#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 0.29 0.14 1.12 -0.00 -1.26 -4.61 115.22 110.91 2jsx n HIS 2 Ca 0.00 0.07 -0.14 0.00 -0.00 0.00 0.00 57.72 57.65 2jsx n HIS 2 Cb 0.00 -1.04 -0.08 0.00 -0.00 0.00 0.00 29.99 28.87 2jsx n HIS 2 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 2jsx h THR 3 N 0.01 0.80 -3.45 1.59 2.02 -2.05 -3.37 112.91 108.47 2jsx h THR 3 Ca -0.53 -0.42 -0.77 0.00 0.77 0.00 0.00 66.41 65.46 2jsx h THR 3 Cb 2.00 1.04 -0.24 0.00 -1.74 0.00 0.00 68.15 69.20 2jsx h THR 3 CO -0.03 0.09 0.12 0.20 0.37 0.00 0.00 175.52 176.28 2jsx s ASN 4 N -5.07 6.59 0.29 4.18 -0.87 -1.26 -5.00 114.94 113.80 2jsx s ASN 4 Ca -0.15 -2.35 0.08 0.00 -1.57 0.00 0.00 52.86 48.88 2jsx s ASN 4 Cb 0.03 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 2jsx s ASN 4 CO 0.60 -0.73 0.16 -1.66 -2.57 0.00 0.00 177.10 172.90 2jsx s TRP 5 N 0.92 2.88 -0.13 2.20 1.48 -1.26 -4.96 118.94 120.08 2jsx s TRP 5 Ca 0.16 -0.23 -0.29 0.00 -1.06 0.00 0.00 56.10 54.67 2jsx s TRP 5 Cb -0.14 -1.48 -0.03 0.00 -1.16 0.00 0.00 33.47 30.66 2jsx s TRP 5 CO -0.05 0.44 1.38 -0.65 -4.06 0.00 0.00 176.95 174.00 2jsx s GLN 6 N -3.83 4.22 -0.10 3.25 -0.21 -0.65 -4.89 119.66 117.44 2jsx s GLN 6 Ca 0.35 1.83 0.04 0.00 0.02 0.00 0.00 55.36 57.59 2jsx s GLN 6 Cb -0.06 -3.82 -0.00 0.00 1.00 0.00 0.00 33.01 30.13 2jsx s GLN 6 CO 0.24 -0.74 -0.23 0.14 -2.12 0.00 0.00 175.29 172.58 2jsx s VAL 7 N 3.61 2.20 0.00 1.09 -7.23 -1.26 -0.93 120.40 117.87 2jsx s VAL 7 Ca 0.60 -0.97 -0.04 0.00 -1.81 0.00 0.00 61.98 59.76 2jsx s VAL 7 Cb -0.25 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 34.84 2jsx s VAL 7 CO 0.19 0.56 0.08 0.00 -0.31 0.00 0.00 175.10 175.62 2jsx s SER 9 N -1.15 5.68 -0.13 0.00 0.15 -0.79 -0.36 113.70 117.10 2jsx s SER 9 Ca -0.12 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.56 2jsx s SER 9 Cb -0.07 -1.57 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 2jsx s SER 9 CO 0.01 0.16 -0.15 -0.76 1.20 0.00 0.00 173.24 173.69 2jsx s LEU 10 N -2.49 1.75 -0.61 3.45 1.43 0.12 0.31 118.68 122.64 2jsx s LEU 10 Ca 0.30 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2jsx s LEU 10 Cb -0.12 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 45.00 2jsx s LEU 10 CO 0.23 -0.01 0.86 -0.69 0.23 0.00 0.00 176.35 176.97 2jsx s VAL 11 N 1.22 4.52 -0.34 -1.59 1.01 -0.03 -1.13 120.40 124.05 2jsx s VAL 11 Ca -0.01 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2jsx s VAL 11 Cb -0.14 -4.57 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 2jsx s VAL 11 CO -0.06 -1.25 0.37 -0.69 0.00 0.00 0.00 175.10 173.47 2jsx s VAL 12 N 3.55 5.16 -0.24 2.92 1.01 0.44 -0.61 120.40 132.64 2jsx s VAL 12 Ca 0.20 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 2jsx s VAL 12 Cb -0.18 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2jsx s VAL 12 CO 0.11 -0.09 0.52 -1.58 0.00 0.00 0.00 175.10 174.05 2jsx s GLN 13 N 2.03 4.12 0.25 2.72 0.74 0.11 -0.51 119.66 129.12 2jsx s GLN 13 Ca 0.12 0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.92 2jsx s GLN 13 Cb -0.16 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 2jsx s GLN 13 CO 0.12 -0.27 0.17 0.00 -0.55 0.00 0.00 175.29 174.76 2jsx s ALA 14 N 2.03 1.51 0.13 1.58 0.00 0.17 -0.38 121.76 126.80 2jsx s ALA 14 Ca 0.22 -1.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.06 2jsx s ALA 14 Cb -0.15 1.36 -0.11 0.00 0.00 0.00 0.00 23.12 24.22 2jsx s ALA 14 CO 0.09 -0.59 1.84 1.63 0.00 0.00 0.00 175.76 178.73 2jsx n LYS 15 N -0.42 2.83 0.24 0.00 4.01 -1.22 -4.56 118.16 119.03 2jsx n LYS 15 Ca 0.03 1.03 0.08 0.00 -0.51 0.00 0.00 58.31 58.95 2jsx n LYS 15 Cb 0.65 -2.93 0.59 0.00 -0.51 0.00 0.00 35.03 32.83 2jsx n LYS 15 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2jsx h SER 16 N 8.50 0.00 1.02 4.39 4.64 -1.86 0.67 113.55 130.91 2jsx h SER 16 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jsx h SER 16 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jsx h SER 16 CO 0.95 0.18 0.00 -1.84 -0.87 0.00 0.00 176.83 175.25 2jsx n GLU 17 N -3.95 0.04 -0.09 4.77 0.28 -1.26 -3.45 120.64 116.97 2jsx n GLU 17 Ca -0.02 0.06 0.08 0.00 -0.16 0.00 0.00 57.16 57.12 2jsx n GLU 17 Cb 0.27 -1.55 0.11 0.00 1.43 0.00 0.00 31.44 31.70 2jsx n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2jsx n ARG 18 N -1.62 1.37 -0.06 3.44 0.63 0.18 -4.75 116.66 115.85 2jsx n ARG 18 Ca 0.06 -2.31 -0.10 0.00 -0.92 0.00 0.00 57.85 54.59 2jsx n ARG 18 Cb 0.34 -1.35 -0.04 0.00 0.45 0.00 0.00 32.46 31.86 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 0.58 1.14 -0.85 5.15 1.08 -1.45 -0.23 117.51 122.93 2jsx h ILE 19 Ca 0.00 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 2jsx h ILE 19 Cb 0.97 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 2jsx h ILE 19 CO 0.00 0.13 0.49 0.28 -0.69 0.00 0.00 178.15 178.36 2jsx h SER 20 N 0.22 1.04 0.59 1.72 0.02 -1.86 0.46 113.55 115.73 2jsx h SER 20 Ca 0.07 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2jsx h SER 20 Cb 0.12 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.40 2jsx h SER 20 CO -0.01 0.82 -0.28 -0.78 -1.14 0.00 0.00 176.83 175.44 2jsx h ASP 21 N 1.17 -0.67 -0.22 3.07 3.58 -1.82 -2.70 116.42 118.84 2jsx h ASP 21 Ca 0.30 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 2jsx h ASP 21 Cb -0.01 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2jsx h ASP 21 CO -0.05 -0.34 -0.05 0.40 -2.88 0.00 0.00 179.24 176.31 2jsx h ILE 22 N -1.01 1.22 -0.05 2.25 2.04 -0.95 -0.86 117.51 120.15 2jsx h ILE 22 Ca -0.08 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 2jsx h ILE 22 Cb 0.66 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2jsx h ILE 22 CO 0.13 0.31 -0.17 -1.28 0.00 0.00 0.00 178.15 177.15 2jsx h SER 23 N 0.52 0.07 1.05 1.72 0.87 -0.93 0.36 113.55 117.22 2jsx h SER 23 Ca 0.10 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 2jsx h SER 23 Cb 0.42 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2jsx h SER 23 CO 0.02 0.25 -0.98 0.74 -0.53 0.00 0.00 176.83 176.33 2jsx h THR 24 N 0.07 1.32 -0.04 2.23 2.02 -0.85 -1.43 112.91 116.23 2jsx h THR 24 Ca 0.01 -2.94 -0.06 0.00 0.77 0.00 0.00 66.41 64.20 2jsx h THR 24 Cb 0.34 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2jsx h THR 24 CO 0.02 0.75 -0.20 1.56 0.37 0.00 0.00 175.52 178.03 2jsx h GLN 25 N 0.00 0.20 -0.11 6.66 4.20 -0.52 -3.22 115.11 122.33 2jsx h GLN 25 Ca -0.05 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.37 2jsx h GLN 25 Cb 1.69 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 2jsx h GLN 25 CO 0.10 0.82 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.53 2jsx h LEU 26 N -0.37 0.30 -0.23 1.46 3.38 -0.29 -2.48 115.31 117.09 2jsx h LEU 26 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jsx h LEU 26 Cb 0.86 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2jsx h LEU 26 CO 0.04 0.74 0.00 -3.20 0.09 0.00 0.00 178.44 176.11 2jsx n ASN 27 N -3.97 0.34 -1.18 -0.43 5.15 -0.54 -3.13 115.26 111.50 2jsx n ASN 27 Ca -0.02 -1.68 0.10 0.00 -0.60 0.00 0.00 54.58 52.39 2jsx n ASN 27 Cb 0.54 -0.03 0.27 0.00 -0.53 0.00 0.00 39.78 40.03 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 -0.47 2.34 -2.83 5.20 0.00 -0.93 -4.83 120.51 118.99 2jsx n ALA 28 Ca 0.10 -1.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.00 2jsx n ALA 28 Cb 0.09 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.05 3.32 -0.23 0.00 0.08 -1.18 -5.06 117.98 113.85 2jsx s PHE 29 Ca 0.42 0.14 -0.29 0.00 0.12 0.00 0.00 56.93 57.33 2jsx s PHE 29 Cb 0.22 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 2jsx s PHE 29 CO 0.29 0.55 1.62 -2.14 -0.10 0.00 0.00 175.22 175.44 2jsx s PRO 30 N -2.46 3.76 0.00 0.24 0.02 -1.26 -2.12 135.00 133.18 2jsx s PRO 30 Ca 0.32 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2jsx s PRO 30 Cb -0.12 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.35 2jsx s PRO 30 CO 0.24 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 2jsx n GLY 31 N 4.72 0.79 3.18 0.52 0.00 -1.26 -4.93 105.19 108.21 2jsx n GLY 31 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 1.29 0.76 -0.10 0.00 2.12 -0.98 -4.09 118.70 117.69 2jsx s GLU 33 Ca -0.03 -0.53 -0.24 0.00 0.36 0.00 0.00 54.97 54.54 2jsx s GLU 33 Cb -0.18 -0.71 -0.03 0.00 0.26 0.00 0.00 34.13 33.47 2jsx s GLU 33 CO -0.03 0.18 0.73 0.08 -0.54 0.00 0.00 175.26 175.68 2jsx s VAL 34 N -0.60 5.01 -0.23 3.70 1.01 -1.26 -0.32 120.40 127.71 2jsx s VAL 34 Ca 0.01 1.47 -0.15 0.00 0.00 0.00 0.00 61.98 63.30 2jsx s VAL 34 Cb -0.06 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 2jsx s VAL 34 CO 0.00 0.19 -0.35 0.00 0.00 0.00 0.00 175.10 174.94 2jsx n ALA 35 N 4.21 1.10 -3.75 5.51 0.00 0.83 -4.93 120.51 123.48 2jsx n ALA 35 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 53.44 52.16 2jsx n ALA 35 Cb 0.51 0.10 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.67 1.90 -0.33 0.00 1.01 -1.17 -4.99 120.40 114.15 2jsx s VAL 36 Ca -0.34 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 2jsx s VAL 36 Cb 0.10 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.85 2jsx s VAL 36 CO 0.46 0.52 0.06 -0.44 0.00 0.00 0.00 175.10 175.70 2jsx s SER 37 N 0.97 5.00 -0.64 3.32 0.01 -1.26 0.13 113.70 121.22 2jsx s SER 37 Ca -0.04 -1.55 -0.16 0.00 1.31 0.00 0.00 55.95 55.51 2jsx s SER 37 Cb -0.15 -1.74 0.16 0.00 0.21 0.00 0.00 66.02 64.49 2jsx s SER 37 CO -0.04 -0.35 0.62 -1.81 0.41 0.00 0.00 173.24 172.07 2jsx s ASP 38 N 1.40 6.38 0.13 2.44 1.11 0.12 -4.95 116.67 123.31 2jsx s ASP 38 Ca -0.00 -2.05 -0.19 0.00 0.18 0.00 0.00 52.55 50.49 2jsx s ASP 38 Cb -0.21 -2.22 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 2jsx s ASP 38 CO -0.02 -0.80 1.74 0.00 1.18 0.00 0.00 175.17 177.27 2jsx h ALA 39 N 8.56 0.25 -0.68 5.23 0.00 -1.92 -0.59 119.26 130.11 2jsx h ALA 39 Ca -0.16 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2jsx h ALA 39 Cb 1.08 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2jsx h ALA 39 CO 0.96 -0.37 0.45 -1.00 0.00 0.00 0.00 179.25 179.29 2jsx h PRO 40 N 0.15 0.61 -0.00 0.00 0.13 -1.92 -1.45 132.00 129.52 2jsx h PRO 40 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2jsx h PRO 40 Cb 0.10 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2jsx h PRO 40 CO -0.13 0.40 -0.74 0.43 -0.23 0.00 0.00 178.00 177.73 2jsx n SER 41 N -4.48 0.97 -0.80 1.44 7.64 -1.18 -4.94 113.62 112.26 2jsx n SER 41 Ca 0.10 -0.83 -0.08 0.00 1.01 0.00 0.00 58.87 59.08 2jsx n SER 41 Cb 0.28 0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 64.13 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 1.48 0.42 3.70 0.23 0.00 -0.55 -4.86 105.19 105.62 2jsx n GLY 42 Ca 0.06 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.72 3.90 -0.16 1.61 -0.21 -0.31 -0.65 119.66 120.11 2jsx s GLN 43 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.11 2jsx s GLN 43 Cb 0.00 -3.25 0.03 0.00 1.00 0.00 0.00 33.01 30.80 2jsx s GLN 43 CO 0.00 0.39 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.94 2jsx s LEU 44 N 0.07 1.81 -0.31 2.90 1.43 0.33 0.16 118.68 125.07 2jsx s LEU 44 Ca 0.07 -0.62 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 2jsx s LEU 44 Cb -0.12 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 2jsx s LEU 44 CO 0.00 -0.11 0.57 -0.63 0.23 0.00 0.00 176.35 176.41 2jsx s ILE 45 N 1.50 4.98 -0.18 -0.59 -1.09 0.12 -0.42 121.20 125.53 2jsx s ILE 45 Ca 0.02 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2jsx s ILE 45 Cb -0.14 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2jsx s ILE 45 CO -0.09 -0.13 -0.16 -0.69 -1.23 0.00 0.00 174.94 172.64 2jsx s VAL 46 N 2.50 2.49 -0.44 2.92 1.01 -0.29 -0.12 120.40 128.47 2jsx s VAL 46 Ca 0.22 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 2jsx s VAL 46 Cb -0.15 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.20 2jsx s VAL 46 CO 0.12 0.51 0.44 -0.69 0.00 0.00 0.00 175.10 175.48 2jsx s VAL 47 N 1.13 5.10 -0.30 2.92 1.01 0.57 0.12 120.40 130.94 2jsx s VAL 47 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 2jsx s VAL 47 Cb -0.14 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2jsx s VAL 47 CO -0.06 -0.48 0.13 -0.69 0.00 0.00 0.00 175.10 174.00 2jsx s VAL 48 N 2.07 4.46 -0.16 2.92 1.01 0.52 -2.32 120.40 128.90 2jsx s VAL 48 Ca 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2jsx s VAL 48 Cb -0.19 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2jsx s VAL 48 CO 0.12 0.09 -0.20 -1.83 0.00 0.00 0.00 175.10 173.28 2jsx s GLU 49 N 1.59 3.03 -0.04 2.72 -1.05 0.20 -1.15 118.70 124.00 2jsx s GLU 49 Ca 0.04 -0.83 -0.08 0.00 -0.15 0.00 0.00 54.97 53.95 2jsx s GLU 49 Cb -0.17 -2.53 0.01 0.00 -0.44 0.00 0.00 34.13 31.00 2jsx s GLU 49 CO 0.05 -0.11 0.20 0.00 0.95 0.00 0.00 175.26 176.36 2jsx s ALA 50 N 1.05 -0.50 -0.06 -0.84 0.00 -0.11 -4.53 121.76 116.78 2jsx s ALA 50 Ca -0.01 0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 2jsx s ALA 50 Cb -0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 2jsx s ALA 50 CO -0.07 -0.16 0.56 1.49 0.00 0.00 0.00 175.76 177.58 2jsx h GLU 51 N 5.00 -0.28 -6.89 0.00 4.81 -1.94 -1.73 114.58 113.56 2jsx h GLU 51 Ca -0.28 0.02 -0.47 0.00 -0.13 0.00 0.00 59.36 58.50 2jsx h GLU 51 Cb 1.19 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2jsx h GLU 51 CO 0.39 -0.02 0.27 -0.51 -0.73 0.00 0.00 179.01 178.41 2jsx s ASP 52 N -5.31 7.05 0.09 1.04 1.01 -1.26 -4.30 116.67 115.00 2jsx s ASP 52 Ca -0.08 1.63 -0.21 0.00 0.71 0.00 0.00 52.55 54.60 2jsx s ASP 52 Cb 0.00 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 2jsx s ASP 52 CO 0.28 -0.19 1.66 -1.28 0.21 0.00 0.00 175.17 175.84 2jsx h SER 53 N 2.56 0.20 -0.42 0.27 0.87 -2.00 -0.46 113.55 114.57 2jsx h SER 53 Ca -0.48 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 59.81 2jsx h SER 53 Cb 1.18 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 2jsx h SER 53 CO 0.63 0.27 -0.27 1.05 -0.53 0.00 0.00 176.83 177.98 2jsx h GLU 54 N 0.12 0.95 -0.51 2.24 9.09 -1.99 -2.17 114.58 122.30 2jsx h GLU 54 Ca 0.05 -0.43 -0.03 0.00 0.05 0.00 0.00 59.36 59.00 2jsx h GLU 54 Cb 0.12 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.18 2jsx h GLU 54 CO -0.01 1.10 0.21 1.15 0.05 0.00 0.00 179.01 181.51 2jsx h THR 55 N 0.81 1.19 -0.00 -1.06 2.02 -1.91 0.97 112.91 114.91 2jsx h THR 55 Ca 0.09 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2jsx h THR 55 Cb 0.85 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2jsx h THR 55 CO 0.07 0.23 0.00 0.25 0.37 0.00 0.00 175.52 176.44 2jsx h LEU 56 N 0.72 0.01 -0.62 2.58 5.85 -0.58 -1.51 115.31 121.76 2jsx h LEU 56 Ca 0.18 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2jsx h LEU 56 Cb 0.13 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2jsx h LEU 56 CO -0.02 0.10 0.38 0.40 -0.34 0.00 0.00 178.44 178.96 2jsx h ILE 57 N -0.09 1.18 -0.37 4.05 2.04 -0.78 -0.22 117.51 123.33 2jsx h ILE 57 Ca 0.00 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2jsx h ILE 57 Cb 0.10 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2jsx h ILE 57 CO -0.00 0.19 0.07 1.56 0.00 0.00 0.00 178.15 179.97 2jsx h GLN 58 N 0.85 0.55 -0.00 2.37 1.08 -0.67 -0.93 115.11 118.36 2jsx h GLN 58 Ca 0.22 -0.10 -0.22 0.00 -1.45 0.00 0.00 58.65 57.11 2jsx h GLN 58 Cb -0.02 -0.09 0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2jsx h GLN 58 CO -0.04 0.53 -0.84 1.15 -0.95 0.00 0.00 178.83 178.68 2jsx h THR 59 N 0.54 1.35 -0.66 -0.54 2.02 -0.75 -3.17 112.91 111.69 2jsx h THR 59 Ca 0.12 -2.16 -0.03 0.00 0.77 0.00 0.00 66.41 65.10 2jsx h THR 59 Cb 0.24 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 2jsx h THR 59 CO 0.00 0.65 0.27 0.40 0.37 0.00 0.00 175.52 177.22 2jsx h ILE 60 N 0.17 1.23 -0.53 3.11 2.04 -0.58 -2.22 117.51 120.72 2jsx h ILE 60 Ca -0.10 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 2jsx h ILE 60 Cb 1.52 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2jsx h ILE 60 CO 0.17 0.28 -0.03 1.05 0.00 0.00 0.00 178.15 179.62 2jsx h GLU 61 N 0.95 0.93 -0.70 2.37 4.11 -1.25 -1.38 114.58 119.61 2jsx h GLU 61 Ca 0.23 -0.29 0.04 0.00 0.07 0.00 0.00 59.36 59.41 2jsx h GLU 61 Cb 0.17 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2jsx h GLU 61 CO -0.02 0.94 0.42 0.77 0.07 0.00 0.00 179.01 181.19 2jsx h SER 62 N 0.85 0.68 -0.80 3.06 0.02 -1.40 0.73 113.55 116.69 2jsx h SER 62 Ca 0.15 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2jsx h SER 62 Cb 0.55 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2jsx h SER 62 CO 0.03 0.46 0.52 0.58 -1.14 0.00 0.00 176.83 177.28 2jsx h VAL 63 N 0.81 1.21 0.00 2.27 2.07 -1.07 -1.99 116.25 119.55 2jsx h VAL 63 Ca 0.29 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2jsx h VAL 63 Cb 0.08 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2jsx h VAL 63 CO -0.13 0.21 0.00 0.54 0.02 0.00 0.00 177.57 178.20 2jsx n ARG 64 N -4.51 0.00 0.00 1.57 1.74 -0.44 -2.72 116.66 112.30 2jsx n ARG 64 Ca 0.08 0.03 0.14 0.00 -0.77 0.00 0.00 57.85 57.33 2jsx n ARG 64 Cb 0.02 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.51 0.45 -4.63 0.55 3.02 0.12 -4.79 115.26 108.47 2jsx n ASN 65 Ca 0.07 -0.35 -0.43 0.00 -0.03 0.00 0.00 54.58 53.84 2jsx n ASN 65 Cb 0.32 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 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 -2.68 3.89 -0.47 2.41 1.01 -1.10 -4.91 120.40 118.54 2jsx s VAL 66 Ca 0.22 1.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.93 2jsx s VAL 66 Cb 0.19 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2jsx s VAL 66 CO 0.54 -0.34 1.39 -1.61 0.00 0.00 0.00 175.10 175.07 2jsx s GLU 67 N 4.40 3.48 0.00 2.72 2.02 -1.26 -2.05 118.70 128.01 2jsx s GLU 67 Ca 0.65 0.72 0.00 0.00 0.02 0.00 0.00 54.97 56.36 2jsx s GLU 67 Cb -0.22 -4.05 0.00 0.00 0.10 0.00 0.00 34.13 29.96 2jsx s GLU 67 CO 0.26 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 174.25 2jsx n GLY 68 N 5.13 0.37 3.78 -1.39 0.00 -1.26 -5.08 105.19 106.74 2jsx n GLY 68 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2jsx n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsx s VAL 69 N 0.00 4.22 -0.20 1.61 0.11 -0.87 -3.45 120.40 121.83 2jsx s VAL 69 Ca 0.00 1.83 -0.14 0.00 -2.93 0.00 0.00 61.98 60.74 2jsx s VAL 69 Cb 0.00 -4.06 -0.08 0.00 -1.53 0.00 0.00 36.38 30.71 2jsx s VAL 69 CO 0.00 0.22 -0.31 0.18 -3.33 0.00 0.00 175.10 171.86 2jsx n LEU 70 N 0.76 1.76 -3.69 2.54 4.77 0.49 -4.98 117.00 118.66 2jsx n LEU 70 Ca 0.01 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2jsx n LEU 70 Cb 0.50 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 2jsx n LEU 70 CO 0.45 0.10 0.14 0.00 -1.33 0.00 0.00 177.39 176.76 2jsx s ALA 71 N -2.61 -1.26 -0.22 -1.18 0.00 -0.77 -5.01 121.76 110.72 2jsx s ALA 71 Ca -0.30 1.68 -0.05 0.00 0.00 0.00 0.00 51.96 53.30 2jsx s ALA 71 Cb 0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2jsx s ALA 71 CO 0.40 -0.28 -0.01 0.08 0.00 0.00 0.00 175.76 175.95 2jsx s VAL 72 N 1.17 3.71 -0.28 0.00 1.01 -1.26 0.04 120.40 124.80 2jsx s VAL 72 Ca -0.07 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2jsx s VAL 72 Cb -0.07 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2jsx s VAL 72 CO -0.11 0.41 0.14 -0.55 0.00 0.00 0.00 175.10 174.99 2jsx s SER 73 N 1.31 5.57 -0.52 3.32 0.15 0.22 -4.96 113.70 118.79 2jsx s SER 73 Ca 0.04 -0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.15 2jsx s SER 73 Cb -0.15 -2.02 0.03 0.00 -1.71 0.00 0.00 66.02 62.18 2jsx s SER 73 CO -0.00 -0.11 1.02 -0.22 1.20 0.00 0.00 173.24 175.14 2jsx s LEU 74 N 1.66 3.85 -1.11 3.45 0.20 -1.26 -0.85 118.68 124.62 2jsx s LEU 74 Ca 0.06 0.01 -0.19 0.00 0.69 0.00 0.00 54.13 54.70 2jsx s LEU 74 Cb -0.16 -3.11 0.10 0.00 -0.43 0.00 0.00 46.19 42.58 2jsx s LEU 74 CO 0.07 -1.24 1.45 -0.69 -0.29 0.00 0.00 176.35 175.64 2jsx s VAL 75 N 4.21 4.40 0.00 1.68 1.01 0.15 -2.69 120.40 129.16 2jsx s VAL 75 Ca 0.38 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2jsx s VAL 75 Cb -0.10 -5.00 0.00 0.00 0.00 0.00 0.00 36.38 31.28 2jsx s VAL 75 CO 0.25 -1.79 0.00 0.00 0.00 0.00 0.00 175.10 173.55 2jsx n TYR 76 N 7.51 0.00 -0.32 5.22 9.36 -1.26 -1.88 117.16 135.78 2jsx n TYR 76 Ca 0.36 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.61 2jsx n TYR 76 Cb 0.47 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.16 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 -1.42 -0.86 0.00 2.98 8.25 -1.10 -5.00 115.22 118.08 2jsx n HIS 77 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2jsx n HIS 77 Cb 0.00 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.31 2jsx n HIS 77 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2jsx n GLN 78 N -2.46 0.00 -2.76 -0.41 -0.06 -1.26 -4.91 117.38 105.52 2jsx n GLN 78 Ca -0.02 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.55 2jsx n GLN 78 Cb 0.15 -0.58 -0.03 0.00 -4.06 0.00 0.00 30.24 25.72 2jsx n GLN 78 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2jsx s GLN 79 N -1.97 3.55 0.09 3.69 -2.07 -1.26 -4.31 119.66 117.38 2jsx s GLN 79 Ca 0.00 -1.38 0.00 0.00 -1.82 0.00 0.00 55.36 52.16 2jsx s GLN 79 Cb 0.00 -5.02 0.00 0.00 -1.09 0.00 0.00 33.01 26.90 2jsx s GLN 79 CO 0.00 -1.97 0.00 -1.91 -1.32 0.00 0.00 175.29 170.09 2jsx n GLU 80 N 7.69 0.00 0.08 9.60 4.07 -1.24 -4.22 120.64 136.62 2jsx n GLU 80 Ca 0.25 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.37 2jsx n GLU 80 Cb 0.50 -0.24 0.37 0.00 -0.06 0.00 0.00 31.44 32.00 2jsx n GLU 80 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2jsx h GLU 81 N 0.00 0.34 -0.02 5.31 4.11 -2.00 -1.85 114.58 120.47 2jsx h GLU 81 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2jsx h GLU 81 Cb 0.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2jsx h GLU 81 CO 0.00 0.42 -0.02 0.00 0.07 0.00 0.00 179.01 179.49 2jsx n GLN 82 N -4.29 1.76 0.00 1.06 10.64 -1.26 -4.95 117.38 120.34 2jsx n GLN 82 Ca 0.00 -1.15 0.00 0.00 -1.83 0.00 0.00 57.00 54.03 2jsx n GLN 82 Cb 0.25 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 2jsx n GLN 82 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jsx n GLY 83 N 1.22 3.86 0.21 2.61 0.00 -0.70 -4.97 105.19 107.42 2jsx n GLY 83 Ca 0.18 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.52 2jsx n GLY 83 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jsx h GLU 84 N 0.00 0.00 -6.40 1.61 4.11 -1.73 -3.29 114.58 108.88 2jsx h GLU 84 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 2jsx h GLU 84 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jsx h GLU 84 CO 0.00 0.07 0.18 -1.21 0.07 0.00 0.00 179.01 178.12 2jsx s GLU 85 N -3.18 4.54 -0.30 1.06 0.41 -1.26 -4.96 118.70 115.00 2jsx s GLU 85 Ca 0.06 1.13 -0.20 0.00 -0.41 0.00 0.00 54.97 55.55 2jsx s GLU 85 Cb 0.06 -3.33 -0.01 0.00 -1.78 0.00 0.00 34.13 29.07 2jsx s GLU 85 CO 0.68 0.38 0.63 0.95 -0.49 0.00 0.00 175.26 177.42 2jsx s THR 86 N -0.45 4.94 0.00 3.63 -4.23 -1.26 -5.05 115.64 113.21 2jsx s THR 86 Ca 0.38 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 2jsx s THR 86 Cb -0.22 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.63 2jsx s THR 86 CO 0.25 -0.13 0.00 -0.81 -0.54 0.00 0.00 174.62 173.39 2jsx n PRO 87 N 5.87 0.90 -2.27 3.99 -0.04 -1.26 -4.94 135.00 137.25 2jsx n PRO 87 Ca -0.01 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.07 2jsx n PRO 87 Cb 0.49 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.92 2jsx n PRO 87 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jsx s ARG 88 N -0.92 2.90 0.04 0.54 0.52 -1.26 -4.96 118.95 115.81 2jsx s ARG 88 Ca 0.00 0.08 -0.31 0.00 -0.52 0.00 0.00 55.73 54.98 2jsx s ARG 88 Cb 0.00 -4.45 -0.06 0.00 0.52 0.00 0.00 34.95 30.96 2jsx s ARG 88 CO 0.00 -2.54 1.27 -1.12 0.02 0.00 0.00 175.30 172.93 2jsx s SER 89 N 6.24 6.98 -0.05 0.23 0.01 -1.26 -4.48 113.70 121.39 2jsx s SER 89 Ca 0.54 2.06 -0.03 0.00 1.31 0.00 0.00 55.95 59.83 2jsx s SER 89 Cb -0.09 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.58 2jsx s SER 89 CO 0.14 -0.57 0.06 1.41 0.41 0.00 0.00 173.24 174.70 2jsx n HIS 90 N 4.39 -1.52 -2.62 2.43 8.25 -1.26 -4.86 115.22 120.02 2jsx n HIS 90 Ca 0.10 0.89 -0.43 0.00 -0.26 0.00 0.00 57.72 58.03 2jsx n HIS 90 Cb 0.45 -2.38 -0.00 0.00 1.12 0.00 0.00 29.99 29.18 2jsx n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jsx s HIS 91 N -0.21 2.85 -0.39 4.41 2.46 -1.26 -4.54 115.29 118.59 2jsx s HIS 91 Ca -0.07 -1.63 0.22 0.00 0.47 0.00 0.00 55.06 54.04 2jsx s HIS 91 Cb 0.00 -4.70 -0.30 0.00 -0.13 0.00 0.00 32.58 27.45 2jsx s HIS 91 CO 0.20 -1.77 0.64 1.58 -2.47 0.00 0.00 174.74 172.92 2jsx n HIS 92 N 8.12 0.00 -3.85 3.88 -0.00 -1.26 -4.78 115.22 117.32 2jsx n HIS 92 Ca 0.46 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.88 2jsx n HIS 92 Cb 0.46 -0.31 -0.15 0.00 -0.00 0.00 0.00 29.99 29.99 2jsx n HIS 92 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsx s HIS 93 N -3.32 2.63 -0.69 1.57 4.02 -1.26 -5.05 115.29 113.20 2jsx s HIS 93 Ca -0.02 -2.45 -0.27 0.00 1.02 0.00 0.00 55.06 53.34 2jsx s HIS 93 Cb 0.15 -2.29 0.02 0.00 -1.02 0.00 0.00 32.58 29.44 2jsx s HIS 93 CO 0.89 -0.87 1.43 -1.58 1.02 0.00 0.00 174.74 175.62 2jsx s HIS 94 N 0.96 2.15 -2.49 1.40 2.46 -1.26 -5.22 115.29 113.28 2jsx s HIS 94 Ca 0.12 0.21 0.20 0.00 0.47 0.00 0.00 55.06 56.07 2jsx s HIS 94 Cb -0.20 -4.48 0.16 0.00 -0.13 0.00 0.00 32.58 27.93 2jsx s HIS 94 CO -0.12 -2.11 1.13 -2.39 -2.47 0.00 0.00 174.74 168.78