#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj3 s LEU 3 N 0.00 4.45 -0.14 4.31 1.43 -1.26 -5.05 118.68 122.42 2bj3 s LEU 3 Ca 0.00 1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2bj3 s LEU 3 Cb 0.00 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 2bj3 s LEU 3 CO 0.00 -0.22 -0.02 -0.63 0.23 0.00 0.00 176.35 175.72 2bj3 s ILE 4 N 0.33 4.11 -0.16 -0.59 -1.09 -1.26 -5.10 121.20 117.45 2bj3 s ILE 4 Ca 0.51 -0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.59 2bj3 s ILE 4 Cb -0.26 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2bj3 s ILE 4 CO 0.31 0.52 0.01 -0.60 -1.23 0.00 0.00 174.94 173.94 2bj3 s ARG 5 N 0.03 3.75 0.08 2.79 3.52 -1.26 -5.09 118.95 122.78 2bj3 s ARG 5 Ca 0.02 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.14 2bj3 s ARG 5 Cb -0.13 -3.04 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2bj3 s ARG 5 CO 0.02 0.30 0.08 -0.59 -0.81 0.00 0.00 175.30 174.30 2bj3 s PHE 6 N 0.25 0.45 -0.14 5.12 -0.71 -1.26 -5.16 117.98 116.53 2bj3 s PHE 6 Ca 0.00 -0.92 -0.08 0.00 -1.04 0.00 0.00 56.93 54.89 2bj3 s PHE 6 Cb -0.13 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 2bj3 s PHE 6 CO 0.02 -0.48 0.14 0.45 -1.34 0.00 0.00 175.22 174.00 2bj3 s SER 7 N -2.93 6.32 0.09 1.98 0.15 -1.26 -5.11 113.70 112.95 2bj3 s SER 7 Ca 0.10 0.40 0.05 0.00 0.70 0.00 0.00 55.95 57.20 2bj3 s SER 7 Cb 0.07 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 2bj3 s SER 7 CO -0.08 0.34 -0.15 0.27 1.20 0.00 0.00 173.24 174.83 2bj3 s ILE 8 N -0.61 1.20 -0.28 6.45 -4.36 -1.26 -5.13 121.20 117.20 2bj3 s ILE 8 Ca 0.13 -1.43 -0.06 0.00 -0.26 0.00 0.00 60.65 59.02 2bj3 s ILE 8 Cb -0.12 -1.22 0.00 0.00 1.25 0.00 0.00 42.46 42.37 2bj3 s ILE 8 CO 0.02 -0.27 0.07 -0.55 0.24 0.00 0.00 174.94 174.45 2bj3 s SER 9 N -1.94 5.04 -0.02 4.36 0.15 -1.26 -5.10 113.70 114.93 2bj3 s SER 9 Ca 0.01 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.10 2bj3 s SER 9 Cb -0.09 -1.87 -0.01 0.00 -1.71 0.00 0.00 66.02 62.34 2bj3 s SER 9 CO 0.02 -0.16 -0.18 -0.63 1.20 0.00 0.00 173.24 173.49 2bj3 s ILE 10 N 1.51 1.46 0.44 6.45 -1.09 -1.26 -5.12 121.20 123.59 2bj3 s ILE 10 Ca 0.03 -0.79 -0.25 0.00 -2.23 0.00 0.00 60.65 57.41 2bj3 s ILE 10 Cb -0.17 -1.22 -0.08 0.00 -1.58 0.00 0.00 42.46 39.41 2bj3 s ILE 10 CO 0.02 0.42 1.37 -2.16 -1.23 0.00 0.00 174.94 173.36 2bj3 s PRO 11 N -0.37 3.77 0.25 2.79 0.04 -1.26 -4.83 135.00 135.38 2bj3 s PRO 11 Ca 0.06 2.29 -0.03 0.00 0.04 0.00 0.00 61.00 63.36 2bj3 s PRO 11 Cb -0.08 -2.67 0.50 0.00 0.04 0.00 0.00 34.50 32.29 2bj3 s PRO 11 CO -0.00 -0.71 1.74 1.03 0.04 0.00 0.00 177.00 179.10 2bj3 h SER 12 N 2.41 0.35 -0.59 6.66 0.87 -2.00 -2.01 113.55 119.25 2bj3 h SER 12 Ca -0.50 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.06 2bj3 h SER 12 Cb 1.26 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 2bj3 h SER 12 CO 0.61 0.13 -0.02 0.50 -0.53 0.00 0.00 176.83 177.52 2bj3 h LYS 13 N 0.49 1.05 -0.38 2.24 3.11 -2.00 -2.04 116.57 119.04 2bj3 h LYS 13 Ca 0.44 -0.35 -0.03 0.00 -2.81 0.00 0.00 60.65 57.90 2bj3 h LYS 13 Cb 0.66 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2bj3 h LYS 13 CO -0.40 1.04 0.11 1.25 -2.81 0.00 0.00 179.45 178.65 2bj3 h LEU 14 N 0.95 0.57 -1.28 5.20 5.85 -1.86 -2.06 115.31 122.67 2bj3 h LEU 14 Ca 0.16 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2bj3 h LEU 14 Cb 0.58 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2bj3 h LEU 14 CO 0.03 0.63 0.51 0.25 -0.34 0.00 0.00 178.44 179.53 2bj3 h LEU 15 N 0.47 0.79 0.02 2.25 5.85 -1.20 0.53 115.31 124.02 2bj3 h LEU 15 Ca 0.12 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2bj3 h LEU 15 Cb 0.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2bj3 h LEU 15 CO -0.00 0.52 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.28 2bj3 h GLU 16 N 0.90 -0.02 -0.47 1.25 5.08 -1.01 0.25 114.58 120.56 2bj3 h GLU 16 Ca 0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2bj3 h GLU 16 Cb 0.14 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2bj3 h GLU 16 CO -0.10 0.29 0.14 -0.22 -1.00 0.00 0.00 179.01 178.12 2bj3 h LYS 17 N -0.33 0.70 0.24 2.33 1.63 -0.90 0.27 116.57 120.50 2bj3 h LYS 17 Ca -0.00 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2bj3 h LYS 17 Cb 0.32 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2bj3 h LYS 17 CO 0.00 0.61 -0.12 0.35 -3.45 0.00 0.00 179.45 176.85 2bj3 h PHE 18 N 0.68 -0.30 -0.91 1.91 3.57 0.37 0.38 116.94 122.65 2bj3 h PHE 18 Ca 0.16 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2bj3 h PHE 18 Cb 0.21 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 2bj3 h PHE 18 CO 0.01 0.01 0.59 -0.44 -2.23 0.00 0.00 178.31 176.25 2bj3 h ASP 19 N -0.62 0.95 0.04 0.41 3.32 -0.25 0.21 116.42 120.48 2bj3 h ASP 19 Ca -0.03 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.02 2bj3 h ASP 19 Cb 0.44 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2bj3 h ASP 19 CO 0.05 0.63 -0.07 -0.61 -1.72 0.00 0.00 179.24 177.53 2bj3 h GLN 20 N 1.09 -0.13 -0.62 3.56 4.15 -0.24 -1.25 115.11 121.67 2bj3 h GLN 20 Ca 0.37 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 2bj3 h GLN 20 Cb 0.09 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2bj3 h GLN 20 CO -0.12 -0.09 0.32 0.82 -1.93 0.00 0.00 178.83 177.83 2bj3 h ILE 21 N -0.13 1.21 -0.75 2.39 1.08 -0.10 -2.94 117.51 118.26 2bj3 h ILE 21 Ca 0.01 -0.55 0.10 0.00 -0.39 0.00 0.00 64.86 64.03 2bj3 h ILE 21 Cb 0.15 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 34.26 2bj3 h ILE 21 CO -0.04 0.23 0.39 0.40 -0.69 0.00 0.00 178.15 178.44 2bj3 h ILE 22 N 0.85 0.86 0.56 -0.67 1.08 -0.20 -1.28 117.51 118.70 2bj3 h ILE 22 Ca 0.22 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2bj3 h ILE 22 Cb 0.08 0.14 0.01 0.00 -3.07 0.00 0.00 36.82 33.98 2bj3 h ILE 22 CO -0.03 0.12 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.20 2bj3 h GLU 23 N 0.65 -0.73 -0.35 2.37 4.57 -1.09 -2.11 114.58 117.90 2bj3 h GLU 23 Ca 0.37 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.67 2bj3 h GLU 23 Cb 0.39 0.17 -0.07 0.00 -0.16 0.00 0.00 28.75 29.07 2bj3 h GLU 23 CO -0.27 -0.43 -0.10 1.49 -1.18 0.00 0.00 179.01 178.52 2bj3 h GLU 24 N -0.92 -0.02 -0.24 1.92 4.57 -1.35 -2.85 114.58 115.69 2bj3 h GLU 24 Ca -0.08 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2bj3 h GLU 24 Cb 0.63 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 2bj3 h GLU 24 CO 0.13 -0.02 0.07 0.82 -1.18 0.00 0.00 179.01 178.83 2bj3 h ILE 25 N -0.02 0.93 0.00 2.32 2.04 -1.26 -3.47 117.51 118.04 2bj3 h ILE 25 Ca 0.17 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2bj3 h ILE 25 Cb 0.28 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2bj3 h ILE 25 CO -0.37 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.42 2bj3 n GLY 26 N -1.18 0.26 3.76 5.37 0.00 -0.83 -5.11 105.19 107.46 2bj3 n GLY 26 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2bj3 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bj3 s TYR 27 N -1.22 2.66 0.07 1.61 1.51 -0.96 -4.93 117.35 116.10 2bj3 s TYR 27 Ca 0.00 1.39 -0.15 0.00 -1.01 0.00 0.00 57.07 57.31 2bj3 s TYR 27 Cb 0.00 -3.70 -0.21 0.00 -0.11 0.00 0.00 41.96 37.94 2bj3 s TYR 27 CO 0.00 -2.32 1.22 0.93 -1.11 0.00 0.00 175.55 174.27 2bj3 h GLU 28 N 2.30 0.69 -3.73 -0.62 4.39 -1.97 -3.43 114.58 112.21 2bj3 h GLU 28 Ca -0.50 -0.67 -0.11 0.00 0.34 0.00 0.00 59.36 58.41 2bj3 h GLU 28 Cb 1.26 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 30.00 2bj3 h GLU 28 CO 0.61 1.27 -0.11 0.54 -1.16 0.00 0.00 179.01 180.16 2bj3 s ASN 29 N -7.14 0.19 0.11 1.42 2.20 -1.26 -5.06 114.94 105.39 2bj3 s ASN 29 Ca -0.11 -1.11 -0.20 0.00 -0.94 0.00 0.00 52.86 50.51 2bj3 s ASN 29 Cb 0.07 0.63 -0.08 0.00 -2.00 0.00 0.00 41.25 39.87 2bj3 s ASN 29 CO 0.90 -1.23 1.70 0.03 -2.94 0.00 0.00 177.10 175.56 2bj3 h ARG 30 N 2.20 0.27 -0.35 3.55 3.08 -2.00 -2.93 114.38 118.20 2bj3 h ARG 30 Ca -0.27 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.82 2bj3 h ARG 30 Cb 1.25 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.16 2bj3 h ARG 30 CO 0.37 0.26 -0.32 0.77 -1.07 0.00 0.00 179.97 179.99 2bj3 h SER 31 N 0.20 -1.04 -0.40 7.04 0.02 -1.98 0.13 113.55 117.53 2bj3 h SER 31 Ca 0.07 0.18 0.07 0.00 -0.84 0.00 0.00 61.79 61.27 2bj3 h SER 31 Cb 0.07 0.48 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2bj3 h SER 31 CO -0.01 -0.32 0.27 -0.08 -1.14 0.00 0.00 176.83 175.55 2bj3 h GLU 32 N -0.27 0.24 0.01 3.45 4.81 -1.97 0.49 114.58 121.34 2bj3 h GLU 32 Ca 0.16 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2bj3 h GLU 32 Cb 0.53 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2bj3 h GLU 32 CO -0.50 0.16 -0.09 0.00 -0.73 0.00 0.00 179.01 177.85 2bj3 h ALA 33 N 1.79 -0.01 -0.29 2.92 0.00 -0.98 -3.15 119.26 119.54 2bj3 h ALA 33 Ca 0.18 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2bj3 h ALA 33 Cb 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2bj3 h ALA 33 CO -0.03 0.02 0.01 0.82 0.00 0.00 0.00 179.25 180.07 2bj3 h ILE 34 N -0.87 1.17 -0.46 0.00 2.04 -0.58 -1.84 117.51 116.97 2bj3 h ILE 34 Ca -0.02 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2bj3 h ILE 34 Cb 1.02 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2bj3 h ILE 34 CO 0.02 0.23 0.29 -0.09 0.00 0.00 0.00 178.15 178.59 2bj3 h ARG 35 N 0.42 0.62 -0.61 2.37 2.43 -1.00 0.65 114.38 119.26 2bj3 h ARG 35 Ca 0.10 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2bj3 h ARG 35 Cb 0.27 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2bj3 h ARG 35 CO 0.01 0.45 0.17 -0.44 -1.51 0.00 0.00 179.97 178.64 2bj3 h ASP 36 N 0.62 0.88 -0.41 -3.80 3.45 -1.35 -0.81 116.42 114.99 2bj3 h ASP 36 Ca 0.17 -0.16 -0.09 0.00 0.43 0.00 0.00 57.03 57.38 2bj3 h ASP 36 Cb -0.03 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 2bj3 h ASP 36 CO -0.03 0.84 -0.09 -0.07 -1.57 0.00 0.00 179.24 178.32 2bj3 h LEU 37 N 0.90 0.79 -0.35 1.55 3.38 -0.76 -1.35 115.31 119.47 2bj3 h LEU 37 Ca 0.20 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2bj3 h LEU 37 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2bj3 h LEU 37 CO -0.00 0.96 0.04 0.40 0.09 0.00 0.00 178.44 179.93 2bj3 h ILE 38 N 0.60 1.24 -0.70 1.22 2.04 -0.71 -1.36 117.51 119.85 2bj3 h ILE 38 Ca 0.10 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2bj3 h ILE 38 Cb 0.61 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2bj3 h ILE 38 CO 0.04 0.29 0.36 -0.09 0.00 0.00 0.00 178.15 178.75 2bj3 h ARG 39 N 0.41 0.99 -0.38 2.37 2.43 -1.10 -0.82 114.38 118.28 2bj3 h ARG 39 Ca 0.10 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2bj3 h ARG 39 Cb 0.39 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2bj3 h ARG 39 CO 0.01 0.76 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.58 2bj3 h ASP 40 N 0.96 0.75 -0.39 -3.80 3.32 -1.14 -1.84 116.42 114.29 2bj3 h ASP 40 Ca 0.24 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2bj3 h ASP 40 Cb 0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2bj3 h ASP 40 CO -0.03 0.95 0.20 0.15 -1.72 0.00 0.00 179.24 178.79 2bj3 h PHE 41 N 0.65 0.55 -0.71 4.55 3.04 -0.84 -1.96 116.94 122.22 2bj3 h PHE 41 Ca 0.09 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 2bj3 h PHE 41 Cb 0.71 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 2bj3 h PHE 41 CO 0.04 0.44 0.23 0.82 -2.02 0.00 0.00 178.31 177.82 2bj3 h ILE 42 N 0.50 1.26 -0.66 1.41 2.04 -1.03 -1.12 117.51 119.90 2bj3 h ILE 42 Ca 0.14 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 2bj3 h ILE 42 Cb 0.09 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2bj3 h ILE 42 CO -0.02 0.34 0.18 0.40 0.00 0.00 0.00 178.15 179.05 2bj3 h ILE 43 N 1.03 1.26 -0.28 -0.67 2.04 -1.12 -1.28 117.51 118.49 2bj3 h ILE 43 Ca 0.23 -0.91 -0.18 0.00 1.00 0.00 0.00 64.86 65.00 2bj3 h ILE 43 Cb 0.29 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2bj3 h ILE 43 CO -0.01 0.35 -0.51 0.03 0.00 0.00 0.00 178.15 178.00 2bj3 h ARG 44 N 0.97 0.84 -0.01 2.37 3.08 -1.16 -2.57 114.38 117.90 2bj3 h ARG 44 Ca 0.21 -0.53 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 2bj3 h ARG 44 Cb 0.34 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2bj3 h ARG 44 CO -0.00 1.16 0.00 1.25 -1.07 0.00 0.00 179.97 181.31 2bj3 h HIS 45 N 0.61 0.01 -0.32 3.04 2.76 -1.10 -2.70 115.15 117.45 2bj3 h HIS 45 Ca 0.01 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2bj3 h HIS 45 Cb 1.12 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.04 2bj3 h HIS 45 CO 0.08 0.11 0.11 1.05 -1.30 0.00 0.00 177.93 177.98 2bj3 h GLU 46 N -0.10 0.24 -0.86 5.26 4.11 -1.27 -1.55 114.58 120.41 2bj3 h GLU 46 Ca 0.00 -0.01 0.14 0.00 0.07 0.00 0.00 59.36 59.56 2bj3 h GLU 46 Cb 0.11 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2bj3 h GLU 46 CO -0.00 0.16 0.56 -1.49 0.07 0.00 0.00 179.01 178.30 2bj3 h TRP 47 N 0.24 0.75 0.08 2.06 6.55 -1.35 -1.97 115.95 122.31 2bj3 h TRP 47 Ca 0.15 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.00 2bj3 h TRP 47 Cb 0.12 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 2bj3 h TRP 47 CO -0.14 0.28 -0.04 1.49 -1.05 0.00 0.00 178.44 178.98 2bj3 h GLU 48 N 0.64 -0.10 -0.06 0.49 4.81 -0.98 -1.24 114.58 118.14 2bj3 h GLU 48 Ca 0.43 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 2bj3 h GLU 48 Cb 0.73 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2bj3 h GLU 48 CO -0.18 0.44 -0.04 -0.39 -0.73 0.00 0.00 179.01 178.10 2bj3 h VAL 49 N -0.74 1.07 -0.36 0.32 -1.51 -1.20 0.18 116.25 114.02 2bj3 h VAL 49 Ca -0.01 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2bj3 h VAL 49 Cb 0.58 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2bj3 h VAL 49 CO 0.02 0.10 0.00 0.61 -1.23 0.00 0.00 177.57 177.06 2bj3 n GLY 50 N -1.29 0.87 3.61 5.19 0.00 -0.75 -4.92 105.19 107.90 2bj3 n GLY 50 Ca -0.02 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 2bj3 n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bj3 n ASN 51 N 0.69 0.04 -4.82 1.61 5.15 0.64 -4.85 115.26 113.73 2bj3 n ASN 51 Ca 0.15 -0.74 -0.30 0.00 -0.60 0.00 0.00 54.58 53.09 2bj3 n ASN 51 Cb 0.37 -0.91 0.07 0.00 -0.53 0.00 0.00 39.78 38.78 2bj3 n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bj3 s GLU 52 N -5.68 2.41 -0.00 1.20 2.02 -0.51 -4.32 118.70 113.81 2bj3 s GLU 52 Ca 0.05 0.71 -0.29 0.00 0.02 0.00 0.00 54.97 55.46 2bj3 s GLU 52 Cb -0.03 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 2bj3 s GLU 52 CO 0.57 -1.41 0.94 -2.00 0.02 0.00 0.00 175.26 173.38 2bj3 s GLU 53 N -5.14 4.55 0.03 1.61 2.56 -1.26 0.68 118.70 121.72 2bj3 s GLU 53 Ca 0.60 1.35 -0.01 0.00 0.00 0.00 0.00 54.97 56.90 2bj3 s GLU 53 Cb -0.14 -3.45 -0.02 0.00 2.00 0.00 0.00 34.13 32.51 2bj3 s GLU 53 CO 0.54 -0.02 -0.01 0.14 -0.56 0.00 0.00 175.26 175.35 2bj3 s VAL 54 N 0.94 0.14 0.14 3.70 -7.23 0.92 -4.60 120.40 114.41 2bj3 s VAL 54 Ca 0.50 -1.16 0.10 0.00 -1.81 0.00 0.00 61.98 59.60 2bj3 s VAL 54 Cb -0.21 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2bj3 s VAL 54 CO 0.27 -0.64 -0.20 0.00 -0.31 0.00 0.00 175.10 174.22 2bj3 s ALA 55 N -2.23 2.63 0.00 1.32 0.00 -0.34 -1.53 121.76 121.61 2bj3 s ALA 55 Ca -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2bj3 s ALA 55 Cb -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2bj3 s ALA 55 CO -0.04 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2bj3 n GLY 56 N 0.67 -0.85 3.07 0.00 0.00 -0.65 -1.11 105.19 106.32 2bj3 n GLY 56 Ca -0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2bj3 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bj3 s THR 57 N -3.00 0.10 -0.23 2.61 -4.23 0.63 -1.73 115.64 109.79 2bj3 s THR 57 Ca 0.00 -0.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2bj3 s THR 57 Cb 0.00 -0.47 0.03 0.00 1.34 0.00 0.00 72.50 73.40 2bj3 s THR 57 CO 0.00 -0.46 -0.11 -0.63 -0.54 0.00 0.00 174.62 172.88 2bj3 s ILE 58 N -1.63 2.55 -0.17 2.99 1.01 -0.61 0.13 121.20 125.46 2bj3 s ILE 58 Ca -0.13 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 2bj3 s ILE 58 Cb -0.07 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2bj3 s ILE 58 CO -0.00 0.28 0.04 -0.89 0.00 0.00 0.00 174.94 174.37 2bj3 s THR 59 N 1.29 4.64 -0.04 2.92 2.01 -0.30 -0.43 115.64 125.74 2bj3 s THR 59 Ca 0.01 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 2bj3 s THR 59 Cb -0.16 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.30 2bj3 s THR 59 CO -0.07 0.47 0.02 0.27 -0.69 0.00 0.00 174.62 174.62 2bj3 s ILE 60 N 0.30 0.12 -0.19 1.82 -4.36 -0.08 -0.01 121.20 118.80 2bj3 s ILE 60 Ca 0.02 0.20 -0.08 0.00 -0.26 0.00 0.00 60.65 60.53 2bj3 s ILE 60 Cb -0.13 -0.28 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 2bj3 s ILE 60 CO 0.01 0.17 0.07 -0.69 0.24 0.00 0.00 174.94 174.74 2bj3 s VAL 61 N 1.54 4.84 0.18 8.37 1.01 0.12 -0.89 120.40 135.57 2bj3 s VAL 61 Ca -0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2bj3 s VAL 61 Cb -0.13 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2bj3 s VAL 61 CO -0.03 0.44 0.29 -0.72 0.00 0.00 0.00 175.10 175.09 2bj3 s TYR 62 N 0.49 0.49 -0.53 5.22 -0.85 0.18 -0.74 117.35 121.61 2bj3 s TYR 62 Ca 0.04 -0.84 -0.22 0.00 -0.52 0.00 0.00 57.07 55.53 2bj3 s TYR 62 Cb -0.13 -0.08 0.05 0.00 0.38 0.00 0.00 41.96 42.18 2bj3 s TYR 62 CO 0.01 -0.75 0.80 1.21 -1.52 0.00 0.00 175.55 175.30 2bj3 s ASN 63 N -3.00 6.29 0.00 -0.18 3.04 -0.03 0.22 114.94 121.28 2bj3 s ASN 63 Ca 0.21 -0.59 0.14 0.00 0.04 0.00 0.00 52.86 52.66 2bj3 s ASN 63 Cb 0.03 -2.37 0.66 0.00 -1.54 0.00 0.00 41.25 38.03 2bj3 s ASN 63 CO 0.03 -1.08 1.44 0.00 -3.04 0.00 0.00 177.10 174.45 2bj3 n HIS 64 N 6.90 0.00 0.71 0.43 1.44 -1.22 -1.73 115.22 121.74 2bj3 n HIS 64 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 2bj3 n HIS 64 Cb 0.47 -0.42 0.18 0.00 0.12 0.00 0.00 29.99 30.34 2bj3 n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2bj3 n ASP 65 N -1.42 0.61 0.00 4.39 8.00 -1.26 -4.69 116.55 122.19 2bj3 n ASP 65 Ca 0.05 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2bj3 n ASP 65 Cb 0.15 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2bj3 n ASP 65 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2bj3 n GLU 66 N -1.90 0.00 -1.12 -1.24 2.13 -0.71 -5.09 120.64 112.73 2bj3 n GLU 66 Ca 0.04 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.49 2bj3 n GLU 66 Cb 0.41 -0.02 0.03 0.00 0.27 0.00 0.00 31.44 32.13 2bj3 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bj3 n GLY 67 N 3.33 -3.80 1.03 8.31 0.00 -0.93 -4.88 105.19 108.25 2bj3 n GLY 67 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.63 2bj3 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bj3 n ASP 68 N 2.72 3.16 -0.09 1.61 8.00 -1.26 -4.70 116.55 126.00 2bj3 n ASP 68 Ca 0.03 -1.99 -0.00 0.00 0.71 0.00 0.00 54.79 53.54 2bj3 n ASP 68 Cb 0.52 -0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.52 2bj3 n ASP 68 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2bj3 n VAL 69 N 1.39 -0.12 -0.25 2.53 0.31 -1.26 0.22 118.33 121.14 2bj3 n VAL 69 Ca 0.16 0.52 0.01 0.00 -0.01 0.00 0.00 64.34 65.02 2bj3 n VAL 69 Cb 0.60 -0.68 0.08 0.00 -0.91 0.00 0.00 33.84 32.93 2bj3 n VAL 69 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2bj3 h VAL 70 N 0.00 0.26 0.15 2.52 2.07 -1.99 0.14 116.25 119.39 2bj3 h VAL 70 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2bj3 h VAL 70 Cb 0.13 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2bj3 h VAL 70 CO -0.22 0.00 -0.07 0.50 0.02 0.00 0.00 177.57 177.80 2bj3 h LYS 71 N -0.01 -0.20 -0.88 1.57 3.11 0.24 -2.75 116.57 117.65 2bj3 h LYS 71 Ca 0.35 0.01 0.21 0.00 -2.81 0.00 0.00 60.65 58.42 2bj3 h LYS 71 Cb 0.54 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.76 2bj3 h LYS 71 CO -0.76 0.20 0.59 0.00 -2.81 0.00 0.00 179.45 176.67 2bj3 h ALA 72 N 0.06 2.37 -0.03 5.00 0.00 -0.74 -0.98 119.26 124.95 2bj3 h ALA 72 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2bj3 h ALA 72 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bj3 h ALA 72 CO 0.03 -0.64 -0.03 -0.07 0.00 0.00 0.00 179.25 178.54 2bj3 h LEU 73 N 0.29 0.07 -0.10 0.00 3.38 -0.74 -1.93 115.31 116.28 2bj3 h LEU 73 Ca 0.45 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2bj3 h LEU 73 Cb 1.29 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 2bj3 h LEU 73 CO -0.13 0.55 -0.11 0.25 0.09 0.00 0.00 178.44 179.09 2bj3 h LEU 74 N -0.41 -0.33 -0.06 1.67 5.85 -0.93 0.58 115.31 121.68 2bj3 h LEU 74 Ca 0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2bj3 h LEU 74 Cb 0.53 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 2bj3 h LEU 74 CO 0.01 -0.14 -0.26 0.44 -0.34 0.00 0.00 178.44 178.14 2bj3 h ASP 75 N -0.13 -0.80 0.12 1.25 3.45 -1.28 -1.70 116.42 117.34 2bj3 h ASP 75 Ca 0.08 0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.61 2bj3 h ASP 75 Cb 0.24 0.34 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 2bj3 h ASP 75 CO -0.18 -0.32 -0.16 -0.07 -1.57 0.00 0.00 179.24 176.94 2bj3 h LEU 76 N -0.37 0.08 0.00 1.55 3.38 -0.96 -1.33 115.31 117.66 2bj3 h LEU 76 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2bj3 h LEU 76 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2bj3 h LEU 76 CO -0.27 0.25 0.00 1.67 0.09 0.00 0.00 178.44 180.18 2bj3 n GLN 77 N -4.31 0.51 -0.09 1.13 -0.06 0.20 -2.16 117.38 112.60 2bj3 n GLN 77 Ca -0.02 0.03 -0.15 0.00 -2.00 0.00 0.00 57.00 54.87 2bj3 n GLN 77 Cb 0.25 -1.50 -0.05 0.00 -4.06 0.00 0.00 30.24 24.88 2bj3 n GLN 77 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2bj3 n HIS 78 N -1.09 0.00 -0.10 3.69 8.25 -0.51 -3.94 115.22 121.52 2bj3 n HIS 78 Ca 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.57 2bj3 n HIS 78 Cb 0.09 -0.60 0.23 0.00 1.12 0.00 0.00 29.99 30.83 2bj3 n HIS 78 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2bj3 h GLU 79 N -0.90 0.75 -2.29 -0.41 4.81 -1.57 -3.21 114.58 111.76 2bj3 h GLU 79 Ca -0.22 -0.14 -0.63 0.00 -0.13 0.00 0.00 59.36 58.24 2bj3 h GLU 79 Cb 1.13 -0.12 -0.40 0.00 0.63 0.00 0.00 28.75 29.99 2bj3 h GLU 79 CO -0.13 0.67 -0.37 0.66 -0.73 0.00 0.00 179.01 179.11 2bj3 n TYR 80 N -4.30 3.73 1.76 0.92 4.02 -0.92 -4.80 117.16 117.57 2bj3 n TYR 80 Ca 0.03 -3.81 0.14 0.00 -0.01 0.00 0.00 57.90 54.26 2bj3 n TYR 80 Cb 0.21 -0.63 0.70 0.00 -0.02 0.00 0.00 39.34 39.60 2bj3 n TYR 80 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 2bj3 n LEU 81 N 0.12 0.65 -0.10 7.72 -0.00 -1.21 -2.86 117.00 121.32 2bj3 n LEU 81 Ca 0.32 -0.23 -0.22 0.00 -0.00 0.00 0.00 56.01 55.88 2bj3 n LEU 81 Cb 0.38 -0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.67 2bj3 n LEU 81 CO 0.40 0.12 -1.16 -0.67 -0.00 0.00 0.00 177.39 176.07 2bj3 n ASP 82 N -0.46 1.99 0.14 1.45 2.03 -1.26 -4.46 116.55 115.98 2bj3 n ASP 82 Ca 0.20 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2bj3 n ASP 82 Cb 0.20 -0.67 0.12 0.00 -0.72 0.00 0.00 41.12 40.06 2bj3 n ASP 82 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2bj3 h GLU 83 N -0.33 0.00 -4.94 -0.67 3.07 -1.72 -3.41 114.58 106.58 2bj3 h GLU 83 Ca -0.55 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 57.62 2bj3 h GLU 83 Cb 1.80 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 29.53 2bj3 h GLU 83 CO -0.14 0.60 -0.05 0.42 -1.40 0.00 0.00 179.01 178.44 2bj3 s ILE 84 N -3.26 4.96 -0.08 3.13 1.01 -1.13 -0.70 121.20 125.12 2bj3 s ILE 84 Ca 0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 2bj3 s ILE 84 Cb 0.10 -4.19 -0.25 0.00 0.01 0.00 0.00 42.46 38.13 2bj3 s ILE 84 CO 0.75 -0.64 0.95 0.40 0.00 0.00 0.00 174.94 176.39 2bj3 h ILE 85 N 5.82 1.63 -2.71 2.92 2.04 -1.20 -3.45 117.51 122.55 2bj3 h ILE 85 Ca -0.27 -2.04 0.11 0.00 1.00 0.00 0.00 64.86 63.66 2bj3 h ILE 85 Cb 1.10 2.98 -0.05 0.00 -0.74 0.00 0.00 36.82 40.10 2bj3 h ILE 85 CO 0.90 0.54 0.36 -0.94 0.00 0.00 0.00 178.15 179.01 2bj3 s SER 86 N -6.23 -0.16 -0.02 1.72 1.04 -1.21 -5.01 113.70 103.83 2bj3 s SER 86 Ca -0.17 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2bj3 s SER 86 Cb -0.01 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.78 2bj3 s SER 86 CO 0.72 -1.20 0.02 -0.44 0.98 0.00 0.00 173.24 173.31 2bj3 s SER 87 N -3.00 0.14 -0.19 7.02 0.01 -1.26 -1.13 113.70 115.29 2bj3 s SER 87 Ca 0.13 0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.35 2bj3 s SER 87 Cb -0.04 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 2bj3 s SER 87 CO 0.06 -0.10 0.04 -0.22 0.41 0.00 0.00 173.24 173.42 2bj3 s LEU 88 N 0.90 3.57 -0.06 2.44 2.96 -0.11 -4.96 118.68 123.42 2bj3 s LEU 88 Ca -0.08 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 2bj3 s LEU 88 Cb -0.11 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2bj3 s LEU 88 CO -0.02 0.13 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.72 2bj3 s HIS 89 N 0.65 2.73 -0.06 5.38 5.65 -1.26 -1.46 115.29 126.93 2bj3 s HIS 89 Ca 0.02 -0.18 -0.02 0.00 0.25 0.00 0.00 55.06 55.13 2bj3 s HIS 89 Cb -0.14 -1.65 0.04 0.00 -1.18 0.00 0.00 32.58 29.65 2bj3 s HIS 89 CO 0.02 0.17 0.10 0.14 -0.65 0.00 0.00 174.74 174.52 2bj3 s VAL 90 N -0.66 -0.16 -0.41 0.89 -7.23 -0.34 -5.01 120.40 107.48 2bj3 s VAL 90 Ca 0.10 0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 60.40 2bj3 s VAL 90 Cb -0.11 -0.21 0.02 0.00 0.56 0.00 0.00 36.38 36.64 2bj3 s VAL 90 CO 0.01 0.15 0.70 -2.28 -0.31 0.00 0.00 175.10 173.37 2bj3 s HIS 91 N 1.99 3.07 -0.15 2.82 2.46 -1.26 -0.94 115.29 123.28 2bj3 s HIS 91 Ca 0.01 0.20 -0.17 0.00 0.47 0.00 0.00 55.06 55.58 2bj3 s HIS 91 Cb -0.12 -3.39 -0.24 0.00 -0.13 0.00 0.00 32.58 28.70 2bj3 s HIS 91 CO -0.04 -0.82 0.39 0.52 -2.47 0.00 0.00 174.74 172.31 2bj3 h MET 92 N 8.74 0.13 -3.68 2.88 0.00 -1.78 -3.49 114.93 117.73 2bj3 h MET 92 Ca -0.25 -0.23 -0.17 0.00 0.00 0.00 0.00 59.70 59.05 2bj3 h MET 92 Cb 1.10 0.08 -0.05 0.00 0.00 0.00 0.00 31.60 32.73 2bj3 h MET 92 CO 0.90 1.11 -0.01 0.16 0.00 0.00 0.00 176.91 179.07 2bj3 s ASP 93 N -6.91 0.56 0.09 1.22 1.47 -1.16 -5.03 116.67 106.90 2bj3 s ASP 93 Ca -0.24 -1.34 -0.11 0.00 1.18 0.00 0.00 52.55 52.04 2bj3 s ASP 93 Cb 0.05 0.74 0.05 0.00 -0.34 0.00 0.00 42.92 43.42 2bj3 s ASP 93 CO 0.69 -1.45 0.72 1.21 0.68 0.00 0.00 175.17 177.02 2bj3 n GLU 94 N -0.55 -0.15 -0.02 2.11 4.07 -1.26 -3.40 120.64 121.44 2bj3 n GLU 94 Ca -0.03 0.71 -0.02 0.00 -0.06 0.00 0.00 57.16 57.77 2bj3 n GLU 94 Cb 0.61 -1.05 -0.01 0.00 -0.06 0.00 0.00 31.44 30.94 2bj3 n GLU 94 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2bj3 n HIS 95 N -4.64 0.17 -1.62 4.31 8.25 -1.26 -4.96 115.22 115.46 2bj3 n HIS 95 Ca 0.03 0.08 -0.54 0.00 -0.26 0.00 0.00 57.72 57.02 2bj3 n HIS 95 Cb 0.16 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 2bj3 n HIS 95 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2bj3 n ASN 96 N -2.95 1.78 -4.20 0.41 3.02 -1.22 -3.39 115.26 108.71 2bj3 n ASN 96 Ca -0.03 1.11 -0.23 0.00 -0.03 0.00 0.00 54.58 55.40 2bj3 n ASN 96 Cb 0.10 -1.16 -0.14 0.00 -0.61 0.00 0.00 39.78 37.97 2bj3 n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bj3 s LEU 98 N -1.05 1.98 -0.06 0.00 0.20 -0.11 0.51 118.68 120.14 2bj3 s LEU 98 Ca 0.05 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.50 2bj3 s LEU 98 Cb -0.08 -1.11 0.01 0.00 -0.43 0.00 0.00 46.19 44.58 2bj3 s LEU 98 CO 0.01 0.20 -0.15 -0.70 -0.29 0.00 0.00 176.35 175.42 2bj3 s GLU 99 N -0.12 1.87 -0.18 1.98 2.56 -0.07 -1.20 118.70 123.55 2bj3 s GLU 99 Ca -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 54.97 54.45 2bj3 s GLU 99 Cb -0.11 -1.54 0.03 0.00 2.00 0.00 0.00 34.13 34.51 2bj3 s GLU 99 CO 0.02 0.10 -0.12 0.08 -0.56 0.00 0.00 175.26 174.78 2bj3 s VAL 100 N 0.47 1.62 -0.25 3.70 1.01 -0.53 -0.90 120.40 125.52 2bj3 s VAL 100 Ca -0.13 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2bj3 s VAL 100 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2bj3 s VAL 100 CO 0.04 0.30 0.06 -0.63 0.00 0.00 0.00 175.10 174.87 2bj3 s ILE 101 N 1.43 4.24 -0.24 2.22 1.09 0.43 -0.93 121.20 129.44 2bj3 s ILE 101 Ca 0.02 -0.20 -0.28 0.00 -1.10 0.00 0.00 60.65 59.09 2bj3 s ILE 101 Cb -0.15 -2.98 0.01 0.00 -1.06 0.00 0.00 42.46 38.28 2bj3 s ILE 101 CO -0.09 0.34 0.97 -0.69 -0.10 0.00 0.00 174.94 175.37 2bj3 s VAL 102 N 1.60 4.72 0.24 2.92 1.01 -0.28 -1.57 120.40 129.04 2bj3 s VAL 102 Ca 0.06 1.87 0.11 0.00 0.00 0.00 0.00 61.98 64.02 2bj3 s VAL 102 Cb -0.15 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2bj3 s VAL 102 CO 0.03 -0.16 -0.19 0.68 0.00 0.00 0.00 175.10 175.47 2bj3 s VAL 103 N 3.10 2.59 -0.29 2.92 -7.23 -0.71 -0.78 120.40 120.00 2bj3 s VAL 103 Ca 0.41 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.30 2bj3 s VAL 103 Cb -0.15 -2.31 0.12 0.00 0.56 0.00 0.00 36.38 34.61 2bj3 s VAL 103 CO 0.07 -0.26 0.76 -0.75 -0.31 0.00 0.00 175.10 174.61 2bj3 s LYS 104 N -3.14 0.54 0.00 4.82 2.20 0.12 -1.64 119.74 122.64 2bj3 s LYS 104 Ca 0.26 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 2bj3 s LYS 104 Cb -0.07 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 2bj3 s LYS 104 CO 0.13 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2bj3 n GLY 105 N 4.86 -0.51 3.73 5.54 0.00 -0.58 -4.14 105.19 114.08 2bj3 n GLY 105 Ca -0.14 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2bj3 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bj3 s GLU 106 N -1.85 4.68 0.23 1.61 2.02 -1.26 -0.05 118.70 124.07 2bj3 s GLU 106 Ca 0.00 1.52 -0.08 0.00 0.02 0.00 0.00 54.97 56.43 2bj3 s GLU 106 Cb 0.00 -3.35 0.38 0.00 0.10 0.00 0.00 34.13 31.27 2bj3 s GLU 106 CO 0.00 0.19 1.66 0.00 0.02 0.00 0.00 175.26 177.13 2bj3 h ALA 107 N 5.42 0.75 -0.76 5.21 0.00 0.06 -0.98 119.26 128.95 2bj3 h ALA 107 Ca -0.43 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2bj3 h ALA 107 Cb 1.21 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 2bj3 h ALA 107 CO 0.72 -0.39 0.48 0.87 0.00 0.00 0.00 179.25 180.93 2bj3 h LYS 108 N 0.15 1.02 0.02 0.00 1.57 -1.84 0.18 116.57 117.67 2bj3 h LYS 108 Ca 0.37 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.87 2bj3 h LYS 108 Cb 0.64 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.74 2bj3 h LYS 108 CO -0.57 0.70 -0.81 0.87 -0.57 0.00 0.00 179.45 179.07 2bj3 h LYS 109 N 1.04 0.52 -0.91 3.15 1.57 -1.78 -2.18 116.57 117.99 2bj3 h LYS 109 Ca 0.28 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2bj3 h LYS 109 Cb -0.08 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2bj3 h LYS 109 CO -0.06 1.21 0.53 0.82 -0.57 0.00 0.00 179.45 181.39 2bj3 h ILE 110 N 0.08 1.25 -0.45 1.86 1.08 -0.97 -0.79 117.51 119.58 2bj3 h ILE 110 Ca -0.11 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 2bj3 h ILE 110 Cb 1.51 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 2bj3 h ILE 110 CO 0.16 0.27 0.24 0.50 -0.69 0.00 0.00 178.15 178.63 2bj3 h LYS 111 N 1.25 0.63 -0.43 2.37 1.63 -0.65 -0.87 116.57 120.52 2bj3 h LYS 111 Ca 0.32 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 2bj3 h LYS 111 Cb -0.04 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 2bj3 h LYS 111 CO -0.06 0.51 0.24 0.52 -3.45 0.00 0.00 179.45 177.21 2bj3 h MET 112 N 0.59 0.59 -0.07 1.90 2.86 -0.81 0.40 114.93 120.38 2bj3 h MET 112 Ca 0.16 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2bj3 h MET 112 Cb 0.07 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2bj3 h MET 112 CO -0.02 0.47 -0.03 0.82 1.06 0.00 0.00 176.91 179.21 2bj3 h ILE 113 N 0.55 0.90 0.24 -1.22 2.04 -0.90 -1.18 117.51 117.94 2bj3 h ILE 113 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2bj3 h ILE 113 Cb 0.05 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2bj3 h ILE 113 CO -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.01 2bj3 h ALA 114 N 1.05 -0.32 -0.91 1.87 0.00 -0.93 -1.73 119.26 118.29 2bj3 h ALA 114 Ca 0.04 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2bj3 h ALA 114 Cb 0.08 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2bj3 h ALA 114 CO -0.09 -0.66 0.59 -0.44 0.00 0.00 0.00 179.25 178.65 2bj3 h ASP 115 N -0.37 0.76 -0.07 0.00 3.32 -0.80 0.18 116.42 119.45 2bj3 h ASP 115 Ca -0.03 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2bj3 h ASP 115 Cb 0.28 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2bj3 h ASP 115 CO 0.05 0.41 -0.03 0.50 -1.72 0.00 0.00 179.24 178.45 2bj3 h LYS 116 N 0.81 0.13 -0.64 3.56 3.64 -0.99 -1.62 116.57 121.47 2bj3 h LYS 116 Ca 0.45 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.69 2bj3 h LYS 116 Cb 0.58 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2bj3 h LYS 116 CO -0.21 0.50 0.09 -0.07 -2.27 0.00 0.00 179.45 177.49 2bj3 h LEU 117 N -0.24 1.02 0.00 5.20 3.38 -0.61 -3.21 115.31 120.86 2bj3 h LEU 117 Ca 0.02 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 2bj3 h LEU 117 Cb 0.46 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.95 2bj3 h LEU 117 CO 0.01 1.02 -0.80 -0.07 0.09 0.00 0.00 178.44 178.69 2bj3 h LEU 118 N 0.99 0.70 0.00 1.67 3.38 -0.68 -3.18 115.31 118.19 2bj3 h LEU 118 Ca 0.19 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2bj3 h LEU 118 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2bj3 h LEU 118 CO 0.02 1.36 0.00 -0.24 0.09 0.00 0.00 178.44 179.67 2bj3 n SER 119 N -4.06 0.00 -4.55 -0.43 2.88 -0.61 -4.80 113.62 102.05 2bj3 n SER 119 Ca -0.11 0.35 -0.29 0.00 -1.33 0.00 0.00 58.87 57.49 2bj3 n SER 119 Cb 0.77 -0.40 0.23 0.00 -0.75 0.00 0.00 64.21 64.05 2bj3 n SER 119 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2bj3 s LEU 120 N -2.81 1.46 0.12 2.46 2.96 -1.20 -5.02 118.68 116.65 2bj3 s LEU 120 Ca 0.05 1.73 -0.14 0.00 -0.22 0.00 0.00 54.13 55.56 2bj3 s LEU 120 Cb 0.05 -3.79 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 2bj3 s LEU 120 CO 0.13 -3.87 0.51 -0.54 -1.32 0.00 0.00 176.35 171.27 2bj3 s LYS 121 N -4.52 3.95 0.00 1.98 3.01 -1.26 -3.97 119.74 118.93 2bj3 s LYS 121 Ca 0.68 0.45 0.00 0.00 -1.01 0.00 0.00 55.97 56.08 2bj3 s LYS 121 Cb -0.24 -2.98 0.00 0.00 -1.01 0.00 0.00 37.83 33.59 2bj3 s LYS 121 CO 0.62 0.52 0.00 0.41 0.51 0.00 0.00 175.35 177.41 2bj3 n GLY 122 N 0.95 3.26 3.61 -3.33 0.00 -1.26 -3.35 105.19 105.07 2bj3 n GLY 122 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2bj3 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bj3 s VAL 123 N -2.71 3.72 0.01 1.61 1.01 -1.25 -0.85 120.40 121.94 2bj3 s VAL 123 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 61.98 62.55 2bj3 s VAL 123 Cb 0.00 -3.85 -0.22 0.00 0.00 0.00 0.00 36.38 32.32 2bj3 s VAL 123 CO 0.00 -0.46 1.14 0.11 0.00 0.00 0.00 175.10 175.89 2bj3 h LYS 124 N 11.23 0.41 -2.14 2.72 1.57 -1.29 -3.48 116.57 125.58 2bj3 h LYS 124 Ca -0.32 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.02 2bj3 h LYS 124 Cb 1.14 0.10 -0.18 0.00 0.08 0.00 0.00 32.23 33.37 2bj3 h LYS 124 CO 1.03 1.05 0.19 -1.58 -0.57 0.00 0.00 179.45 179.57 2bj3 s HIS 125 N -3.38 -0.64 -0.20 -1.35 5.04 -1.15 -5.02 115.29 108.59 2bj3 s HIS 125 Ca -0.13 1.02 -0.34 0.00 -1.54 0.00 0.00 55.06 54.06 2bj3 s HIS 125 Cb 0.04 0.43 0.14 0.00 0.04 0.00 0.00 32.58 33.23 2bj3 s HIS 125 CO 0.81 -0.64 1.21 0.20 -2.34 0.00 0.00 174.74 173.97 2bj3 s GLY 126 N -1.40 -0.25 -0.04 1.59 0.00 -1.26 0.16 107.32 106.11 2bj3 s GLY 126 Ca -0.09 1.75 -0.29 0.00 0.00 0.00 0.00 44.72 46.08 2bj3 s GLY 126 CO 0.07 0.62 0.65 1.25 0.00 0.00 0.00 173.10 175.69 2bj3 s LYS 127 N -2.20 1.03 -0.29 2.90 2.20 0.98 -4.96 119.74 119.40 2bj3 s LYS 127 Ca 0.09 0.20 -0.16 0.00 -0.36 0.00 0.00 55.97 55.74 2bj3 s LYS 127 Cb -0.01 0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 2bj3 s LYS 127 CO -0.05 -0.32 0.41 -1.17 -0.36 0.00 0.00 175.35 173.86 2bj3 s LEU 128 N -1.25 4.15 -0.22 5.43 2.96 -1.26 -1.15 118.68 127.35 2bj3 s LEU 128 Ca -0.11 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2bj3 s LEU 128 Cb -0.00 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.22 2bj3 s LEU 128 CO 0.09 -0.27 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.07 2bj3 s VAL 129 N 2.15 2.87 0.17 1.68 1.01 0.12 -4.97 120.40 123.43 2bj3 s VAL 129 Ca 0.16 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2bj3 s VAL 129 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2bj3 s VAL 129 CO 0.11 0.40 0.11 0.00 0.00 0.00 0.00 175.10 175.72 2bj3 s MET 130 N 1.39 1.10 0.03 2.72 0.23 0.29 -0.27 119.30 124.78 2bj3 s MET 130 Ca 0.04 -1.53 -0.04 0.00 -1.03 0.00 0.00 55.69 53.14 2bj3 s MET 130 Cb -0.15 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.41 2bj3 s MET 130 CO -0.06 -0.35 0.05 -0.08 -2.03 0.00 0.00 175.02 172.55 2bj3 s THR 131 N -4.10 0.14 -0.17 3.16 -1.32 -0.27 -0.82 115.64 112.25 2bj3 s THR 131 Ca 0.32 -1.12 -0.14 0.00 -1.21 0.00 0.00 61.69 59.54 2bj3 s THR 131 Cb 0.07 -0.80 -0.06 0.00 -1.51 0.00 0.00 72.50 70.20 2bj3 s THR 131 CO 0.07 -0.62 -0.24 -0.24 -2.21 0.00 0.00 174.62 171.38 2bj3 n SER 132 N 0.92 1.87 0.00 8.08 2.88 -1.26 -1.20 113.62 124.92 2bj3 n SER 132 Ca -0.20 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2bj3 n SER 132 Cb 0.58 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2bj3 n SER 132 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2bj3 n THR 133 N -4.52 0.57 -0.24 2.46 -2.24 -1.26 -4.61 114.28 104.43 2bj3 n THR 133 Ca -0.14 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2bj3 n THR 133 Cb 0.42 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2bj3 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bj3 n GLY 134 N -0.28 0.62 0.12 3.38 0.00 -1.26 -4.92 105.19 102.85 2bj3 n GLY 134 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2bj3 n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bj3 h LYS 135 N 4.51 0.00 -3.56 1.61 1.57 -1.98 -3.46 116.57 115.26 2bj3 h LYS 135 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2bj3 h LYS 135 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.06 2bj3 h LYS 135 CO 0.00 0.00 -0.60 -1.21 -0.57 0.00 0.00 179.45 177.07 2bj3 s GLU 136 N -3.28 0.21 -0.26 3.15 0.41 -1.26 -5.13 118.70 112.54 2bj3 s GLU 136 Ca 0.03 -0.06 -0.02 0.00 -0.41 0.00 0.00 54.97 54.51 2bj3 s GLU 136 Cb 0.10 0.09 0.08 0.00 -1.78 0.00 0.00 34.13 32.62 2bj3 s GLU 136 CO 0.75 -0.04 0.07 -1.17 -0.49 0.00 0.00 175.26 174.37 2bj3 s LEU 137 N -0.41 1.80 0.00 1.80 2.96 -1.26 -4.22 118.68 119.36 2bj3 s LEU 137 Ca -0.05 -1.30 0.01 0.00 -0.22 0.00 0.00 54.13 52.57 2bj3 s LEU 137 Cb -0.03 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.90 2bj3 s LEU 137 CO 0.00 -0.36 0.52 0.52 -1.32 0.00 0.00 176.35 175.71