 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.36 2jsx n GLN 79 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2jsx s GLU 80 N -2.00 3.98 0.07 2.61 0.41 -1.26 -5.00 118.70 117.50 2jsx s GLU 80 Ca 0.18 -0.33 -0.34 0.00 -0.41 0.00 0.00 54.97 54.07 2jsx s GLU 80 Cb 0.08 -3.34 -0.17 0.00 -1.78 0.00 0.00 34.13 28.92 2jsx s GLU 80 CO 0.14 0.15 1.52 0.93 -0.49 0.00 0.00 175.26 177.51 2jsx h GLU 81 N 7.14 -0.99 -1.93 1.61 3.07 -2.04 -2.46 114.58 118.98 2jsx h GLU 81 Ca -0.38 0.07 -0.39 0.00 -0.50 0.00 0.00 59.36 58.16 2jsx h GLU 81 Cb 1.17 0.23 -0.14 0.00 -0.84 0.00 0.00 28.75 29.16 2jsx h GLU 81 CO 0.68 -0.66 0.21 1.04 -1.40 0.00 0.00 179.01 178.88 2jsx n GLN 82 N -5.32 2.18 -1.26 2.33 6.02 -1.26 -4.79 117.38 115.28 2jsx n GLN 82 Ca -0.12 -1.86 -0.37 0.00 -0.01 0.00 0.00 57.00 54.64 2jsx n GLN 82 Cb 0.45 -2.00 -0.02 0.00 1.02 0.00 0.00 30.24 29.68 2jsx n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jsx n GLY 83 N 1.18 4.02 3.53 1.08 0.00 -0.93 -4.72 105.19 109.34 2jsx n GLY 83 Ca 0.43 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2jsx n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jsx s GLU 84 N 2.62 0.85 -0.23 1.61 -1.05 -1.26 -4.93 118.70 116.31 2jsx s GLU 84 Ca 0.61 0.64 -0.28 0.00 -0.15 0.00 0.00 54.97 55.79 2jsx s GLU 84 Cb 0.16 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 34.21 2jsx s GLU 84 CO -0.05 -0.17 2.08 -1.21 0.95 0.00 0.00 175.26 176.86 2jsx s GLU 85 N -0.24 3.26 -0.22 -4.83 0.41 -1.26 -4.93 118.70 110.88 2jsx s GLU 85 Ca -0.04 1.91 0.02 0.00 -0.41 0.00 0.00 54.97 56.44 2jsx s GLU 85 Cb -0.03 -4.31 0.04 0.00 -1.78 0.00 0.00 34.13 28.05 2jsx s GLU 85 CO 0.04 -1.96 -0.15 0.99 -0.49 0.00 0.00 175.26 173.69 2jsx s THR 86 N 7.65 2.12 0.00 3.63 2.01 -1.26 -5.11 115.64 124.68 2jsx s THR 86 Ca 0.94 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2jsx s THR 86 Cb -0.31 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.12 2jsx s THR 86 CO 0.35 0.23 0.00 -0.81 -0.69 0.00 0.00 174.62 173.70 2jsx n PRO 87 N 4.52 1.47 0.04 4.92 -0.04 -1.26 -4.92 135.00 139.73 2jsx n PRO 87 Ca -0.17 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 2jsx n PRO 87 Cb 0.46 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.17 2jsx n PRO 87 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2jsx n ARG 88 N -0.01 0.05 -0.06 0.54 1.85 -1.26 -2.29 116.66 115.48 2jsx n ARG 88 Ca 0.00 0.44 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 2jsx n ARG 88 Cb 0.00 -1.62 0.03 0.00 -1.05 0.00 0.00 32.46 29.81 2jsx n ARG 88 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jsx n SER 89 N -1.72 1.22 0.09 2.89 2.88 -1.26 -3.04 113.62 114.68 2jsx n SER 89 Ca 0.01 -2.06 0.13 0.00 -1.33 0.00 0.00 58.87 55.62 2jsx n SER 89 Cb 0.09 -0.47 0.44 0.00 -0.75 0.00 0.00 64.21 63.51 2jsx n SER 89 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2jsx n HIS 90 N 0.01 0.80 -2.44 0.66 -0.00 -0.97 -4.97 115.22 108.31 2jsx n HIS 90 Ca 0.02 0.24 -0.05 0.00 -0.00 0.00 0.00 57.72 57.92 2jsx n HIS 90 Cb 0.29 -0.89 0.01 0.00 -0.00 0.00 0.00 29.99 29.40 2jsx n HIS 90 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsx n HIS 91 N -2.16 -2.40 -2.63 1.57 -0.00 -1.17 -4.51 115.22 103.91 2jsx n HIS 91 Ca 0.05 0.97 -0.43 0.00 -0.00 0.00 0.00 57.72 58.31 2jsx n HIS 91 Cb 0.40 -3.30 -0.01 0.00 -0.00 0.00 0.00 29.99 27.09 2jsx n HIS 91 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsx s HIS 92 N -2.15 2.83 0.00 4.41 3.76 -1.26 -1.30 115.29 121.57 2jsx s HIS 92 Ca 0.17 -1.52 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 2jsx s HIS 92 Cb -0.05 -4.68 0.00 0.00 1.11 0.00 0.00 32.58 28.96 2jsx s HIS 92 CO 0.53 -1.78 0.00 1.58 -0.85 0.00 0.00 174.74 174.22 2jsx n HIS 93 N 8.11 0.00 -0.04 1.40 -0.00 -1.26 -4.93 115.22 118.50 2jsx n HIS 93 Ca 0.43 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 58.01 2jsx n HIS 93 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.37 2jsx n HIS 93 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jsx h HIS 94 N 0.00 0.48 -0.02 1.57 6.17 -1.51 -3.56 115.15 118.27 2jsx h HIS 94 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 60.37 60.89 2jsx h HIS 94 Cb 0.00 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 29.85 2jsx h HIS 94 CO 0.00 0.89 0.00 1.58 0.71 0.00 0.00 177.93 181.11