#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt8 n ALA 2 N 0.00 4.52 -3.84 3.17 0.00 -1.26 -4.97 120.51 118.14 1jt8 n ALA 2 Ca 0.00 -3.55 -0.34 0.00 0.00 0.00 0.00 53.44 49.55 1jt8 n ALA 2 Cb 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 1jt8 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jt8 s GLU 3 N -3.45 2.38 0.00 0.00 2.12 -1.26 -4.81 118.70 113.68 1jt8 s GLU 3 Ca 0.46 -1.28 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1jt8 s GLU 3 Cb 0.40 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.75 1jt8 s GLU 3 CO -0.01 -0.58 0.00 0.94 -0.54 0.00 0.00 175.26 175.07 1jt8 n GLN 4 N 4.54 0.00 -1.64 4.30 -0.06 -1.26 -5.10 117.38 118.16 1jt8 n GLN 4 Ca -0.14 0.00 -0.48 0.00 -2.00 0.00 0.00 57.00 54.39 1jt8 n GLN 4 Cb 0.43 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.56 1jt8 n GLN 4 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1jt8 n GLN 5 N -1.38 2.08 -1.78 3.69 3.00 -1.26 -4.83 117.38 116.90 1jt8 n GLN 5 Ca 0.00 0.73 0.01 0.00 -0.01 0.00 0.00 57.00 57.73 1jt8 n GLN 5 Cb 0.00 -2.72 0.06 0.00 0.00 0.00 0.00 30.24 27.58 1jt8 n GLN 5 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1jt8 n GLN 6 N 7.15 1.02 -3.96 -1.09 7.27 -1.26 -5.03 117.38 121.47 1jt8 n GLN 6 Ca 0.25 -2.79 -0.30 0.00 0.07 0.00 0.00 57.00 54.23 1jt8 n GLN 6 Cb 0.31 -0.88 -0.16 0.00 2.41 0.00 0.00 30.24 31.93 1jt8 n GLN 6 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1jt8 s GLU 7 N -1.84 1.78 -0.24 3.69 8.01 -1.26 -5.10 118.70 123.74 1jt8 s GLU 7 Ca 0.34 -0.92 -0.02 0.00 0.01 0.00 0.00 54.97 54.39 1jt8 s GLU 7 Cb 0.37 -2.50 0.02 0.00 -4.31 0.00 0.00 34.13 27.71 1jt8 s GLU 7 CO -0.10 -0.52 -0.07 -0.65 0.01 0.00 0.00 175.26 173.92 1jt8 s GLN 8 N 1.40 2.93 0.48 1.61 -1.52 -1.26 -5.11 119.66 118.19 1jt8 s GLN 8 Ca -0.04 -0.91 0.03 0.00 -1.95 0.00 0.00 55.36 52.49 1jt8 s GLN 8 Cb -0.18 -2.95 0.02 0.00 -0.22 0.00 0.00 33.01 29.68 1jt8 s GLN 8 CO -0.07 -0.35 0.68 -1.14 -0.25 0.00 0.00 175.29 174.16 1jt8 s GLN 9 N 1.34 2.78 -1.33 2.91 0.74 -1.26 -4.99 119.66 119.85 1jt8 s GLN 9 Ca 0.01 -0.81 -0.13 0.00 0.05 0.00 0.00 55.36 54.49 1jt8 s GLN 9 Cb -0.16 -2.59 0.11 0.00 1.10 0.00 0.00 33.01 31.48 1jt8 s GLN 9 CO -0.05 -0.44 1.92 1.51 -0.55 0.00 0.00 175.29 177.68 1jt8 n ILE 10 N -2.12 3.98 -2.64 -2.34 0.13 -1.26 -4.98 119.36 110.13 1jt8 n ILE 10 Ca 0.05 -3.93 -0.36 0.00 -1.10 0.00 0.00 62.75 57.41 1jt8 n ILE 10 Cb 0.59 -2.46 -0.05 0.00 -0.84 0.00 0.00 39.64 36.88 1jt8 n ILE 10 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1jt8 s ARG 11 N 2.00 4.29 0.04 9.51 3.03 -1.26 -4.89 118.95 131.67 1jt8 s ARG 11 Ca 0.44 1.42 0.00 0.00 2.03 0.00 0.00 55.73 59.62 1jt8 s ARG 11 Cb 0.09 -2.58 0.00 0.00 -1.03 0.00 0.00 34.95 31.43 1jt8 s ARG 11 CO -0.02 -0.01 0.00 1.33 -1.13 0.00 0.00 175.30 175.47 1jt8 n VAL 12 N 0.05 0.00 -3.21 4.99 0.24 -1.26 -4.91 118.33 114.22 1jt8 n VAL 12 Ca 0.04 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.44 1jt8 n VAL 12 Cb 0.50 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 1jt8 n VAL 12 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jt8 n ARG 13 N 0.00 -1.37 -3.66 7.34 5.12 -1.26 -4.94 116.66 117.90 1jt8 n ARG 13 Ca 0.00 0.90 -0.07 0.00 -1.93 0.00 0.00 57.85 56.75 1jt8 n ARG 13 Cb 0.00 -1.67 -0.08 0.00 -1.16 0.00 0.00 32.46 29.55 1jt8 n ARG 13 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1jt8 s ILE 14 N -1.06 -0.25 -0.02 0.55 2.07 -1.26 -5.03 121.20 116.19 1jt8 s ILE 14 Ca 0.00 0.04 0.17 0.00 -1.41 0.00 0.00 60.65 59.45 1jt8 s ILE 14 Cb 0.00 -0.87 0.09 0.00 0.13 0.00 0.00 42.46 41.81 1jt8 s ILE 14 CO 0.00 0.02 1.56 1.55 -1.91 0.00 0.00 174.94 176.16 1jt8 h PRO 15 N 7.33 0.00 -6.26 3.50 0.13 -2.01 -3.44 132.00 131.25 1jt8 h PRO 15 Ca -0.28 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.30 1jt8 h PRO 15 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1jt8 h PRO 15 CO 0.18 0.46 1.26 1.03 -0.23 0.00 0.00 178.00 180.69 1jt8 s ARG 16 N -3.21 3.90 -0.44 0.86 1.81 -1.26 -4.88 118.95 115.72 1jt8 s ARG 16 Ca 0.02 2.33 0.06 0.00 -1.72 0.00 0.00 55.73 56.42 1jt8 s ARG 16 Cb 0.09 -4.17 0.42 0.00 -0.45 0.00 0.00 34.95 30.84 1jt8 s ARG 16 CO 0.72 -1.22 1.09 1.63 -0.68 0.00 0.00 175.30 176.84 1jt8 n LYS 17 N 7.76 3.29 0.17 3.54 5.02 -1.26 -4.85 118.16 131.82 1jt8 n LYS 17 Ca 0.21 -4.47 -0.08 0.00 -2.02 0.00 0.00 58.31 51.96 1jt8 n LYS 17 Cb 0.43 -2.20 -0.04 0.00 -0.02 0.00 0.00 35.03 33.20 1jt8 n LYS 17 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1jt8 h GLU 18 N 2.63 -0.49 0.00 1.97 3.07 -2.00 -3.48 114.58 116.28 1jt8 h GLU 18 Ca 0.27 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1jt8 h GLU 18 Cb 0.91 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1jt8 h GLU 18 CO 0.83 -0.33 0.00 -1.91 -1.40 0.00 0.00 179.01 176.20 1jt8 n GLU 19 N -5.11 0.00 -3.64 2.33 2.13 -1.26 -5.14 120.64 109.95 1jt8 n GLU 19 Ca -0.06 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.70 1jt8 n GLU 19 Cb 0.20 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.84 1jt8 n GLU 19 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1jt8 s ASN 20 N -2.00 -0.67 0.37 4.31 4.22 -1.26 -5.18 114.94 114.74 1jt8 s ASN 20 Ca 0.00 1.12 0.07 0.00 -2.14 0.00 0.00 52.86 51.91 1jt8 s ASN 20 Cb 0.00 1.24 -0.01 0.00 1.28 0.00 0.00 41.25 43.76 1jt8 s ASN 20 CO 0.00 -0.18 0.42 -1.61 -2.04 0.00 0.00 177.10 173.69 1jt8 s GLU 21 N 1.19 2.81 0.29 3.55 8.01 -1.26 -4.83 118.70 128.46 1jt8 s GLU 21 Ca -0.07 -1.26 0.10 0.00 0.01 0.00 0.00 54.97 53.75 1jt8 s GLU 21 Cb -0.04 -2.61 -0.05 0.00 -4.31 0.00 0.00 34.13 27.12 1jt8 s GLU 21 CO -0.14 -0.07 -0.01 0.96 0.01 0.00 0.00 175.26 176.01 1jt8 s ILE 22 N -2.32 3.06 -0.11 -1.63 -4.36 -1.12 -5.03 121.20 109.68 1jt8 s ILE 22 Ca 0.47 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 1jt8 s ILE 22 Cb -0.07 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.89 1jt8 s ILE 22 CO 0.30 -0.31 -0.12 -0.22 0.24 0.00 0.00 174.94 174.82 1jt8 s LEU 23 N -3.68 1.53 0.11 0.37 1.98 -1.20 -2.62 118.68 115.17 1jt8 s LEU 23 Ca 0.33 -0.38 -0.02 0.00 -2.89 0.00 0.00 54.13 51.17 1jt8 s LEU 23 Cb -0.04 -0.99 -0.04 0.00 0.66 0.00 0.00 46.19 45.78 1jt8 s LEU 23 CO 0.19 -0.04 0.05 -0.83 -1.89 0.00 0.00 176.35 173.83 1jt8 s GLY 24 N 1.29 0.79 0.04 7.98 0.00 -0.96 -0.65 107.32 115.81 1jt8 s GLY 24 Ca -0.01 -1.34 -0.05 0.00 0.00 0.00 0.00 44.72 43.31 1jt8 s GLY 24 CO -0.05 -1.31 0.28 -0.26 0.00 0.00 0.00 173.10 171.76 1jt8 s ILE 25 N -4.00 5.29 0.06 0.90 -4.36 -0.26 -1.76 121.20 117.06 1jt8 s ILE 25 Ca 0.18 0.04 -0.03 0.00 -0.26 0.00 0.00 60.65 60.58 1jt8 s ILE 25 Cb 0.07 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 1jt8 s ILE 25 CO -0.02 0.26 0.25 0.27 0.24 0.00 0.00 174.94 175.94 1jt8 s ILE 26 N -1.41 5.34 -0.03 8.37 -4.36 -0.61 -2.76 121.20 125.73 1jt8 s ILE 26 Ca 0.32 -0.17 -0.01 0.00 -0.26 0.00 0.00 60.65 60.53 1jt8 s ILE 26 Cb -0.13 -3.60 0.03 0.00 1.25 0.00 0.00 42.46 40.01 1jt8 s ILE 26 CO 0.20 0.19 0.06 -0.70 0.24 0.00 0.00 174.94 174.93 1jt8 s GLU 27 N -2.32 -0.01 0.40 0.37 2.12 -0.78 -2.87 118.70 115.62 1jt8 s GLU 27 Ca 0.34 0.23 -0.27 0.00 0.36 0.00 0.00 54.97 55.63 1jt8 s GLU 27 Cb -0.13 -0.23 -0.10 0.00 0.26 0.00 0.00 34.13 33.93 1jt8 s GLU 27 CO 0.24 -0.17 1.41 0.00 -0.54 0.00 0.00 175.26 176.20 1jt8 n GLN 28 N 4.17 2.35 0.00 4.30 10.64 -1.26 -2.30 117.38 135.29 1jt8 n GLN 28 Ca -0.27 0.83 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1jt8 n GLN 28 Cb 0.51 -2.56 0.00 0.00 -0.86 0.00 0.00 30.24 27.32 1jt8 n GLN 28 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 1jt8 n MET 29 N 0.21 2.58 -0.05 2.61 1.56 -1.26 -4.74 117.12 118.03 1jt8 n MET 29 Ca 0.04 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.44 1jt8 n MET 29 Cb 0.39 0.00 0.21 0.00 2.15 0.00 0.00 33.22 35.97 1jt8 n MET 29 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1jt8 h LEU 30 N 0.00 0.61 0.00 -0.89 4.07 -1.95 -3.48 115.31 113.67 1jt8 h LEU 30 Ca 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1jt8 h LEU 30 Cb 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1jt8 h LEU 30 CO 0.00 0.73 0.00 0.61 -1.08 0.00 0.00 178.44 178.70 1jt8 n GLY 31 N -0.64 0.86 2.03 0.83 0.00 -1.26 -5.11 105.19 101.90 1jt8 n GLY 31 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1jt8 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jt8 n ALA 32 N 0.00 2.17 0.00 4.61 0.00 -1.26 -5.08 120.51 120.95 1jt8 n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jt8 n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jt8 n ALA 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jt8 n SER 33 N -2.98 0.00 -4.88 0.00 7.64 -1.26 -5.12 113.62 107.02 1jt8 n SER 33 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1jt8 n SER 33 Cb 0.00 0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.44 1jt8 n SER 33 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jt8 s ARG 34 N -1.60 3.50 0.28 1.43 0.52 -1.26 -4.39 118.95 117.42 1jt8 s ARG 34 Ca 0.00 -0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.16 1jt8 s ARG 34 Cb 0.00 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1jt8 s ARG 34 CO 0.00 0.74 0.41 0.08 0.02 0.00 0.00 175.30 176.55 1jt8 s VAL 35 N -1.12 4.71 -0.17 3.52 1.01 -0.86 -4.66 120.40 122.83 1jt8 s VAL 35 Ca 0.19 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1jt8 s VAL 35 Cb -0.13 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1jt8 s VAL 35 CO 0.09 -0.25 0.21 0.00 0.00 0.00 0.00 175.10 175.15 1jt8 s ARG 36 N -4.07 4.15 0.07 2.72 1.70 -0.97 -1.56 118.95 120.98 1jt8 s ARG 36 Ca 0.39 -0.06 0.03 0.00 -0.47 0.00 0.00 55.73 55.62 1jt8 s ARG 36 Cb -0.09 -3.40 -0.03 0.00 -0.57 0.00 0.00 34.95 30.86 1jt8 s ARG 36 CO 0.30 0.33 -0.09 0.08 -1.08 0.00 0.00 175.30 174.84 1jt8 s VAL 37 N 0.25 0.71 0.08 4.99 1.01 -0.57 -1.86 120.40 125.00 1jt8 s VAL 37 Ca 0.13 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.80 1jt8 s VAL 37 Cb -0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1jt8 s VAL 37 CO 0.01 -0.50 -0.21 -0.60 0.00 0.00 0.00 175.10 173.81 1jt8 s ARG 38 N -2.29 1.22 0.08 2.72 3.52 -1.11 -2.30 118.95 120.78 1jt8 s ARG 38 Ca -0.02 -1.06 -0.06 0.00 -0.13 0.00 0.00 55.73 54.46 1jt8 s ARG 38 Cb -0.05 -1.42 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 1jt8 s ARG 38 CO -0.01 0.34 0.11 0.00 -0.81 0.00 0.00 175.30 174.94 1jt8 s LEU 40 N -2.89 3.03 -0.31 0.00 1.43 0.17 -2.78 118.68 117.32 1jt8 s LEU 40 Ca 0.07 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1jt8 s LEU 40 Cb 0.06 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1jt8 s LEU 40 CO -0.10 -1.70 0.00 0.47 0.23 0.00 0.00 176.35 175.26 1jt8 n ASP 41 N -2.66 -2.94 -2.09 2.29 8.00 -1.26 -3.23 116.55 114.65 1jt8 n ASP 41 Ca 0.15 0.06 -0.07 0.00 0.71 0.00 0.00 54.79 55.63 1jt8 n ASP 41 Cb 0.61 -1.15 0.04 0.00 -0.02 0.00 0.00 41.12 40.59 1jt8 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jt8 n GLY 42 N -2.19 0.08 3.17 0.44 0.00 -1.26 -4.99 105.19 100.45 1jt8 n GLY 42 Ca -0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1jt8 n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jt8 s LYS 43 N -4.36 0.60 -0.10 1.61 2.47 -1.12 -5.09 119.74 113.76 1jt8 s LYS 43 Ca 0.04 -0.41 -0.02 0.00 -1.56 0.00 0.00 55.97 54.03 1jt8 s LYS 43 Cb -0.01 0.26 0.03 0.00 -1.46 0.00 0.00 37.83 36.65 1jt8 s LYS 43 CO 0.31 -0.16 -0.00 -0.08 0.16 0.00 0.00 175.35 175.58 1jt8 s THR 44 N -1.74 0.47 0.12 3.43 -1.32 -1.26 -1.29 115.64 114.05 1jt8 s THR 44 Ca -0.11 -0.04 -0.08 0.00 -1.21 0.00 0.00 61.69 60.24 1jt8 s THR 44 Cb -0.05 -0.68 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 1jt8 s THR 44 CO 0.01 0.19 0.22 -0.13 -2.21 0.00 0.00 174.62 172.69 1jt8 s ARG 45 N 1.92 0.99 -0.25 7.08 3.00 -0.97 -2.61 118.95 128.11 1jt8 s ARG 45 Ca 0.04 -1.09 -0.12 0.00 0.00 0.00 0.00 55.73 54.55 1jt8 s ARG 45 Cb -0.13 0.35 -0.05 0.00 0.00 0.00 0.00 34.95 35.12 1jt8 s ARG 45 CO -0.06 -0.33 0.25 -0.48 0.00 0.00 0.00 175.30 174.67 1jt8 s LEU 46 N -2.92 4.09 0.02 2.53 2.34 -1.00 -1.51 118.68 122.22 1jt8 s LEU 46 Ca 0.12 0.18 -0.09 0.00 0.06 0.00 0.00 54.13 54.40 1jt8 s LEU 46 Cb 0.04 -2.23 -0.05 0.00 -0.56 0.00 0.00 46.19 43.39 1jt8 s LEU 46 CO -0.05 -0.03 0.33 -0.83 -1.06 0.00 0.00 176.35 174.71 1jt8 s GLY 47 N 1.32 2.32 -0.10 -3.48 0.00 -0.60 -1.77 107.32 105.01 1jt8 s GLY 47 Ca 0.11 -0.45 -0.07 0.00 0.00 0.00 0.00 44.72 44.31 1jt8 s GLY 47 CO 0.08 -0.21 0.17 1.09 0.00 0.00 0.00 173.10 174.22 1jt8 s ARG 48 N -1.63 3.48 0.31 2.90 1.04 -0.31 -2.02 118.95 122.72 1jt8 s ARG 48 Ca 0.28 -0.11 0.03 0.00 -1.04 0.00 0.00 55.73 54.89 1jt8 s ARG 48 Cb -0.14 -3.18 -0.06 0.00 -2.04 0.00 0.00 34.95 29.53 1jt8 s ARG 48 CO 0.15 0.76 0.06 0.96 -0.04 0.00 0.00 175.30 177.19 1jt8 s ILE 49 N -1.07 1.10 -0.14 4.99 -4.36 -1.26 -2.30 121.20 118.16 1jt8 s ILE 49 Ca 0.17 -2.01 0.27 0.00 -0.26 0.00 0.00 60.65 58.83 1jt8 s ILE 49 Cb -0.12 -2.73 0.34 0.00 1.25 0.00 0.00 42.46 41.19 1jt8 s ILE 49 CO 0.07 -0.03 1.78 1.55 0.24 0.00 0.00 174.94 178.54 1jt8 h PRO 50 N 2.18 0.00 0.00 0.37 0.13 -1.93 -3.47 132.00 129.28 1jt8 h PRO 50 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1jt8 h PRO 50 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jt8 h PRO 50 CO 0.68 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 1jt8 n GLY 51 N 0.57 0.93 0.25 1.56 0.00 -1.26 -5.00 105.19 102.25 1jt8 n GLY 51 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1jt8 n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jt8 h ARG 52 N 0.90 0.43 -0.82 1.61 3.08 -2.00 -2.82 114.38 114.76 1jt8 h ARG 52 Ca 0.00 -0.12 0.16 0.00 0.07 0.00 0.00 59.98 60.10 1jt8 h ARG 52 Cb 0.00 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 1jt8 h ARG 52 CO 0.00 0.56 0.54 -0.07 -1.07 0.00 0.00 179.97 179.93 1jt8 h LEU 53 N 0.40 0.44 -0.64 3.04 3.38 -1.95 0.22 115.31 120.21 1jt8 h LEU 53 Ca 0.08 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1jt8 h LEU 53 Cb 0.47 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 1jt8 h LEU 53 CO 0.03 0.21 0.15 0.11 0.09 0.00 0.00 178.44 179.03 1jt8 h LYS 54 N 0.46 0.27 0.03 1.13 1.57 -1.79 -0.33 116.57 117.91 1jt8 h LYS 54 Ca 0.41 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.84 1jt8 h LYS 54 Cb 0.92 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 1jt8 h LYS 54 CO -0.15 0.18 -2.03 0.27 -0.57 0.00 0.00 179.45 177.15 1jt8 n ASN 55 N -5.12 1.09 0.25 0.86 6.94 -0.70 -4.54 115.26 114.05 1jt8 n ASN 55 Ca 0.10 0.20 -0.10 0.00 -0.02 0.00 0.00 54.58 54.76 1jt8 n ASN 55 Cb 0.35 -0.04 -0.05 0.00 -2.36 0.00 0.00 39.78 37.68 1jt8 n ASN 55 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1jt8 h ARG 56 N 0.02 -0.63 -7.47 -3.83 9.65 -0.37 -3.44 114.38 108.31 1jt8 h ARG 56 Ca -0.42 0.04 -0.49 0.00 -1.10 0.00 0.00 59.98 58.01 1jt8 h ARG 56 Cb 2.06 0.14 0.08 0.00 -1.39 0.00 0.00 29.97 30.86 1jt8 h ARG 56 CO 0.05 -0.42 0.41 -1.50 2.80 0.00 0.00 179.97 181.32 1jt8 s ILE 57 N -4.10 3.55 0.00 1.20 2.07 -0.15 -4.94 121.20 118.83 1jt8 s ILE 57 Ca -0.09 0.50 0.00 0.00 -1.41 0.00 0.00 60.65 59.65 1jt8 s ILE 57 Cb 0.01 -3.50 0.00 0.00 0.13 0.00 0.00 42.46 39.10 1jt8 s ILE 57 CO 0.28 -0.66 0.00 1.87 -1.91 0.00 0.00 174.94 174.53 1jt8 n TRP 58 N -2.99 -0.40 -0.05 3.50 -0.00 -1.26 -4.74 117.44 111.50 1jt8 n TRP 58 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.47 1jt8 n TRP 58 Cb 0.57 0.08 -0.03 0.00 -0.00 0.00 0.00 31.31 31.93 1jt8 n TRP 58 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1jt8 n VAL 59 N -1.48 0.60 -4.11 5.87 0.24 -1.26 -5.05 118.33 113.14 1jt8 n VAL 59 Ca 0.00 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.34 61.90 1jt8 n VAL 59 Cb 0.00 -1.65 -0.07 0.00 -1.47 0.00 0.00 33.84 30.65 1jt8 n VAL 59 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1jt8 s ARG 60 N -2.19 2.68 0.00 7.34 0.52 -1.26 -5.13 118.95 120.91 1jt8 s ARG 60 Ca -0.14 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1jt8 s ARG 60 Cb 0.05 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.94 1jt8 s ARG 60 CO 0.17 0.52 0.00 0.39 0.02 0.00 0.00 175.30 176.41 1jt8 n GLU 61 N 0.26 1.93 -0.61 3.54 4.71 -1.26 -4.94 120.64 124.27 1jt8 n GLU 61 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 1jt8 n GLU 61 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 1jt8 n GLU 61 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jt8 n GLY 62 N 4.20 -0.54 3.39 0.62 0.00 -1.24 -5.08 105.19 106.54 1jt8 n GLY 62 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 1jt8 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jt8 s ASP 63 N -0.21 2.51 -0.09 1.61 1.11 -1.14 -4.62 116.67 115.85 1jt8 s ASP 63 Ca 0.00 -1.16 -0.12 0.00 0.18 0.00 0.00 52.55 51.45 1jt8 s ASP 63 Cb 0.00 -0.12 -0.05 0.00 1.07 0.00 0.00 42.92 43.82 1jt8 s ASP 63 CO 0.00 -0.34 0.29 0.54 1.18 0.00 0.00 175.17 176.84 1jt8 s VAL 64 N -3.09 5.26 -0.01 -1.27 0.11 -1.06 -1.57 120.40 118.76 1jt8 s VAL 64 Ca 0.27 0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 59.87 1jt8 s VAL 64 Cb 0.03 -3.59 0.01 0.00 -1.53 0.00 0.00 36.38 31.29 1jt8 s VAL 64 CO 0.10 0.53 0.04 0.54 -3.33 0.00 0.00 175.10 172.97 1jt8 s VAL 65 N -0.57 -0.00 -0.04 2.04 0.11 -0.72 -2.10 120.40 119.11 1jt8 s VAL 65 Ca 0.19 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.20 1jt8 s VAL 65 Cb -0.14 -0.06 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1jt8 s VAL 65 CO 0.08 0.01 0.19 0.27 -3.33 0.00 0.00 175.10 172.32 1jt8 s ILE 66 N 0.10 5.42 0.05 7.04 -5.25 -1.10 -2.27 121.20 125.19 1jt8 s ILE 66 Ca -0.01 0.08 -0.01 0.00 -0.99 0.00 0.00 60.65 59.72 1jt8 s ILE 66 Cb -0.01 -3.50 -0.04 0.00 2.95 0.00 0.00 42.46 41.86 1jt8 s ILE 66 CO -0.00 0.45 -0.02 0.68 -1.79 0.00 0.00 174.94 174.25 1jt8 s VAL 67 N -1.21 0.21 0.10 8.37 -7.23 -1.08 -2.71 120.40 116.86 1jt8 s VAL 67 Ca 0.23 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1jt8 s VAL 67 Cb -0.13 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1jt8 s VAL 67 CO 0.13 -0.95 0.26 -0.75 -0.31 0.00 0.00 175.10 173.48 1jt8 s LYS 68 N -3.75 3.46 0.08 4.82 2.20 -0.85 -2.79 119.74 122.93 1jt8 s LYS 68 Ca 0.05 -0.44 -0.17 0.00 -0.36 0.00 0.00 55.97 55.05 1jt8 s LYS 68 Cb 0.07 -2.98 -0.07 0.00 -1.51 0.00 0.00 37.83 33.34 1jt8 s LYS 68 CO -0.09 0.55 0.54 -1.25 -0.36 0.00 0.00 175.35 174.74 1jt8 s PRO 69 N -2.78 4.11 -0.18 4.03 0.04 -1.26 -2.72 135.00 136.23 1jt8 s PRO 69 Ca 0.36 0.63 0.01 0.00 0.04 0.00 0.00 61.00 62.04 1jt8 s PRO 69 Cb -0.12 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1jt8 s PRO 69 CO 0.28 0.61 -0.16 -1.58 0.04 0.00 0.00 177.00 176.18 1jt8 s TRP 70 N -1.20 2.59 0.21 0.56 0.52 0.24 -4.92 118.94 116.95 1jt8 s TRP 70 Ca 0.31 -1.58 -0.30 0.00 0.02 0.00 0.00 56.10 54.54 1jt8 s TRP 70 Cb -0.18 -1.79 -0.10 0.00 -1.15 0.00 0.00 33.47 30.26 1jt8 s TRP 70 CO 0.18 -0.77 1.45 -1.83 0.02 0.00 0.00 176.95 176.00 1jt8 s GLU 71 N 1.35 4.28 0.00 4.98 1.03 -1.26 -3.04 118.70 126.03 1jt8 s GLU 71 Ca 0.03 2.26 0.00 0.00 0.03 0.00 0.00 54.97 57.29 1jt8 s GLU 71 Cb -0.14 -3.14 0.00 0.00 -0.80 0.00 0.00 34.13 30.05 1jt8 s GLU 71 CO -0.11 -0.44 0.00 1.55 -1.33 0.00 0.00 175.26 174.93 1jt8 n VAL 72 N 2.90 0.00 -1.70 1.83 3.14 -1.26 -4.90 118.33 118.34 1jt8 n VAL 72 Ca 0.09 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.07 1jt8 n VAL 72 Cb 0.40 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.21 1jt8 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jt8 n GLN 73 N 0.00 1.75 0.00 1.45 10.64 -1.26 -2.67 117.38 127.29 1jt8 n GLN 73 Ca 0.00 0.63 0.00 0.00 -1.83 0.00 0.00 57.00 55.80 1jt8 n GLN 73 Cb 0.00 -2.39 0.00 0.00 -0.86 0.00 0.00 30.24 26.99 1jt8 n GLN 73 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jt8 n GLY 74 N 0.87 3.11 3.58 2.61 0.00 -1.26 -4.96 105.19 109.14 1jt8 n GLY 74 Ca 0.08 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1jt8 n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jt8 s ASP 75 N 0.00 -0.33 0.20 1.61 -4.77 -1.09 -5.17 116.67 107.13 1jt8 s ASP 75 Ca 0.00 0.32 0.01 0.00 -3.30 0.00 0.00 52.55 49.58 1jt8 s ASP 75 Cb 0.00 0.28 -0.04 0.00 -1.09 0.00 0.00 42.92 42.07 1jt8 s ASP 75 CO 0.00 -0.33 0.37 -1.10 0.70 0.00 0.00 175.17 174.81 1jt8 s GLN 76 N -1.30 3.48 0.18 2.11 1.11 -1.07 -4.42 119.66 119.75 1jt8 s GLN 76 Ca 0.00 -0.47 0.08 0.00 0.01 0.00 0.00 55.36 54.99 1jt8 s GLN 76 Cb -0.01 -2.87 -0.04 0.00 -1.01 0.00 0.00 33.01 29.08 1jt8 s GLN 76 CO -0.00 0.42 -0.06 0.15 0.01 0.00 0.00 175.29 175.81 1jt8 s LYS 77 N -3.45 2.20 0.03 2.91 1.02 -1.17 -2.38 119.74 118.90 1jt8 s LYS 77 Ca 0.37 -1.21 -0.07 0.00 0.02 0.00 0.00 55.97 55.07 1jt8 s LYS 77 Cb -0.11 -2.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1jt8 s LYS 77 CO 0.29 0.44 0.14 0.00 -0.92 0.00 0.00 175.35 175.31 1jt8 s ASP 79 N -1.92 6.05 0.14 0.00 2.15 -1.10 -1.16 116.67 120.82 1jt8 s ASP 79 Ca -0.08 -0.02 0.11 0.00 0.43 0.00 0.00 52.55 52.99 1jt8 s ASP 79 Cb -0.03 -2.13 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 1jt8 s ASP 79 CO -0.03 -0.09 -0.25 0.27 -0.17 0.00 0.00 175.17 174.90 1jt8 s ILE 80 N 1.80 2.19 -0.15 4.11 -4.36 -0.97 -2.00 121.20 121.82 1jt8 s ILE 80 Ca 0.08 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 1jt8 s ILE 80 Cb -0.16 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.62 1jt8 s ILE 80 CO 0.11 0.02 -0.11 0.27 0.24 0.00 0.00 174.94 175.47 1jt8 s ILE 81 N -1.22 1.38 0.26 8.37 -4.36 -1.10 -4.63 121.20 119.89 1jt8 s ILE 81 Ca 0.14 -0.57 0.07 0.00 -0.26 0.00 0.00 60.65 60.03 1jt8 s ILE 81 Cb -0.09 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 1jt8 s ILE 81 CO 0.07 0.37 0.21 -1.66 0.24 0.00 0.00 174.94 174.17 1jt8 s TRP 82 N 1.56 3.11 -0.15 1.37 1.48 -1.26 -2.70 118.94 122.35 1jt8 s TRP 82 Ca 0.04 -0.12 0.00 0.00 -1.06 0.00 0.00 56.10 54.96 1jt8 s TRP 82 Cb -0.13 -1.45 0.00 0.00 -1.16 0.00 0.00 33.47 30.73 1jt8 s TRP 82 CO -0.09 0.49 0.00 -2.13 -4.06 0.00 0.00 176.95 171.15 1jt8 n ARG 83 N -1.21 -2.16 -3.26 3.25 0.63 -0.89 -5.01 116.66 108.01 1jt8 n ARG 83 Ca -0.07 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.67 1jt8 n ARG 83 Cb 0.58 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.51 1jt8 n ARG 83 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1jt8 n TYR 84 N 0.10 -1.97 0.31 -0.14 4.02 -1.26 -2.56 117.16 115.66 1jt8 n TYR 84 Ca 0.00 0.83 0.19 0.00 -0.01 0.00 0.00 57.90 58.91 1jt8 n TYR 84 Cb 0.00 -1.96 1.03 0.00 -0.02 0.00 0.00 39.34 38.39 1jt8 n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jt8 h THR 85 N 2.69 0.26 0.00 -0.72 1.03 -1.95 -3.21 112.91 111.01 1jt8 h THR 85 Ca -0.26 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1jt8 h THR 85 Cb 1.10 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1jt8 h THR 85 CO 0.14 0.01 0.00 1.17 -0.01 0.00 0.00 175.52 176.83 1jt8 n LYS 86 N -3.43 0.00 -3.78 0.00 4.81 -1.26 -4.54 118.16 109.95 1jt8 n LYS 86 Ca -0.03 0.02 -0.09 0.00 -0.87 0.00 0.00 58.31 57.34 1jt8 n LYS 86 Cb 0.10 -0.51 -0.03 0.00 0.02 0.00 0.00 35.03 34.61 1jt8 n LYS 86 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1jt8 s THR 87 N -0.04 0.02 0.00 3.15 -4.23 -1.25 -4.87 115.64 108.41 1jt8 s THR 87 Ca 0.00 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1jt8 s THR 87 Cb 0.00 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1jt8 s THR 87 CO 0.00 -0.07 0.00 1.67 -0.54 0.00 0.00 174.62 175.68 1jt8 n GLN 88 N -0.37 0.00 -0.33 3.99 -0.06 -1.26 -4.89 117.38 114.46 1jt8 n GLN 88 Ca -0.08 0.00 0.18 0.00 -2.00 0.00 0.00 57.00 55.10 1jt8 n GLN 88 Cb 0.62 0.00 0.41 0.00 -4.06 0.00 0.00 30.24 27.21 1jt8 n GLN 88 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1jt8 h VAL 89 N 0.00 0.61 -0.64 1.69 2.07 -1.96 0.54 116.25 118.55 1jt8 h VAL 89 Ca 0.00 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1jt8 h VAL 89 Cb 0.00 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.71 1jt8 h VAL 89 CO 0.00 0.10 0.38 -0.08 0.02 0.00 0.00 177.57 177.99 1jt8 h GLU 90 N 0.57 0.71 -0.41 1.57 4.22 -1.99 -0.28 114.58 118.96 1jt8 h GLU 90 Ca 0.59 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 60.01 1jt8 h GLU 90 Cb 1.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1jt8 h GLU 90 CO -0.36 0.47 0.22 2.35 -2.18 0.00 0.00 179.01 179.51 1jt8 h TRP 91 N 0.73 0.41 -0.41 0.92 7.01 -1.30 -0.75 115.95 122.56 1jt8 h TRP 91 Ca 0.27 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.24 1jt8 h TRP 91 Cb 0.09 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1jt8 h TRP 91 CO -0.06 0.22 0.06 -0.07 -2.79 0.00 0.00 178.44 175.80 1jt8 h LEU 92 N 0.44 0.57 0.02 0.65 3.38 -1.17 -2.42 115.31 116.79 1jt8 h LEU 92 Ca 0.17 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jt8 h LEU 92 Cb 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1jt8 h LEU 92 CO -0.11 0.60 -0.01 0.11 0.09 0.00 0.00 178.44 179.13 1jt8 h LYS 93 N 0.60 -0.03 -0.99 1.13 6.56 -0.14 -2.33 116.57 121.37 1jt8 h LYS 93 Ca 0.13 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.84 1jt8 h LYS 93 Cb 0.29 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 31.87 1jt8 h LYS 93 CO 0.00 0.22 0.62 0.00 -2.06 0.00 0.00 179.45 178.23 1jt8 h ARG 94 N -0.27 0.96 -0.28 3.15 3.08 -0.97 0.60 114.38 120.64 1jt8 h ARG 94 Ca -0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1jt8 h ARG 94 Cb 0.26 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1jt8 h ARG 94 CO 0.00 0.63 0.02 -0.22 -1.07 0.00 0.00 179.97 179.33 1jt8 h LYS 95 N 0.98 0.42 -0.54 0.04 3.64 -1.21 -2.56 116.57 117.34 1jt8 h LYS 95 Ca 0.49 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.70 1jt8 h LYS 95 Cb 0.47 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1jt8 h LYS 95 CO -0.26 0.43 -0.04 0.78 -2.27 0.00 0.00 179.45 178.09 1jt8 h GLY 96 N 0.71 1.04 0.70 5.01 0.00 -0.33 -1.51 103.07 108.68 1jt8 h GLY 96 Ca 0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1jt8 h GLY 96 CO 0.00 0.70 -0.13 -0.97 0.00 0.00 0.00 176.54 176.15 1jt8 h TYR 97 N 0.87 -0.34 -0.73 5.60 0.05 -1.18 -0.14 116.97 121.10 1jt8 h TYR 97 Ca 0.15 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1jt8 h TYR 97 Cb 0.57 0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 1jt8 h TYR 97 CO 0.04 -0.02 0.33 1.37 -1.05 0.00 0.00 178.16 178.82 1jt8 h LEU 98 N -0.67 0.97 -0.30 3.88 8.10 -1.54 -0.72 115.31 125.03 1jt8 h LEU 98 Ca -0.04 -0.12 -0.04 0.00 0.11 0.00 0.00 57.88 57.79 1jt8 h LEU 98 Cb 0.47 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1jt8 h LEU 98 CO 0.06 0.84 0.02 -0.78 -4.11 0.00 0.00 178.44 174.47 1jt8 h ASP 99 N 1.05 0.50 -0.21 0.17 3.58 -1.25 -2.86 116.42 117.41 1jt8 h ASP 99 Ca 0.25 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 1jt8 h ASP 99 Cb 0.15 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1jt8 h ASP 99 CO -0.03 0.67 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.85 1jt8 h GLU 100 N 0.32 0.56 0.82 0.28 4.81 -0.74 -3.17 114.58 117.47 1jt8 h GLU 100 Ca 0.09 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1jt8 h GLU 100 Cb 0.41 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1jt8 h GLU 100 CO 0.01 0.64 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.46 1jt8 h LEU 101 N 0.52 -0.97 0.00 1.64 3.38 -0.96 -3.51 115.31 115.41 1jt8 h LEU 101 Ca 0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jt8 h LEU 101 Cb 0.45 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jt8 h LEU 101 CO 0.02 -0.68 0.00 -0.11 0.09 0.00 0.00 178.44 177.76