#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 1.22 -0.01 0.00 1.03 -1.26 -1.15 118.70 118.53 2jtr s GLU 2 Ca 0.00 -0.80 -0.05 0.00 0.03 0.00 0.00 54.97 54.15 2jtr s GLU 2 Cb 0.00 0.49 0.00 0.00 -0.80 0.00 0.00 34.13 33.82 2jtr s GLU 2 CO 0.00 -0.50 0.10 -1.01 -1.33 0.00 0.00 175.26 172.52 2jtr s HIS 3 N -3.84 0.01 -0.23 4.83 3.76 -1.17 -4.92 115.29 113.72 2jtr s HIS 3 Ca 0.07 -0.01 -0.08 0.00 -0.15 0.00 0.00 55.06 54.89 2jtr s HIS 3 Cb 0.01 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.63 2jtr s HIS 3 CO -0.07 -0.17 0.08 -1.58 -0.85 0.00 0.00 174.74 172.14 2jtr s TRP 4 N -0.78 3.13 -0.14 1.40 0.52 -1.26 -1.08 118.94 120.74 2jtr s TRP 4 Ca -0.09 -0.24 -0.00 0.00 0.02 0.00 0.00 56.10 55.79 2jtr s TRP 4 Cb -0.05 -2.20 0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2jtr s TRP 4 CO 0.01 -0.20 -0.11 0.42 0.02 0.00 0.00 176.95 177.09 2jtr s ILE 5 N 1.27 1.33 0.01 2.03 1.09 -0.41 -1.89 121.20 124.62 2jtr s ILE 5 Ca 0.05 -0.51 -0.30 0.00 -1.10 0.00 0.00 60.65 58.79 2jtr s ILE 5 Cb -0.15 -1.30 -0.04 0.00 -1.06 0.00 0.00 42.46 39.91 2jtr s ILE 5 CO 0.04 0.39 1.17 -0.62 -0.10 0.00 0.00 174.94 175.83 2jtr s ASP 6 N 1.58 7.10 -0.04 3.58 -1.08 0.08 -2.33 116.67 125.56 2jtr s ASP 6 Ca 0.05 1.89 0.09 0.00 -0.52 0.00 0.00 52.55 54.06 2jtr s ASP 6 Cb -0.13 -2.57 0.24 0.00 -1.46 0.00 0.00 42.92 39.00 2jtr s ASP 6 CO -0.09 -0.49 1.19 1.33 0.52 0.00 0.00 175.17 177.62 2jtr n VAL 7 N 4.21 1.28 -0.78 1.11 0.24 0.13 -1.75 118.33 122.77 2jtr n VAL 7 Ca 0.09 -1.25 -0.30 0.00 -2.04 0.00 0.00 64.34 60.84 2jtr n VAL 7 Cb 0.47 0.32 0.18 0.00 -1.47 0.00 0.00 33.84 33.33 2jtr n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jtr s ARG 8 N -1.45 0.72 0.56 7.34 1.70 -1.26 -1.05 118.95 125.51 2jtr s ARG 8 Ca 0.20 1.26 -0.20 0.00 -0.47 0.00 0.00 55.73 56.52 2jtr s ARG 8 Cb 0.13 -1.71 -0.05 0.00 -0.57 0.00 0.00 34.95 32.74 2jtr s ARG 8 CO 0.09 -2.74 1.12 1.33 -1.08 0.00 0.00 175.30 174.02 2jtr n VAL 9 N -4.28 3.66 0.14 4.99 0.24 -1.26 -4.14 118.33 117.68 2jtr n VAL 9 Ca 0.09 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.92 2jtr n VAL 9 Cb 0.53 -1.34 0.42 0.00 -1.47 0.00 0.00 33.84 31.98 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 0.94 0.20 0.00 7.34 0.13 -1.98 -0.81 132.00 137.82 2jtr h PRO 10 Ca -0.49 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 2jtr h PRO 10 Cb 1.34 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2jtr h PRO 10 CO 0.54 0.32 -0.44 0.93 -0.23 0.00 0.00 178.00 179.13 2jtr h GLU 11 N 0.19 0.00 0.21 0.86 5.08 -2.01 -2.66 114.58 116.25 2jtr h GLU 11 Ca 0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.08 2jtr h GLU 11 Cb 0.33 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.60 2jtr h GLU 11 CO 0.02 0.44 -1.47 1.96 -1.00 0.00 0.00 179.01 178.95 2jtr h GLN 12 N 0.00 0.45 -0.88 2.33 4.20 -1.53 -3.31 115.11 116.37 2jtr h GLN 12 Ca -0.00 -0.77 0.07 0.00 0.06 0.00 0.00 58.65 58.01 2jtr h GLN 12 Cb 0.83 0.29 -0.07 0.00 0.30 0.00 0.00 27.48 28.83 2jtr h GLN 12 CO 0.06 1.36 0.54 -0.92 -0.67 0.00 0.00 178.83 179.20 2jtr h TYR 13 N 0.12 1.00 -0.11 2.96 3.20 -1.22 -1.79 116.97 121.13 2jtr h TYR 13 Ca -0.24 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.69 2jtr h TYR 13 Cb 2.12 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 40.06 2jtr h TYR 13 CO 0.11 0.48 0.08 1.96 -1.64 0.00 0.00 178.16 179.15 2jtr h GLN 14 N 0.96 0.00 0.02 1.82 4.20 -1.56 -3.05 115.11 117.50 2jtr h GLN 14 Ca 0.40 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 2jtr h GLN 14 Cb 0.24 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2jtr h GLN 14 CO -0.20 0.00 -0.01 1.96 -0.67 0.00 0.00 178.83 179.92 2jtr h GLN 15 N 0.00 -0.03 -2.21 1.46 1.08 -1.44 -1.95 115.11 112.02 2jtr h GLN 15 Ca 0.05 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.31 2jtr h GLN 15 Cb 0.21 0.01 -0.17 0.00 -0.05 0.00 0.00 27.48 27.47 2jtr h GLN 15 CO -0.00 0.33 0.40 -1.83 -0.95 0.00 0.00 178.83 176.78 2jtr s GLU 16 N -4.76 0.89 0.13 1.46 1.03 -1.16 -4.47 118.70 111.82 2jtr s GLU 16 Ca -0.15 -0.14 -0.16 0.00 0.03 0.00 0.00 54.97 54.55 2jtr s GLU 16 Cb 0.03 0.42 0.03 0.00 -0.80 0.00 0.00 34.13 33.81 2jtr s GLU 16 CO 0.66 -0.35 0.40 -3.38 -1.33 0.00 0.00 175.26 171.26 2jtr s HIS 17 N -2.49 -0.18 0.45 4.83 -3.43 0.36 -4.65 115.29 110.18 2jtr s HIS 17 Ca 0.00 -0.14 -0.25 0.00 -0.80 0.00 0.00 55.06 53.87 2jtr s HIS 17 Cb -0.01 0.25 -0.08 0.00 -1.43 0.00 0.00 32.58 31.31 2jtr s HIS 17 CO -0.04 -0.71 1.44 0.28 -2.00 0.00 0.00 174.74 173.71 2jtr n VAL 18 N -0.23 2.77 -0.91 -5.38 0.31 -1.26 -0.81 118.33 112.82 2jtr n VAL 18 Ca -0.16 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.35 2jtr n VAL 18 Cb 0.64 -1.86 0.14 0.00 -0.91 0.00 0.00 33.84 31.85 2jtr n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jtr n GLN 19 N -0.17 -0.12 -3.16 5.55 6.02 -0.44 -4.10 117.38 120.95 2jtr n GLN 19 Ca 0.05 0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 2jtr n GLN 19 Cb 0.41 -2.30 0.05 0.00 1.02 0.00 0.00 30.24 29.43 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtr n GLY 20 N 0.65 -0.00 3.31 1.08 0.00 -1.26 -5.02 105.19 103.95 2jtr n GLY 20 Ca 0.12 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.21 1.60 0.31 4.61 0.00 -1.26 -4.55 121.76 119.26 2jtr s ALA 21 Ca 0.33 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.38 2jtr s ALA 21 Cb -0.14 1.42 -0.06 0.00 0.00 0.00 0.00 23.12 24.33 2jtr s ALA 21 CO 0.46 -0.68 0.07 -1.50 0.00 0.00 0.00 175.76 174.11 2jtr s ILE 22 N -3.46 1.02 -0.07 0.00 2.07 -0.79 -5.02 121.20 114.95 2jtr s ILE 22 Ca 0.39 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.66 2jtr s ILE 22 Cb 0.02 -2.75 0.01 0.00 0.13 0.00 0.00 42.46 39.87 2jtr s ILE 22 CO 0.25 -0.01 -0.16 0.21 -1.91 0.00 0.00 174.94 173.32 2jtr s ASN 23 N -3.44 2.15 -0.36 4.50 3.84 -1.26 -0.74 114.94 119.63 2jtr s ASN 23 Ca 0.37 -0.37 0.01 0.00 0.21 0.00 0.00 52.86 53.08 2jtr s ASN 23 Cb 0.08 -0.91 0.15 0.00 -0.55 0.00 0.00 41.25 40.02 2jtr s ASN 23 CO 0.15 0.09 0.25 -0.63 -2.79 0.00 0.00 177.10 174.17 2jtr s ILE 24 N 0.46 0.07 0.74 -5.21 1.01 -0.72 -4.97 121.20 112.58 2jtr s ILE 24 Ca -0.13 -1.68 -0.16 0.00 0.00 0.00 0.00 60.65 58.68 2jtr s ILE 24 Cb -0.15 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2jtr s ILE 24 CO 0.05 -0.94 0.71 -2.65 0.00 0.00 0.00 174.94 172.10 2jtr n PRO 25 N 3.96 0.34 -0.22 2.79 -0.02 -1.26 -4.33 135.00 136.26 2jtr n PRO 25 Ca 0.14 0.16 0.18 0.00 -2.02 0.00 0.00 63.50 61.96 2jtr n PRO 25 Cb 0.39 -2.00 0.51 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.41 0.40 -0.70 2.45 5.85 -1.32 0.23 115.31 121.81 2jtr h LEU 26 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2jtr h LEU 26 Cb 1.34 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2jtr h LEU 26 CO 0.44 0.18 0.00 0.29 -0.34 0.00 0.00 178.44 179.01 2jtr n LYS 27 N -4.50 0.18 0.00 1.25 5.02 -1.26 -3.75 118.16 115.10 2jtr n LYS 27 Ca 0.18 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2jtr n LYS 27 Cb 0.64 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.20 1.97 -0.31 1.97 -0.58 0.44 -4.83 120.64 117.11 2jtr n GLU 28 Ca 0.02 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.80 2jtr n GLU 28 Cb 0.21 -0.93 0.24 0.00 -0.57 0.00 0.00 31.44 30.39 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 1.07 -0.21 2.62 3.04 -0.79 -0.53 116.25 121.45 2jtr h VAL 29 Ca 0.00 -0.36 0.06 0.00 -1.01 0.00 0.00 66.70 65.40 2jtr h VAL 29 Cb 0.37 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.58 2jtr h VAL 29 CO 0.00 0.19 0.18 0.50 -1.01 0.00 0.00 177.57 177.43 2jtr h LYS 30 N 1.04 0.00 -0.01 4.17 3.64 -1.86 0.20 116.57 123.76 2jtr h LYS 30 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2jtr h LYS 30 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jtr h LYS 30 CO -0.15 0.00 -0.60 0.39 -2.27 0.00 0.00 179.45 176.82 2jtr n GLU 31 N -4.16 0.88 0.00 1.90 -0.58 -0.22 -4.70 120.64 113.76 2jtr n GLU 31 Ca 0.02 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 2jtr n GLU 31 Cb 0.32 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 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 -0.43 3.69 -0.08 3.49 0.63 -0.66 -4.79 116.66 118.49 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 0.43 -0.56 0.27 0.00 0.45 0.00 0.00 32.46 33.05 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 1.19 -0.07 5.15 6.09 -1.26 -0.92 117.51 127.69 2jtr h ILE 33 Ca 0.00 -0.63 -0.00 0.00 -1.37 0.00 0.00 64.86 62.86 2jtr h ILE 33 Cb 0.04 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 37.96 2jtr h ILE 33 CO 0.00 0.24 0.03 0.00 -3.07 0.00 0.00 178.15 175.35 2jtr h ALA 34 N 1.49 1.93 0.10 0.18 0.00 -1.80 0.16 119.26 121.32 2jtr h ALA 34 Ca 0.17 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2jtr h ALA 34 Cb 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jtr h ALA 34 CO -0.01 0.06 -0.66 1.15 0.00 0.00 0.00 179.25 179.79 2jtr h THR 35 N 0.09 1.54 -0.10 0.00 2.02 -1.56 -3.17 112.91 111.73 2jtr h THR 35 Ca 0.02 -2.43 -0.18 0.00 0.77 0.00 0.00 66.41 64.59 2jtr h THR 35 Cb 0.02 3.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2jtr h THR 35 CO -0.00 0.68 -0.70 0.00 0.37 0.00 0.00 175.52 175.87 2jtr h ALA 36 N 0.11 0.61 -2.28 6.16 0.00 -0.72 -3.38 119.26 119.76 2jtr h ALA 36 Ca -0.11 -0.59 -0.58 0.00 0.00 0.00 0.00 54.91 53.63 2jtr h ALA 36 Cb 1.49 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.83 2jtr h ALA 36 CO 0.12 0.74 -0.99 0.28 0.00 0.00 0.00 179.25 179.41 2jtr n VAL 37 N -3.87 -0.81 0.27 0.00 0.31 0.52 -4.98 118.33 109.77 2jtr n VAL 37 Ca -0.04 -3.73 0.16 0.00 -0.01 0.00 0.00 64.34 60.72 2jtr n VAL 37 Cb 0.69 -1.79 0.64 0.00 -0.91 0.00 0.00 33.84 32.47 2jtr n VAL 37 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jtr h PRO 38 N 5.06 0.00 -6.08 5.55 0.13 -1.73 -3.41 132.00 131.53 2jtr h PRO 38 Ca 0.20 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.81 2jtr h PRO 38 Cb 0.89 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.98 2jtr h PRO 38 CO 0.43 0.03 1.30 0.34 -0.23 0.00 0.00 178.00 179.88 2jtr s ASP 39 N -5.79 5.48 0.00 1.44 2.15 -1.26 -4.86 116.67 113.83 2jtr s ASP 39 Ca 0.01 0.41 0.09 0.00 0.43 0.00 0.00 52.55 53.49 2jtr s ASP 39 Cb 0.09 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.56 2jtr s ASP 39 CO 0.56 -2.20 1.28 0.29 -0.17 0.00 0.00 175.17 174.93 2jtr n LYS 40 N 9.05 0.00 -0.29 4.34 4.76 -1.26 -1.77 118.16 132.99 2jtr n LYS 40 Ca 0.19 0.34 0.07 0.00 -2.87 0.00 0.00 58.31 56.04 2jtr n LYS 40 Cb 0.51 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.40 2jtr n LYS 40 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jtr n ASN 41 N -1.50 3.37 -4.76 4.39 5.15 -1.26 -1.63 115.26 119.02 2jtr n ASN 41 Ca 0.02 -2.28 -0.36 0.00 -0.60 0.00 0.00 54.58 51.35 2jtr n ASN 41 Cb 0.10 -0.35 0.02 0.00 -0.53 0.00 0.00 39.78 39.02 2jtr n ASN 41 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jtr s ASP 42 N -1.22 5.53 -1.19 1.20 2.15 -0.73 -4.95 116.67 117.47 2jtr s ASP 42 Ca 0.31 2.37 -0.20 0.00 0.43 0.00 0.00 52.55 55.47 2jtr s ASP 42 Cb 0.20 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 40.27 2jtr s ASP 42 CO 0.16 -1.36 1.67 -0.89 -0.17 0.00 0.00 175.17 174.58 2jtr s THR 43 N -1.58 3.99 -0.35 1.71 2.01 -0.30 -4.68 115.64 116.44 2jtr s THR 43 Ca 0.73 -1.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.01 2jtr s THR 43 Cb -0.30 -5.07 -0.02 0.00 0.01 0.00 0.00 72.50 67.12 2jtr s THR 43 CO 0.34 -1.89 1.79 -0.69 -0.69 0.00 0.00 174.62 173.48 2jtr s VAL 44 N 5.16 3.48 -0.21 3.82 1.01 -1.25 -3.02 120.40 129.40 2jtr s VAL 44 Ca 0.53 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 2jtr s VAL 44 Cb 0.02 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2jtr s VAL 44 CO 0.03 -0.46 0.21 -0.54 0.00 0.00 0.00 175.10 174.34 2jtr s LYS 45 N 5.74 4.16 0.00 2.72 1.02 -0.24 -1.14 119.74 132.01 2jtr s LYS 45 Ca 0.78 -0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.70 2jtr s LYS 45 Cb -0.21 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2jtr s LYS 45 CO 0.33 0.16 -0.16 0.14 -0.92 0.00 0.00 175.35 174.90 2jtr s VAL 46 N 0.75 1.25 0.27 3.17 -7.23 -0.07 -1.29 120.40 117.24 2jtr s VAL 46 Ca 0.11 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 59.42 2jtr s VAL 46 Cb -0.13 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 2jtr s VAL 46 CO 0.03 0.27 0.43 -0.72 -0.31 0.00 0.00 175.10 174.79 2jtr s TYR 47 N -0.50 0.68 0.00 2.82 1.13 -0.98 -0.92 117.35 119.57 2jtr s TYR 47 Ca 0.05 -0.99 0.00 0.00 -1.41 0.00 0.00 57.07 54.73 2jtr s TYR 47 Cb -0.07 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 2jtr s TYR 47 CO -0.00 -0.99 0.00 0.00 -2.51 0.00 0.00 175.55 172.05 2jtr h ASN 49 N 0.00 0.43 0.00 0.00 -1.24 -1.95 0.00 115.58 112.82 2jtr h ASN 49 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 2jtr h ASN 49 Cb 0.00 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.94 2jtr h ASN 49 CO 0.00 0.37 -0.31 0.00 -1.29 0.00 0.00 177.43 176.20 2jtr n ALA 50 N -2.23 1.95 0.00 1.57 0.00 -1.26 -3.02 120.51 117.53 2jtr n ALA 50 Ca -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2jtr n ALA 50 Cb 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.36 2.86 0.07 0.00 0.00 -1.26 -4.90 105.19 101.61 2jtr n GLY 51 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 2.02 -0.05 -0.33 1.61 2.47 -1.93 -0.83 114.38 117.34 2jtr h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2jtr h ARG 52 Cb 0.00 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2jtr h ARG 52 CO 0.00 0.32 0.22 1.96 0.56 0.00 0.00 179.97 183.03 2jtr h GLN 53 N -0.44 0.43 0.03 0.04 7.50 -1.90 0.25 115.11 121.03 2jtr h GLN 53 Ca -0.01 -0.03 -0.26 0.00 0.50 0.00 0.00 58.65 58.86 2jtr h GLN 53 Cb 0.40 -0.10 0.02 0.00 0.05 0.00 0.00 27.48 27.85 2jtr h GLN 53 CO 0.01 0.29 -1.02 0.66 -1.50 0.00 0.00 178.83 177.27 2jtr h SER 54 N 0.45 0.84 -0.56 1.46 4.64 -1.77 0.12 113.55 118.73 2jtr h SER 54 Ca 0.12 -0.77 -0.02 0.00 -0.47 0.00 0.00 61.79 60.65 2jtr h SER 54 Cb -0.05 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.76 2jtr h SER 54 CO -0.03 1.50 0.26 1.23 -0.87 0.00 0.00 176.83 178.93 2jtr h GLY 55 N 0.26 0.88 0.89 -0.77 0.00 -0.72 -0.88 103.07 102.73 2jtr h GLY 55 Ca -0.14 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 46.77 2jtr h GLY 55 CO 0.20 0.42 0.18 1.46 0.00 0.00 0.00 176.54 178.80 2jtr h GLN 56 N 0.76 0.36 -0.60 4.80 4.20 -0.97 -2.91 115.11 120.75 2jtr h GLN 56 Ca 0.19 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 2jtr h GLN 56 Cb 0.13 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2jtr h GLN 56 CO -0.02 0.24 0.22 0.00 -0.67 0.00 0.00 178.83 178.59 2jtr h ALA 57 N 1.16 1.26 -0.56 3.87 0.00 -0.37 -2.49 119.26 122.12 2jtr h ALA 57 Ca 0.13 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jtr h ALA 57 Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2jtr h ALA 57 CO -0.08 0.54 0.38 -0.22 0.00 0.00 0.00 179.25 179.87 2jtr h LYS 58 N 0.86 0.47 0.40 0.00 3.64 -0.96 -0.24 116.57 120.73 2jtr h LYS 58 Ca 0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2jtr h LYS 58 Cb 0.20 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2jtr h LYS 58 CO -0.01 0.31 -0.19 0.93 -2.27 0.00 0.00 179.45 178.21 2jtr h GLU 59 N 0.48 -0.51 -0.04 1.90 5.08 -1.45 -1.00 114.58 119.04 2jtr h GLU 59 Ca 0.25 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2jtr h GLU 59 Cb 0.36 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2jtr h GLU 59 CO -0.07 -0.25 -0.40 -0.84 -1.00 0.00 0.00 179.01 176.46 2jtr h ILE 60 N -0.71 1.30 -0.67 3.13 3.07 -1.52 -0.84 117.51 121.28 2jtr h ILE 60 Ca -0.05 -1.42 -0.07 0.00 1.55 0.00 0.00 64.86 64.86 2jtr h ILE 60 Cb 0.50 1.71 -0.03 0.00 -0.27 0.00 0.00 36.82 38.74 2jtr h ILE 60 CO 0.09 0.41 0.13 -0.07 -1.05 0.00 0.00 178.15 177.67 2jtr h LEU 61 N 0.08 1.03 -0.53 0.16 3.38 -0.99 0.67 115.31 119.11 2jtr h LEU 61 Ca 0.01 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2jtr h LEU 61 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2jtr h LEU 61 CO 0.06 1.02 -0.00 0.28 0.09 0.00 0.00 178.44 179.88 2jtr h SER 62 N 1.01 0.93 -0.34 -0.43 0.02 -0.60 -1.78 113.55 112.35 2jtr h SER 62 Ca 0.21 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 2jtr h SER 62 Cb 0.41 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2jtr h SER 62 CO 0.01 1.01 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.35 2jtr h GLU 63 N 0.82 0.72 0.00 3.45 4.39 -0.91 -1.13 114.58 121.92 2jtr h GLU 63 Ca 0.15 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jtr h GLU 63 Cb 0.53 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2jtr h GLU 63 CO 0.03 0.76 0.00 -1.33 -1.16 0.00 0.00 179.01 177.30 2jtr n MET 64 N -4.21 0.48 -0.63 2.33 2.81 0.20 -4.90 117.12 113.20 2jtr n MET 64 Ca 0.02 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2jtr n MET 64 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2jtr n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jtr n GLY 65 N 0.39 0.63 3.72 3.03 0.00 -0.43 -5.03 105.19 107.49 2jtr n GLY 65 Ca 0.13 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 3.05 0.34 1.61 1.51 -0.72 -4.90 117.35 116.23 2jtr s TYR 66 Ca 0.00 0.60 0.06 0.00 -1.01 0.00 0.00 57.07 56.72 2jtr s TYR 66 Cb 0.00 -3.94 0.60 0.00 -0.11 0.00 0.00 41.96 38.51 2jtr s TYR 66 CO 0.00 -3.49 1.84 1.79 -1.11 0.00 0.00 175.55 174.58 2jtr h THR 67 N 4.00 1.22 -2.90 -0.71 1.35 -1.63 -3.42 112.91 110.82 2jtr h THR 67 Ca -0.43 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 64.41 2jtr h THR 67 Cb 1.20 1.18 -0.17 0.00 -1.73 0.00 0.00 68.15 68.63 2jtr h THR 67 CO 0.92 0.31 -0.05 -1.38 -0.25 0.00 0.00 175.52 175.06 2jtr s HIS 68 N -4.72 -0.33 -0.04 4.73 -3.43 -1.26 -5.11 115.29 105.12 2jtr s HIS 68 Ca -0.06 0.35 -0.12 0.00 -0.80 0.00 0.00 55.06 54.42 2jtr s HIS 68 Cb 0.15 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.58 2jtr s HIS 68 CO 0.76 -0.59 0.27 0.08 -2.00 0.00 0.00 174.74 173.26 2jtr s VAL 69 N -2.36 0.04 -0.10 -5.38 1.01 -1.26 -3.93 120.40 108.41 2jtr s VAL 69 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2jtr s VAL 69 Cb -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.88 2jtr s VAL 69 CO -0.01 -0.19 -0.08 -1.61 0.00 0.00 0.00 175.10 173.20 2jtr s GLU 70 N -0.83 1.55 -0.57 2.72 2.02 -0.29 -4.98 118.70 118.32 2jtr s GLU 70 Ca -0.09 -0.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.34 2jtr s GLU 70 Cb -0.05 -1.54 0.01 0.00 0.10 0.00 0.00 34.13 32.66 2jtr s GLU 70 CO 0.02 -0.21 1.41 1.21 0.02 0.00 0.00 175.26 177.72 2jtr s ASN 71 N 1.49 6.13 0.47 -0.19 3.04 -1.26 -0.89 114.94 123.73 2jtr s ASN 71 Ca 0.01 0.26 0.19 0.00 0.04 0.00 0.00 52.86 53.36 2jtr s ASN 71 Cb -0.13 -2.55 1.14 0.00 -1.54 0.00 0.00 41.25 38.17 2jtr s ASN 71 CO -0.06 -1.71 2.01 0.00 -3.04 0.00 0.00 177.10 174.29 2jtr h ALA 72 N 11.04 1.52 0.00 1.71 0.00 -1.38 -3.47 119.26 128.67 2jtr h ALA 72 Ca -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jtr h ALA 72 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jtr h ALA 72 CO 1.18 0.22 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2jtr n GLY 73 N -0.85 0.10 3.37 0.00 0.00 -1.26 -4.87 105.19 101.69 2jtr n GLY 73 Ca -0.02 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 1.67 0.20 -0.02 0.00 -1.26 -4.05 107.32 103.86 2jtr s GLY 74 Ca 0.00 -1.82 -0.13 0.00 0.00 0.00 0.00 44.72 42.76 2jtr s GLY 74 CO 0.00 -1.74 1.65 -2.00 0.00 0.00 0.00 173.10 171.01 2jtr h LEU 75 N 2.39 -0.40 -0.63 0.66 7.12 -0.89 -0.56 115.31 122.99 2jtr h LEU 75 Ca -0.39 0.15 -0.14 0.00 0.13 0.00 0.00 57.88 57.64 2jtr h LEU 75 Cb 1.23 0.30 -0.01 0.00 -0.53 0.00 0.00 40.66 41.65 2jtr h LEU 75 CO 0.66 -0.15 -0.42 0.50 -0.13 0.00 0.00 178.44 178.90 2jtr h LYS 76 N 0.05 0.59 -0.05 1.25 3.64 -1.87 -3.27 116.57 116.91 2jtr h LYS 76 Ca 0.28 -0.31 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 2jtr h LYS 76 Cb 0.44 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2jtr h LYS 76 CO -0.53 0.90 -0.89 0.22 -2.27 0.00 0.00 179.45 176.88 2jtr h ASP 77 N 0.49 0.68 -2.71 4.20 3.58 -1.52 -3.43 116.42 117.71 2jtr h ASP 77 Ca 0.04 -0.51 -0.53 0.00 0.42 0.00 0.00 57.03 56.45 2jtr h ASP 77 Cb 0.93 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 41.80 2jtr h ASP 77 CO 0.08 1.29 0.98 -0.63 -2.88 0.00 0.00 179.24 178.09 2jtr s ILE 78 N -3.45 3.07 -0.35 2.25 1.01 -0.41 -4.91 121.20 118.41 2jtr s ILE 78 Ca -0.07 0.53 0.25 0.00 0.00 0.00 0.00 60.65 61.35 2jtr s ILE 78 Cb 0.09 -3.34 0.35 0.00 0.01 0.00 0.00 42.46 39.57 2jtr s ILE 78 CO 0.88 -0.00 1.68 0.00 0.00 0.00 0.00 174.94 177.50 2jtr h ALA 79 N 8.23 1.00 -2.58 9.38 0.00 -1.88 -3.47 119.26 129.94 2jtr h ALA 79 Ca -0.42 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 2jtr h ALA 79 Cb 1.20 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.14 2jtr h ALA 79 CO 0.93 0.00 0.37 -1.64 0.00 0.00 0.00 179.25 178.90 2jtr s MET 80 N -3.29 2.13 0.93 0.00 -1.94 -1.26 -5.01 119.30 110.87 2jtr s MET 80 Ca 0.06 1.64 -0.12 0.00 -1.71 0.00 0.00 55.69 55.56 2jtr s MET 80 Cb 0.06 -1.85 0.15 0.00 2.01 0.00 0.00 34.83 35.20 2jtr s MET 80 CO 0.64 -1.81 1.09 -1.25 -0.01 0.00 0.00 175.02 173.68 2jtr s PRO 81 N -4.08 0.97 0.16 2.03 0.04 -1.26 -4.86 135.00 128.00 2jtr s PRO 81 Ca 0.71 0.81 0.07 0.00 0.04 0.00 0.00 61.00 62.63 2jtr s PRO 81 Cb -0.26 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2jtr s PRO 81 CO 0.47 -2.44 -0.16 0.15 0.04 0.00 0.00 177.00 175.06 2jtr s LYS 82 N -4.89 1.22 0.08 4.56 3.01 -1.26 -1.33 119.74 121.12 2jtr s LYS 82 Ca 0.64 -1.42 -0.05 0.00 -1.01 0.00 0.00 55.97 54.14 2jtr s LYS 82 Cb -0.19 -1.13 -0.02 0.00 -1.01 0.00 0.00 37.83 35.48 2jtr s LYS 82 CO 0.58 0.21 0.09 0.14 0.51 0.00 0.00 175.35 176.88 2jtr s VAL 83 N -2.38 0.17 0.62 3.17 -7.23 0.01 -4.85 120.40 109.91 2jtr s VAL 83 Ca 0.16 -1.51 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 2jtr s VAL 83 Cb -0.04 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2jtr s VAL 83 CO 0.05 -0.76 1.14 0.29 -0.31 0.00 0.00 175.10 175.52 2jtr n LYS 84 N -0.00 1.05 0.00 4.82 4.01 -1.26 -0.49 118.16 126.29 2jtr n LYS 84 Ca -0.13 0.41 0.13 0.00 -0.51 0.00 0.00 58.31 58.20 2jtr n LYS 84 Cb 0.62 -2.36 0.75 0.00 -0.51 0.00 0.00 35.03 33.53 2jtr n LYS 84 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70