#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtr s GLU 2 N 0.00 0.64 0.03 0.00 -1.05 -1.26 -1.27 118.70 115.79 2jtr s GLU 2 Ca 0.00 -1.20 -0.05 0.00 -0.15 0.00 0.00 54.97 53.58 2jtr s GLU 2 Cb 0.00 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 2jtr s GLU 2 CO 0.00 -0.13 0.08 -1.01 0.95 0.00 0.00 175.26 175.15 2jtr s HIS 3 N -3.92 0.20 -0.26 4.83 3.76 -0.92 -4.89 115.29 114.09 2jtr s HIS 3 Ca 0.07 -0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 54.45 2jtr s HIS 3 Cb 0.08 -0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.61 2jtr s HIS 3 CO -0.10 -0.32 0.05 -1.58 -0.85 0.00 0.00 174.74 171.94 2jtr s TRP 4 N -2.25 3.08 -0.29 1.40 0.52 -1.26 -1.59 118.94 118.56 2jtr s TRP 4 Ca -0.08 -0.79 -0.04 0.00 0.02 0.00 0.00 56.10 55.22 2jtr s TRP 4 Cb -0.03 -2.21 0.03 0.00 -1.15 0.00 0.00 33.47 30.10 2jtr s TRP 4 CO -0.03 -0.50 0.02 0.42 0.02 0.00 0.00 176.95 176.88 2jtr s ILE 5 N 1.53 3.33 0.15 2.03 1.09 0.21 -1.50 121.20 128.04 2jtr s ILE 5 Ca 0.05 -1.03 -0.30 0.00 -1.10 0.00 0.00 60.65 58.26 2jtr s ILE 5 Cb -0.16 -2.78 -0.08 0.00 -1.06 0.00 0.00 42.46 38.38 2jtr s ILE 5 CO 0.01 0.04 1.29 -0.62 -0.10 0.00 0.00 174.94 175.56 2jtr s ASP 6 N 1.37 6.95 0.00 3.58 2.15 0.16 -2.25 116.67 128.63 2jtr s ASP 6 Ca -0.01 2.28 0.00 0.00 0.43 0.00 0.00 52.55 55.25 2jtr s ASP 6 Cb -0.18 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2jtr s ASP 6 CO -0.01 -0.52 0.79 0.55 -0.17 0.00 0.00 175.17 175.82 2jtr n VAL 7 N 3.17 0.61 -0.92 1.11 3.14 -0.55 -0.55 118.33 124.34 2jtr n VAL 7 Ca 0.08 -0.62 -0.31 0.00 -2.96 0.00 0.00 64.34 60.53 2jtr n VAL 7 Cb 0.44 0.71 0.15 0.00 -1.06 0.00 0.00 33.84 34.08 2jtr n VAL 7 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jtr s ARG 8 N -0.61 1.27 0.70 1.45 1.70 -1.25 -2.17 118.95 120.04 2jtr s ARG 8 Ca 0.00 1.28 -0.17 0.00 -0.47 0.00 0.00 55.73 56.38 2jtr s ARG 8 Cb 0.00 -1.78 0.02 0.00 -0.57 0.00 0.00 34.95 32.62 2jtr s ARG 8 CO 0.00 -2.37 1.23 1.33 -1.08 0.00 0.00 175.30 174.41 2jtr n VAL 9 N -4.03 3.96 -0.18 4.99 0.24 -1.26 -4.27 118.33 117.78 2jtr n VAL 9 Ca 0.10 -0.41 -0.01 0.00 -2.04 0.00 0.00 64.34 61.98 2jtr n VAL 9 Cb 0.53 -1.37 0.22 0.00 -1.47 0.00 0.00 33.84 31.75 2jtr n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jtr h PRO 10 N 0.07 0.93 0.00 7.34 0.13 -1.98 -0.11 132.00 138.38 2jtr h PRO 10 Ca -0.49 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2jtr h PRO 10 Cb 1.33 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jtr h PRO 10 CO 0.50 0.69 0.00 0.39 -0.23 0.00 0.00 178.00 179.36 2jtr n GLU 11 N -4.36 0.16 -0.08 0.86 1.02 -1.26 -1.03 120.64 115.94 2jtr n GLU 11 Ca 0.06 0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 57.30 2jtr n GLU 11 Cb 0.11 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.91 2jtr n GLU 11 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jtr n GLN 12 N -1.33 1.43 -0.34 3.49 6.02 -0.18 -4.27 117.38 122.21 2jtr n GLN 12 Ca 0.06 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.04 2jtr n GLN 12 Cb 0.12 -1.38 0.11 0.00 1.02 0.00 0.00 30.24 30.11 2jtr n GLN 12 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2jtr h TYR 13 N 0.00 1.13 0.00 1.08 3.20 -0.56 -0.71 116.97 121.11 2jtr h TYR 13 Ca -0.41 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2jtr h TYR 13 Cb 1.89 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.78 2jtr h TYR 13 CO 0.00 0.68 0.00 1.04 -1.64 0.00 0.00 178.16 178.24 2jtr n GLN 14 N -4.48 0.04 -0.08 1.82 1.13 -0.20 -2.67 117.38 112.93 2jtr n GLN 14 Ca 0.11 0.33 -0.06 0.00 -1.94 0.00 0.00 57.00 55.44 2jtr n GLN 14 Cb 0.05 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 2jtr n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jtr n GLN 15 N -1.41 0.47 -3.79 -1.09 6.02 -0.32 -3.83 117.38 113.42 2jtr n GLN 15 Ca 0.02 0.44 -0.05 0.00 -0.01 0.00 0.00 57.00 57.40 2jtr n GLN 15 Cb 0.06 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 2jtr n GLN 15 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2jtr s GLU 16 N -2.43 1.40 0.29 -1.09 1.03 -0.89 -1.19 118.70 115.82 2jtr s GLU 16 Ca -0.19 -0.78 -0.13 0.00 0.03 0.00 0.00 54.97 53.90 2jtr s GLU 16 Cb 0.03 0.48 0.01 0.00 -0.80 0.00 0.00 34.13 33.85 2jtr s GLU 16 CO 0.28 -0.64 0.58 -3.38 -1.33 0.00 0.00 175.26 170.77 2jtr s HIS 17 N -3.51 0.32 0.41 4.83 -3.43 -0.70 -4.27 115.29 108.95 2jtr s HIS 17 Ca 0.12 -0.74 -0.25 0.00 -0.80 0.00 0.00 55.06 53.39 2jtr s HIS 17 Cb -0.03 0.36 -0.08 0.00 -1.43 0.00 0.00 32.58 31.40 2jtr s HIS 17 CO 0.04 -1.17 1.20 0.08 -2.00 0.00 0.00 174.74 172.89 2jtr s VAL 18 N -3.54 3.03 0.89 -5.38 1.01 -1.26 -1.00 120.40 114.15 2jtr s VAL 18 Ca 0.20 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 2jtr s VAL 18 Cb -0.02 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 33.00 2jtr s VAL 18 CO 0.11 0.08 1.14 0.00 0.00 0.00 0.00 175.10 176.43 2jtr s GLN 19 N -2.32 1.20 -1.11 2.72 -2.07 -0.15 -4.08 119.66 113.85 2jtr s GLN 19 Ca 0.58 1.51 -0.06 0.00 -1.82 0.00 0.00 55.36 55.56 2jtr s GLN 19 Cb -0.32 -1.75 0.01 0.00 -1.09 0.00 0.00 33.01 29.86 2jtr s GLN 19 CO 0.40 -2.49 0.96 0.41 -1.32 0.00 0.00 175.29 173.25 2jtr n GLY 20 N 0.03 -0.28 3.34 2.60 0.00 -1.26 -4.98 105.19 104.64 2jtr n GLY 20 Ca 0.12 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 2jtr n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtr s ALA 21 N -3.27 2.09 -0.00 4.61 0.00 -1.26 -4.50 121.76 119.43 2jtr s ALA 21 Ca 0.40 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.60 2jtr s ALA 21 Cb -0.17 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 2jtr s ALA 21 CO 0.61 -0.56 -0.11 -1.50 0.00 0.00 0.00 175.76 174.20 2jtr s ILE 22 N -3.46 0.84 -0.21 0.00 2.07 -0.56 -4.98 121.20 114.90 2jtr s ILE 22 Ca 0.36 -0.51 -0.27 0.00 -1.41 0.00 0.00 60.65 58.81 2jtr s ILE 22 Cb 0.03 -0.71 -0.00 0.00 0.13 0.00 0.00 42.46 41.91 2jtr s ILE 22 CO 0.22 0.19 0.92 0.21 -1.91 0.00 0.00 174.94 174.57 2jtr s ASN 23 N -0.37 6.99 -0.42 4.50 3.84 -1.26 -0.66 114.94 127.55 2jtr s ASN 23 Ca 0.03 1.23 0.06 0.00 0.21 0.00 0.00 52.86 54.40 2jtr s ASN 23 Cb -0.05 -2.49 0.21 0.00 -0.55 0.00 0.00 41.25 38.38 2jtr s ASN 23 CO -0.00 -0.54 0.51 -0.38 -2.79 0.00 0.00 177.10 173.90 2jtr n ILE 24 N 5.10 -0.76 -1.53 -5.21 5.41 0.28 -4.96 119.36 117.70 2jtr n ILE 24 Ca 0.08 -3.19 -0.37 0.00 1.00 0.00 0.00 62.75 60.27 2jtr n ILE 24 Cb 0.47 -1.15 0.06 0.00 -0.71 0.00 0.00 39.64 38.31 2jtr n ILE 24 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2jtr n PRO 25 N 2.17 0.70 0.28 0.38 -0.02 -1.26 -4.14 135.00 133.10 2jtr n PRO 25 Ca 0.23 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 2jtr n PRO 25 Cb 0.52 -2.05 0.78 0.00 -0.02 0.00 0.00 33.50 32.74 2jtr n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jtr h LEU 26 N 0.23 0.00 -0.07 2.45 5.85 -1.66 0.19 115.31 122.30 2jtr h LEU 26 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2jtr h LEU 26 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2jtr h LEU 26 CO 0.49 0.02 0.00 0.29 -0.34 0.00 0.00 178.44 178.90 2jtr n LYS 27 N -4.10 0.02 0.00 1.25 5.02 -1.26 -3.87 118.16 115.22 2jtr n LYS 27 Ca -0.03 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2jtr n LYS 27 Cb 0.11 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2jtr n LYS 27 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jtr n GLU 28 N -1.57 2.71 -0.32 1.97 -0.58 0.19 -4.88 120.64 118.15 2jtr n GLU 28 Ca 0.03 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.86 2jtr n GLU 28 Cb 0.18 -0.77 0.25 0.00 -0.57 0.00 0.00 31.44 30.53 2jtr n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2jtr h VAL 29 N 0.00 0.77 -0.03 2.62 3.04 -0.87 -0.26 116.25 121.53 2jtr h VAL 29 Ca 0.00 -0.25 0.01 0.00 -1.01 0.00 0.00 66.70 65.44 2jtr h VAL 29 Cb 0.07 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.31 2jtr h VAL 29 CO 0.00 0.13 0.05 0.11 -1.01 0.00 0.00 177.57 176.85 2jtr h LYS 30 N 0.74 0.00 -0.12 4.17 1.57 -1.87 0.18 116.57 121.25 2jtr h LYS 30 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2jtr h LYS 30 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2jtr h LYS 30 CO -0.34 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.93 2jtr n GLU 31 N -3.55 1.27 0.00 3.15 -0.58 -0.13 -4.75 120.64 116.04 2jtr n GLU 31 Ca -0.02 -1.45 0.00 0.00 -0.42 0.00 0.00 57.16 55.27 2jtr n GLU 31 Cb 0.13 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jtr n ARG 32 N 0.63 0.33 -0.15 3.49 0.63 -0.59 -4.85 116.66 116.15 2jtr n ARG 32 Ca 0.08 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2jtr n ARG 32 Cb 0.33 -0.66 0.24 0.00 0.45 0.00 0.00 32.46 32.83 2jtr n ARG 32 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2jtr h ILE 33 N 0.00 1.20 0.00 5.15 6.09 -1.27 -0.46 117.51 128.22 2jtr h ILE 33 Ca 0.00 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 2jtr h ILE 33 Cb 0.32 0.38 0.00 0.00 0.47 0.00 0.00 36.82 37.99 2jtr h ILE 33 CO 0.00 0.23 0.00 0.00 -3.07 0.00 0.00 178.15 175.31 2jtr n ALA 34 N -2.44 1.25 -0.02 0.18 0.00 -1.26 -0.72 120.51 117.49 2jtr n ALA 34 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2jtr n ALA 34 Cb 0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2jtr n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jtr n THR 35 N -1.58 0.28 -0.11 0.00 -1.04 -0.67 -4.18 114.28 106.97 2jtr n THR 35 Ca 0.01 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.05 61.82 2jtr n THR 35 Cb 0.07 -0.77 0.11 0.00 -1.82 0.00 0.00 70.33 67.92 2jtr n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtr h ALA 36 N 0.08 0.96 -2.33 2.41 0.00 -0.84 -3.36 119.26 116.19 2jtr h ALA 36 Ca -0.11 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.90 2jtr h ALA 36 Cb 1.20 -0.18 -0.39 0.00 0.00 0.00 0.00 17.79 18.42 2jtr h ALA 36 CO -0.01 0.61 -0.95 0.28 0.00 0.00 0.00 179.25 179.19 2jtr n VAL 37 N -4.16 -0.55 1.52 0.00 0.31 0.10 -5.02 118.33 110.53 2jtr n VAL 37 Ca 0.01 -3.85 0.00 0.00 -0.01 0.00 0.00 64.34 60.49 2jtr n VAL 37 Cb 0.37 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 2jtr n VAL 37 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jtr n PRO 38 N 2.22 0.78 -3.80 5.55 -0.04 -1.26 -4.55 135.00 133.90 2jtr n PRO 38 Ca 0.26 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.59 2jtr n PRO 38 Cb 0.48 -1.02 -0.15 0.00 -0.04 0.00 0.00 33.50 32.77 2jtr n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jtr s ASP 39 N -1.18 0.02 0.27 3.54 -1.08 -1.26 -5.01 116.67 111.97 2jtr s ASP 39 Ca 0.00 0.06 0.25 0.00 -0.52 0.00 0.00 52.55 52.34 2jtr s ASP 39 Cb 0.00 -0.01 0.98 0.00 -1.46 0.00 0.00 42.92 42.43 2jtr s ASP 39 CO 0.00 -0.09 1.74 0.07 0.52 0.00 0.00 175.17 177.42 2jtr h LYS 40 N 6.85 0.00 0.00 4.34 2.10 -1.91 -3.26 116.57 124.69 2jtr h LYS 40 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2jtr h LYS 40 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2jtr h LYS 40 CO 0.48 0.00 0.00 -2.95 -2.00 0.00 0.00 179.45 174.98 2jtr h ASN 41 N 0.00 0.00 -4.01 7.07 7.08 -1.96 -3.34 115.58 120.43 2jtr h ASN 41 Ca 0.00 0.00 -0.54 0.00 -3.08 0.00 0.00 56.30 52.68 2jtr h ASN 41 Cb 0.44 0.00 0.11 0.00 -2.08 0.00 0.00 38.32 36.79 2jtr h ASN 41 CO 0.00 0.00 0.63 -0.62 -2.08 0.00 0.00 177.43 175.36 2jtr s ASP 42 N -5.26 5.75 -1.07 6.14 2.15 -1.23 -4.85 116.67 118.29 2jtr s ASP 42 Ca 0.06 2.76 -0.22 0.00 0.43 0.00 0.00 52.55 55.58 2jtr s ASP 42 Cb 0.09 -2.64 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 2jtr s ASP 42 CO 0.57 -1.24 1.53 -0.89 -0.17 0.00 0.00 175.17 174.96 2jtr s THR 43 N -1.28 3.95 -1.18 1.71 2.01 -0.39 -4.51 115.64 115.94 2jtr s THR 43 Ca 0.64 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 2jtr s THR 43 Cb -0.40 -5.06 -0.01 0.00 0.01 0.00 0.00 72.50 67.04 2jtr s THR 43 CO 0.50 -1.92 1.82 -0.69 -0.69 0.00 0.00 174.62 173.63 2jtr s VAL 44 N 5.01 3.78 0.16 3.82 1.01 -1.05 -2.16 120.40 130.97 2jtr s VAL 44 Ca 0.48 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 2jtr s VAL 44 Cb 0.01 -4.79 -0.08 0.00 0.00 0.00 0.00 36.38 31.51 2jtr s VAL 44 CO -0.06 -1.46 1.33 -0.54 0.00 0.00 0.00 175.10 174.37 2jtr s LYS 45 N 5.56 4.36 0.03 2.72 1.02 -0.62 -2.76 119.74 130.05 2jtr s LYS 45 Ca 0.61 2.04 0.06 0.00 0.02 0.00 0.00 55.97 58.71 2jtr s LYS 45 Cb 0.00 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 2jtr s LYS 45 CO 0.08 -0.32 -0.18 0.14 -0.92 0.00 0.00 175.35 174.14 2jtr s VAL 46 N 0.55 1.42 0.11 3.17 -7.23 -0.11 -0.62 120.40 117.69 2jtr s VAL 46 Ca 0.60 -1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 59.62 2jtr s VAL 46 Cb -0.36 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.37 2jtr s VAL 46 CO 0.35 0.20 0.33 -0.72 -0.31 0.00 0.00 175.10 174.94 2jtr s TYR 47 N -0.70 -0.08 0.16 2.82 -0.85 -0.95 -1.12 117.35 116.63 2jtr s TYR 47 Ca 0.06 -0.28 -0.20 0.00 -0.52 0.00 0.00 57.07 56.13 2jtr s TYR 47 Cb -0.08 0.15 0.07 0.00 0.38 0.00 0.00 41.96 42.48 2jtr s TYR 47 CO 0.01 -0.65 0.95 0.00 -1.52 0.00 0.00 175.55 174.34 2jtr n ASN 49 N -1.22 3.85 -0.95 0.00 2.85 -1.26 -1.00 115.26 117.53 2jtr n ASN 49 Ca -0.02 1.03 -0.09 0.00 -0.11 0.00 0.00 54.58 55.39 2jtr n ASN 49 Cb 0.53 -1.53 -0.04 0.00 1.24 0.00 0.00 39.78 39.98 2jtr n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jtr n ALA 50 N 4.71 -0.14 -0.67 5.20 0.00 -1.26 -3.50 120.51 124.85 2jtr n ALA 50 Ca 0.17 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2jtr n ALA 50 Cb 0.35 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2jtr n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtr n GLY 51 N 0.03 0.24 0.27 0.00 0.00 -1.07 -4.85 105.19 99.81 2jtr n GLY 51 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2jtr n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jtr h ARG 52 N 0.70 0.95 -0.01 1.61 2.47 -1.86 -0.08 114.38 118.16 2jtr h ARG 52 Ca 0.00 -0.47 -0.10 0.00 -1.26 0.00 0.00 59.98 58.15 2jtr h ARG 52 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2jtr h ARG 52 CO 0.00 1.13 -0.45 1.96 0.56 0.00 0.00 179.97 183.17 2jtr h GLN 53 N 0.78 0.02 -0.09 0.04 7.50 -1.89 -1.28 115.11 120.20 2jtr h GLN 53 Ca 0.07 -0.01 -0.04 0.00 0.50 0.00 0.00 58.65 59.18 2jtr h GLN 53 Cb 0.93 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.46 2jtr h GLN 53 CO 0.09 0.46 -0.10 0.77 -1.50 0.00 0.00 178.83 178.55 2jtr h SER 54 N 0.01 0.24 -0.56 1.46 0.02 -1.76 0.22 113.55 113.18 2jtr h SER 54 Ca -0.00 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2jtr h SER 54 Cb 0.80 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 2jtr h SER 54 CO 0.06 0.69 0.24 1.23 -1.14 0.00 0.00 176.83 177.91 2jtr h GLY 55 N -0.21 0.89 0.75 -3.77 0.00 -0.96 -0.08 103.07 99.69 2jtr h GLY 55 Ca 0.01 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 46.90 2jtr h GLY 55 CO 0.02 0.45 0.01 1.46 0.00 0.00 0.00 176.54 178.48 2jtr h GLN 56 N 0.77 0.07 -0.44 4.80 4.20 -1.26 -2.88 115.11 120.36 2jtr h GLN 56 Ca 0.19 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 2jtr h GLN 56 Cb 0.17 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2jtr h GLN 56 CO -0.02 0.04 0.08 0.00 -0.67 0.00 0.00 178.83 178.27 2jtr h ALA 57 N 1.14 1.32 -0.67 3.87 0.00 -0.50 -2.95 119.26 121.48 2jtr h ALA 57 Ca 0.08 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2jtr h ALA 57 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2jtr h ALA 57 CO -0.13 0.48 0.44 -0.22 0.00 0.00 0.00 179.25 179.82 2jtr h LYS 58 N 0.65 0.62 0.32 0.00 3.64 -0.79 -0.20 116.57 120.80 2jtr h LYS 58 Ca 0.14 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2jtr h LYS 58 Cb 0.28 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2jtr h LYS 58 CO 0.00 0.41 -0.15 0.93 -2.27 0.00 0.00 179.45 178.37 2jtr h GLU 59 N 0.64 -0.42 -0.13 1.90 5.08 -1.56 -0.47 114.58 119.62 2jtr h GLU 59 Ca 0.30 0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.57 2jtr h GLU 59 Cb 0.34 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2jtr h GLU 59 CO -0.10 -0.17 -0.43 -0.84 -1.00 0.00 0.00 179.01 176.47 2jtr h ILE 60 N -0.60 1.32 -0.57 3.13 3.07 -1.58 -1.58 117.51 120.70 2jtr h ILE 60 Ca -0.04 -1.59 -0.11 0.00 1.55 0.00 0.00 64.86 64.67 2jtr h ILE 60 Cb 0.44 1.70 -0.02 0.00 -0.27 0.00 0.00 36.82 38.66 2jtr h ILE 60 CO 0.07 0.48 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.52 2jtr h LEU 61 N 0.25 1.04 -0.89 0.16 3.38 -0.98 0.56 115.31 118.82 2jtr h LEU 61 Ca 0.02 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2jtr h LEU 61 Cb 0.87 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2jtr h LEU 61 CO 0.07 1.12 0.21 0.28 0.09 0.00 0.00 178.44 180.21 2jtr h SER 62 N 0.93 0.96 -0.51 -0.43 0.02 -0.80 -0.48 113.55 113.23 2jtr h SER 62 Ca 0.15 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2jtr h SER 62 Cb 0.62 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2jtr h SER 62 CO 0.04 0.89 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.50 2jtr h GLU 63 N 0.99 0.93 -0.23 3.45 4.81 -0.90 -2.80 114.58 120.84 2jtr h GLU 63 Ca 0.22 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2jtr h GLU 63 Cb 0.28 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jtr h GLU 63 CO -0.01 0.98 -0.08 0.52 -0.73 0.00 0.00 179.01 179.69 2jtr h MET 64 N 0.80 0.37 0.00 1.92 2.86 -0.61 -3.47 114.93 116.80 2jtr h MET 64 Ca 0.14 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2jtr h MET 64 Cb 0.58 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2jtr h MET 64 CO 0.03 0.46 0.00 0.41 1.06 0.00 0.00 176.91 178.88 2jtr n GLY 65 N -0.86 0.00 3.69 8.32 0.00 -0.32 -5.09 105.19 110.93 2jtr n GLY 65 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jtr n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtr s TYR 66 N -0.86 2.69 -0.62 1.61 1.51 -0.46 -4.91 117.35 116.31 2jtr s TYR 66 Ca 0.00 0.61 0.07 0.00 -1.01 0.00 0.00 57.07 56.74 2jtr s TYR 66 Cb 0.00 -3.80 0.19 0.00 -0.11 0.00 0.00 41.96 38.24 2jtr s TYR 66 CO 0.00 -3.06 1.13 0.25 -1.11 0.00 0.00 175.55 172.76 2jtr n THR 67 N 4.65 0.92 -2.15 -0.71 -2.24 -1.25 -3.91 114.28 109.60 2jtr n THR 67 Ca 0.14 -0.96 0.05 0.00 -2.27 0.00 0.00 64.05 61.01 2jtr n THR 67 Cb 0.42 0.55 0.08 0.00 -2.10 0.00 0.00 70.33 69.28 2jtr n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jtr n HIS 68 N 0.17 0.00 -2.63 4.78 8.25 -1.26 -5.06 115.22 119.47 2jtr n HIS 68 Ca 0.07 -0.78 -0.40 0.00 -0.26 0.00 0.00 57.72 56.35 2jtr n HIS 68 Cb 0.35 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 2jtr n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jtr s VAL 69 N -1.07 3.83 -0.09 1.59 1.01 -1.26 -2.54 120.40 121.86 2jtr s VAL 69 Ca 0.33 1.77 -0.13 0.00 0.00 0.00 0.00 61.98 63.95 2jtr s VAL 69 Cb 0.35 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2jtr s VAL 69 CO -0.12 0.37 0.34 -1.83 0.00 0.00 0.00 175.10 173.86 2jtr s GLU 70 N -1.47 0.49 -0.32 2.72 -1.05 -1.11 -4.96 118.70 112.99 2jtr s GLU 70 Ca 0.45 0.26 -0.29 0.00 -0.15 0.00 0.00 54.97 55.24 2jtr s GLU 70 Cb -0.27 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.66 2jtr s GLU 70 CO 0.34 -0.09 1.21 1.21 0.95 0.00 0.00 175.26 178.88 2jtr s ASN 71 N -0.31 6.76 0.38 0.83 3.04 -1.26 -0.93 114.94 123.44 2jtr s ASN 71 Ca -0.04 1.09 0.08 0.00 0.04 0.00 0.00 52.86 54.03 2jtr s ASN 71 Cb -0.03 -2.54 0.75 0.00 -1.54 0.00 0.00 41.25 37.88 2jtr s ASN 71 CO 0.02 -1.02 1.92 0.00 -3.04 0.00 0.00 177.10 174.98 2jtr h ALA 72 N 8.85 1.50 0.00 1.71 0.00 -1.47 -3.47 119.26 126.38 2jtr h ALA 72 Ca -0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2jtr h ALA 72 Cb 1.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jtr h ALA 72 CO 1.04 0.36 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2jtr n GLY 73 N -0.96 -0.71 3.85 0.00 0.00 -1.26 -4.85 105.19 101.26 2jtr n GLY 73 Ca 0.00 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 2jtr n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtr s GLY 74 N 0.00 1.95 0.20 -0.02 0.00 -1.26 -4.06 107.32 104.12 2jtr s GLY 74 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 44.72 44.66 2jtr s GLY 74 CO 0.00 0.34 1.64 -2.00 0.00 0.00 0.00 173.10 173.08 2jtr h LEU 75 N 0.62 -0.50 -0.17 0.66 7.12 -1.41 -0.69 115.31 120.94 2jtr h LEU 75 Ca -0.46 0.17 -0.22 0.00 0.13 0.00 0.00 57.88 57.50 2jtr h LEU 75 Cb 1.19 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 41.65 2jtr h LEU 75 CO 0.62 -0.18 -0.96 0.50 -0.13 0.00 0.00 178.44 178.29 2jtr h LYS 76 N 0.01 0.24 -0.22 1.25 1.63 -1.94 -3.31 116.57 114.23 2jtr h LYS 76 Ca 0.27 -0.29 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 2jtr h LYS 76 Cb 0.42 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2jtr h LYS 76 CO -0.58 1.03 -0.37 0.22 -3.45 0.00 0.00 179.45 176.31 2jtr h ASP 77 N 0.12 0.51 -2.40 4.20 3.58 -1.65 -3.42 116.42 117.36 2jtr h ASP 77 Ca -0.06 -0.21 -0.55 0.00 0.42 0.00 0.00 57.03 56.62 2jtr h ASP 77 Cb 1.62 -0.14 0.04 0.00 1.72 0.00 0.00 39.33 42.57 2jtr h ASP 77 CO 0.15 0.84 1.03 -0.38 -2.88 0.00 0.00 179.24 177.99 2jtr n ILE 78 N -4.05 0.27 0.21 2.25 5.41 -0.37 -4.90 119.36 118.18 2jtr n ILE 78 Ca -0.01 -0.05 0.09 0.00 1.00 0.00 0.00 62.75 63.78 2jtr n ILE 78 Cb 0.48 -1.94 0.36 0.00 -0.71 0.00 0.00 39.64 37.84 2jtr n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jtr h ALA 79 N 7.84 0.95 -2.96 -1.39 0.00 -1.90 -3.46 119.26 118.34 2jtr h ALA 79 Ca -0.46 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 53.69 2jtr h ALA 79 Cb 1.23 -0.04 0.12 0.00 0.00 0.00 0.00 17.79 19.10 2jtr h ALA 79 CO 0.94 0.29 0.75 -0.12 0.00 0.00 0.00 179.25 181.11 2jtr n MET 80 N -3.30 2.48 -0.77 0.00 0.00 -1.26 -4.95 117.12 109.31 2jtr n MET 80 Ca 0.01 0.88 -0.31 0.00 0.00 0.00 0.00 57.70 58.28 2jtr n MET 80 Cb 0.49 -2.66 0.17 0.00 0.00 0.00 0.00 33.22 31.22 2jtr n MET 80 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2jtr s PRO 81 N -2.28 0.91 0.29 2.12 0.02 -1.26 -4.83 135.00 129.97 2jtr s PRO 81 Ca 0.57 1.36 0.09 0.00 0.02 0.00 0.00 61.00 63.04 2jtr s PRO 81 Cb -0.46 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 2jtr s PRO 81 CO 0.61 -2.64 0.09 0.15 -0.33 0.00 0.00 177.00 174.88 2jtr s LYS 82 N -4.67 2.46 -0.00 5.54 -0.14 -1.26 -0.98 119.74 120.69 2jtr s LYS 82 Ca 0.66 -1.38 0.01 0.00 -1.36 0.00 0.00 55.97 53.89 2jtr s LYS 82 Cb -0.22 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.68 2jtr s LYS 82 CO 0.59 0.28 -0.01 0.14 -0.76 0.00 0.00 175.35 175.58 2jtr s VAL 83 N -2.32 0.14 0.70 3.17 -7.23 -0.17 -4.70 120.40 109.99 2jtr s VAL 83 Ca 0.34 -0.05 -0.15 0.00 -1.81 0.00 0.00 61.98 60.31 2jtr s VAL 83 Cb -0.05 -0.14 0.02 0.00 0.56 0.00 0.00 36.38 36.77 2jtr s VAL 83 CO 0.22 0.05 1.17 -0.54 -0.31 0.00 0.00 175.10 175.69 2jtr s LYS 84 N 0.08 2.40 0.00 4.82 -0.14 -1.26 -1.72 119.74 123.92 2jtr s LYS 84 Ca -0.01 1.61 0.00 0.00 -1.36 0.00 0.00 55.97 56.21 2jtr s LYS 84 Cb -0.02 -1.88 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 2jtr s LYS 84 CO -0.00 -1.60 0.42 0.41 -0.76 0.00 0.00 175.35 173.81