#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlj s ALA 23 N 0.00 1.98 0.11 -0.43 0.00 -1.26 -4.88 121.76 117.28 2nlj s ALA 23 Ca 0.00 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 2nlj s ALA 23 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 2nlj s ALA 23 CO 0.00 -2.07 1.70 1.25 0.00 0.00 0.00 175.76 176.64 2nlj h LEU 24 N -0.73 -0.25 -1.66 0.00 5.85 -2.04 -2.60 115.31 113.88 2nlj h LEU 24 Ca -0.46 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.39 2nlj h LEU 24 Cb 1.28 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 2nlj h LEU 24 CO 0.48 -0.12 0.37 1.12 -0.34 0.00 0.00 178.44 179.95 2nlj h HIS 25 N -0.12 0.41 0.02 1.25 2.07 -1.95 0.21 115.15 117.04 2nlj h HIS 25 Ca 0.05 0.01 -0.20 0.00 -2.85 0.00 0.00 60.37 57.38 2nlj h HIS 25 Cb 0.19 -0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.02 2nlj h HIS 25 CO -0.17 0.21 -0.94 -1.49 -3.07 0.00 0.00 177.93 172.47 2nlj h TRP 26 N 0.40 0.16 -0.16 6.12 -0.00 -1.88 -1.98 115.95 118.61 2nlj h TRP 26 Ca 0.25 -0.10 -0.09 0.00 -0.00 0.00 0.00 58.89 58.95 2nlj h TRP 26 Cb 0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.60 2nlj h TRP 26 CO -0.00 0.98 -0.24 0.00 -0.00 0.00 0.00 178.44 179.18 2nlj h ARG 27 N 0.04 0.44 -0.80 0.49 3.08 -0.86 -1.89 114.38 114.88 2nlj h ARG 27 Ca -0.04 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.76 2nlj h ARG 27 Cb 1.62 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.66 2nlj h ARG 27 CO 0.13 0.85 0.52 0.00 -1.07 0.00 0.00 179.97 180.41 2nlj h ALA 28 N 0.58 1.01 -0.10 0.04 0.00 -0.66 0.45 119.26 120.60 2nlj h ALA 28 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2nlj h ALA 28 Cb 0.81 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2nlj h ALA 28 CO 0.05 0.44 0.04 0.00 0.00 0.00 0.00 179.25 179.78 2nlj h ALA 29 N 1.29 0.11 0.04 0.00 0.00 -1.28 0.39 119.26 119.81 2nlj h ALA 29 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2nlj h ALA 29 Cb -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nlj h ALA 29 CO -0.06 -0.41 -0.05 0.78 0.00 0.00 0.00 179.25 179.51 2nlj h GLY 30 N 0.10 -0.08 0.53 0.00 0.00 -0.70 -0.95 103.07 101.97 2nlj h GLY 30 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2nlj h GLY 30 CO -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 176.54 176.40 2nlj h ALA 31 N 0.86 0.16 -1.00 3.60 0.00 0.22 -1.27 119.26 121.83 2nlj h ALA 31 Ca 0.01 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2nlj h ALA 31 Cb 0.11 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2nlj h ALA 31 CO -0.03 -0.47 0.63 0.00 0.00 0.00 0.00 179.25 179.38 2nlj h ALA 32 N 1.24 1.49 -0.14 0.00 0.00 0.15 0.84 119.26 122.84 2nlj h ALA 32 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2nlj h ALA 32 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2nlj h ALA 32 CO -0.24 0.23 0.03 1.15 0.00 0.00 0.00 179.25 180.42 2nlj h THR 33 N 1.00 1.21 -0.59 0.00 2.02 -0.09 0.15 112.91 116.61 2nlj h THR 33 Ca 0.49 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2nlj h THR 33 Cb 0.46 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2nlj h THR 33 CO -0.26 0.20 0.37 0.58 0.37 0.00 0.00 175.52 176.78 2nlj h VAL 34 N 0.02 1.17 -0.63 3.16 2.07 -0.57 -1.32 116.25 120.14 2nlj h VAL 34 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2nlj h VAL 34 Cb 0.29 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2nlj h VAL 34 CO 0.00 0.17 0.30 0.25 0.02 0.00 0.00 177.57 178.31 2nlj h LEU 35 N 0.80 0.83 -0.38 2.57 6.46 -0.70 -2.05 115.31 122.85 2nlj h LEU 35 Ca 0.21 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2nlj h LEU 35 Cb -0.04 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 2nlj h LEU 35 CO -0.04 0.74 0.24 0.25 -0.62 0.00 0.00 178.44 179.01 2nlj h LEU 36 N 0.87 0.44 -1.67 2.25 5.85 -0.20 0.01 115.31 122.85 2nlj h LEU 36 Ca 0.22 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2nlj h LEU 36 Cb 0.13 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2nlj h LEU 36 CO -0.03 0.33 0.25 0.58 -0.34 0.00 0.00 178.44 179.23 2nlj h VAL 37 N 0.50 1.06 -0.11 1.05 2.07 -0.97 0.30 116.25 120.15 2nlj h VAL 37 Ca 0.14 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 2nlj h VAL 37 Cb -0.04 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2nlj h VAL 37 CO -0.03 0.08 -0.40 0.40 0.02 0.00 0.00 177.57 177.64 2nlj h ILE 38 N 0.45 1.38 -0.77 4.57 2.04 -0.59 -2.40 117.51 122.18 2nlj h ILE 38 Ca 0.15 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.30 2nlj h ILE 38 Cb 0.04 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 2nlj h ILE 38 CO -0.03 0.51 0.50 0.58 0.00 0.00 0.00 178.15 179.71 2nlj h VAL 39 N 0.05 1.17 -0.00 1.67 2.07 -0.38 0.63 116.25 121.46 2nlj h VAL 39 Ca -0.02 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2nlj h VAL 39 Cb 1.03 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2nlj h VAL 39 CO 0.08 0.18 -0.24 -0.07 0.02 0.00 0.00 177.57 177.55 2nlj h LEU 40 N 1.01 -0.72 0.27 2.57 3.38 -0.33 0.71 115.31 122.20 2nlj h LEU 40 Ca 0.29 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 2nlj h LEU 40 Cb -0.07 0.30 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nlj h LEU 40 CO -0.08 -0.31 -0.13 -0.07 0.09 0.00 0.00 178.44 177.94 2nlj h LEU 41 N -0.38 -0.30 -0.85 1.67 3.38 -1.08 0.79 115.31 118.54 2nlj h LEU 41 Ca 0.06 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2nlj h LEU 41 Cb 0.46 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2nlj h LEU 41 CO -0.22 -0.12 0.54 0.00 0.09 0.00 0.00 178.44 178.73 2nlj h ALA 42 N 0.24 1.14 -0.93 1.53 0.00 -0.75 -1.40 119.26 119.09 2nlj h ALA 42 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2nlj h ALA 42 Cb 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2nlj h ALA 42 CO 0.06 0.35 0.55 0.78 0.00 0.00 0.00 179.25 180.98 2nlj h GLY 43 N 1.03 1.36 0.93 0.00 0.00 0.70 0.15 103.07 107.24 2nlj h GLY 43 Ca 0.35 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2nlj h GLY 43 CO -0.14 0.56 0.13 1.76 0.00 0.00 0.00 176.54 178.86 2nlj h SER 44 N 1.29 0.46 -0.41 0.19 0.02 0.17 -1.04 113.55 114.23 2nlj h SER 44 Ca 0.33 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2nlj h SER 44 Cb -0.03 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2nlj h SER 44 CO -0.06 0.51 0.07 0.22 -1.14 0.00 0.00 176.83 176.42 2nlj h TYR 45 N 0.39 0.73 -0.03 3.45 3.20 -0.87 -2.95 116.97 120.90 2nlj h TYR 45 Ca 0.11 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 2nlj h TYR 45 Cb 0.19 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2nlj h TYR 45 CO -0.00 0.71 -0.59 -0.07 -1.64 0.00 0.00 178.16 176.57 2nlj h LEU 46 N 0.54 0.09 -0.57 2.82 3.38 -0.64 -2.85 115.31 118.08 2nlj h LEU 46 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2nlj h LEU 46 Cb 0.37 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2nlj h LEU 46 CO 0.01 0.66 0.22 0.00 0.09 0.00 0.00 178.44 179.42 2nlj h ALA 47 N 1.34 0.74 -0.68 1.53 0.00 -1.11 0.95 119.26 122.03 2nlj h ALA 47 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2nlj h ALA 47 Cb 1.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2nlj h ALA 47 CO 0.08 0.36 0.25 0.28 0.00 0.00 0.00 179.25 180.22 2nlj h VAL 48 N 0.78 1.25 -0.58 0.00 2.07 -1.45 0.83 116.25 119.14 2nlj h VAL 48 Ca 0.19 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 2nlj h VAL 48 Cb 0.21 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2nlj h VAL 48 CO -0.01 0.31 0.03 0.25 0.02 0.00 0.00 177.57 178.17 2nlj h LEU 49 N 0.97 0.98 -0.13 2.57 5.85 -1.25 -0.85 115.31 123.46 2nlj h LEU 49 Ca 0.22 -0.29 -0.24 0.00 0.84 0.00 0.00 57.88 58.42 2nlj h LEU 49 Cb 0.24 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.02 2nlj h LEU 49 CO -0.01 1.03 -0.86 0.00 -0.34 0.00 0.00 178.44 178.25 2nlj h ALA 50 N 0.99 0.28 0.10 1.25 0.00 -0.46 -3.37 119.26 118.04 2nlj h ALA 50 Ca 0.17 -0.64 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 2nlj h ALA 50 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.33 2nlj h ALA 50 CO 0.02 0.70 -1.08 0.93 0.00 0.00 0.00 179.25 179.82 2nlj h GLU 51 N 0.47 0.56 -6.70 0.00 4.39 -0.80 -3.45 114.58 109.05 2nlj h GLU 51 Ca -0.08 -0.74 -0.55 0.00 0.34 0.00 0.00 59.36 58.34 2nlj h GLU 51 Cb 1.50 0.24 0.08 0.00 -0.10 0.00 0.00 28.75 30.47 2nlj h GLU 51 CO 0.17 1.32 0.81 0.54 -1.16 0.00 0.00 179.01 180.69 2nlj n ARG 52 N -3.90 2.47 0.00 2.33 1.74 -0.33 -1.15 116.66 117.82 2nlj n ARG 52 Ca -0.13 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 2nlj n ARG 52 Cb 0.91 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 2nlj n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nlj n GLY 53 N 2.39 0.93 3.32 -0.13 0.00 -1.26 -4.95 105.19 105.48 2nlj n GLY 53 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2nlj n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nlj s ALA 54 N -2.13 3.22 0.13 4.61 0.00 -0.30 -5.06 121.76 122.23 2nlj s ALA 54 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 51.96 49.78 2nlj s ALA 54 Cb 0.00 -2.53 -0.16 0.00 0.00 0.00 0.00 23.12 20.43 2nlj s ALA 54 CO 0.00 -1.45 1.26 -2.30 0.00 0.00 0.00 175.76 173.27 2nlj n PRO 55 N 4.93 1.20 0.00 0.00 -0.02 -1.26 -1.07 135.00 138.78 2nlj n PRO 55 Ca -0.11 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2nlj n PRO 55 Cb 0.45 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2nlj n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nlj n GLY 56 N 2.28 1.88 3.77 -1.23 0.00 -1.26 -5.04 105.19 105.60 2nlj n GLY 56 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2nlj n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nlj s ALA 57 N -2.47 3.52 -0.16 4.61 0.00 -0.23 -4.94 121.76 122.09 2nlj s ALA 57 Ca 0.00 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.39 2nlj s ALA 57 Cb 0.00 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 2nlj s ALA 57 CO 0.00 -0.79 0.20 1.04 0.00 0.00 0.00 175.76 176.21 2nlj n GLN 58 N 0.67 2.77 -1.58 0.00 6.02 -1.26 -4.71 117.38 119.29 2nlj n GLN 58 Ca 0.00 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.63 2nlj n GLN 58 Cb 0.41 -0.95 -0.04 0.00 1.02 0.00 0.00 30.24 30.67 2nlj n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2nlj n LEU 59 N -1.41 7.57 -0.16 1.08 7.94 -1.26 -4.55 117.00 126.22 2nlj n LEU 59 Ca 0.00 -4.36 0.01 0.00 -1.11 0.00 0.00 56.01 50.56 2nlj n LEU 59 Cb 0.13 -1.40 0.03 0.00 0.53 0.00 0.00 43.42 42.71 2nlj n LEU 59 CO 0.13 1.96 0.47 2.30 -1.11 0.00 0.00 177.39 181.14 2nlj n ILE 60 N 2.17 0.74 -4.22 1.96 -5.35 -1.26 -3.95 119.36 109.45 2nlj n ILE 60 Ca 0.62 -0.87 -0.19 0.00 -0.27 0.00 0.00 62.75 62.04 2nlj n ILE 60 Cb 0.39 0.65 -0.12 0.00 -1.74 0.00 0.00 39.64 38.81 2nlj n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2nlj s THR 61 N -0.80 1.10 0.07 7.28 -4.23 -1.26 -4.94 115.64 112.86 2nlj s THR 61 Ca 0.05 -1.20 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 2nlj s THR 61 Cb 0.03 -1.04 -0.11 0.00 1.34 0.00 0.00 72.50 72.73 2nlj s THR 61 CO 0.04 -0.15 1.56 1.88 -0.54 0.00 0.00 174.62 177.40 2nlj h TYR 62 N 4.50 0.30 -0.49 3.99 0.99 -1.94 -2.45 116.97 121.86 2nlj h TYR 62 Ca -0.40 -0.04 0.10 0.00 2.00 0.00 0.00 58.73 60.39 2nlj h TYR 62 Cb 1.19 -0.08 -0.09 0.00 1.00 0.00 0.00 36.73 38.75 2nlj h TYR 62 CO 0.60 0.43 -0.06 -1.35 -0.00 0.00 0.00 178.16 177.77 2nlj h PRO 63 N 0.09 0.05 -0.01 4.88 0.11 -1.98 -0.39 132.00 134.74 2nlj h PRO 63 Ca 0.05 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.98 2nlj h PRO 63 Cb 0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 2nlj h PRO 63 CO 0.00 0.03 -0.80 0.07 -0.21 0.00 0.00 178.00 177.10 2nlj h ARG 64 N 0.05 0.14 -0.54 1.05 0.11 -1.98 -2.82 114.38 110.39 2nlj h ARG 64 Ca 0.24 -0.13 0.02 0.00 0.10 0.00 0.00 59.98 60.21 2nlj h ARG 64 Cb 0.37 0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.46 2nlj h ARG 64 CO -0.46 0.86 0.36 0.00 0.10 0.00 0.00 179.97 180.82 2nlj h ALA 65 N 1.09 1.66 -0.28 0.08 0.00 -0.88 0.56 119.26 121.50 2nlj h ALA 65 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2nlj h ALA 65 Cb 1.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2nlj h ALA 65 CO 0.12 0.29 -0.32 1.25 0.00 0.00 0.00 179.25 180.59 2nlj h LEU 66 N 0.68 0.62 -0.39 0.00 5.85 -0.85 0.03 115.31 121.25 2nlj h LEU 66 Ca 0.20 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2nlj h LEU 66 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2nlj h LEU 66 CO -0.05 0.90 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.69 2nlj h TRP 67 N 0.51 0.77 -0.86 1.25 -0.00 -0.82 -1.91 115.95 114.89 2nlj h TRP 67 Ca 0.06 -0.14 0.02 0.00 -0.00 0.00 0.00 58.89 58.83 2nlj h TRP 67 Cb 0.81 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 29.72 2nlj h TRP 67 CO 0.03 0.79 0.57 2.35 -0.00 0.00 0.00 178.44 182.18 2nlj h TRP 68 N 0.53 1.07 -0.28 2.65 7.01 0.42 0.10 115.95 127.46 2nlj h TRP 68 Ca 0.11 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.01 2nlj h TRP 68 Cb 0.49 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 2nlj h TRP 68 CO 0.04 0.65 -0.34 0.66 -2.79 0.00 0.00 178.44 176.66 2nlj h SER 69 N 1.14 0.64 -0.21 2.65 4.64 -0.76 0.27 113.55 121.92 2nlj h SER 69 Ca 0.33 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 2nlj h SER 69 Cb -0.09 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2nlj h SER 69 CO -0.09 0.93 -0.03 0.58 -0.87 0.00 0.00 176.83 177.36 2nlj h VAL 70 N 0.52 1.27 0.09 0.95 2.07 -0.93 0.19 116.25 120.41 2nlj h VAL 70 Ca 0.06 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.62 2nlj h VAL 70 Cb 0.84 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 2nlj h VAL 70 CO 0.07 0.30 -0.31 -0.33 0.02 0.00 0.00 177.57 177.32 2nlj h GLU 71 N 0.14 -0.50 0.17 1.57 5.08 -0.54 -1.71 114.58 118.78 2nlj h GLU 71 Ca 0.06 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2nlj h GLU 71 Cb 0.46 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2nlj h GLU 71 CO 0.02 -0.33 -0.25 1.15 -1.00 0.00 0.00 179.01 178.60 2nlj h THR 72 N -0.52 0.46 -0.04 1.13 2.02 -0.33 -0.23 112.91 115.40 2nlj h THR 72 Ca 0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.23 2nlj h THR 72 Cb 0.56 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2nlj h THR 72 CO -0.20 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.75 2nlj h ALA 73 N 0.24 1.47 -0.02 6.16 0.00 -0.46 -0.62 119.26 126.03 2nlj h ALA 73 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nlj h ALA 73 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2nlj h ALA 73 CO -0.11 -0.08 -0.44 0.25 0.00 0.00 0.00 179.25 178.87 2nlj n THR 74 N -3.64 0.00 -2.93 0.00 -2.24 -0.66 -4.05 114.28 100.77 2nlj n THR 74 Ca -0.02 -0.28 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 2nlj n THR 74 Cb 0.14 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2nlj n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2nlj n THR 75 N 0.03 -1.06 0.30 4.28 -2.24 -0.15 -4.85 114.28 110.60 2nlj n THR 75 Ca 0.09 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.04 2nlj n THR 75 Cb 0.46 -2.18 0.95 0.00 -2.10 0.00 0.00 70.33 67.46 2nlj n THR 75 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2nlj h VAL 76 N -0.67 0.37 -5.11 2.28 3.04 -1.77 -3.47 116.25 110.93 2nlj h VAL 76 Ca -0.40 -0.13 -0.33 0.00 -1.01 0.00 0.00 66.70 64.82 2nlj h VAL 76 Cb 1.28 1.09 0.12 0.00 -2.01 0.00 0.00 31.29 31.77 2nlj h VAL 76 CO 0.48 0.02 -0.58 0.61 -1.01 0.00 0.00 177.57 177.09 2nlj n GLY 77 N -1.07 -0.31 0.12 3.17 0.00 -1.26 -4.93 105.19 100.90 2nlj n GLY 77 Ca -0.03 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2nlj n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2nlj h TYR 78 N -2.24 0.00 -0.72 1.61 0.99 -1.94 -3.47 116.97 111.19 2nlj h TYR 78 Ca -0.48 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.04 2nlj h TYR 78 Cb 1.31 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 38.98 2nlj h TYR 78 CO 0.42 0.68 -0.21 0.41 -0.00 0.00 0.00 178.16 179.47 2nlj n GLY 79 N 0.48 0.88 0.10 3.88 0.00 -1.26 -4.90 105.19 104.37 2nlj n GLY 79 Ca -0.01 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.59 2nlj n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2nlj h ASP 80 N 0.00 0.00 -3.88 1.61 2.03 -2.03 -3.46 116.42 110.69 2nlj h ASP 80 Ca -0.22 -0.10 -0.12 0.00 -0.73 0.00 0.00 57.03 55.86 2nlj h ASP 80 Cb 0.79 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.05 2nlj h ASP 80 CO 0.30 0.05 -0.24 -0.76 -1.03 0.00 0.00 179.24 177.56 2nlj s LEU 81 N -4.89 0.45 -0.07 0.15 1.43 -1.26 -5.09 118.68 109.40 2nlj s LEU 81 Ca 0.04 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 2nlj s LEU 81 Cb 0.11 1.39 0.09 0.00 0.03 0.00 0.00 46.19 47.82 2nlj s LEU 81 CO 0.73 -0.14 0.80 -0.72 0.23 0.00 0.00 176.35 177.26 2nlj s TYR 82 N 0.22 -0.52 0.59 0.29 -0.85 -1.26 -5.01 117.35 110.80 2nlj s TYR 82 Ca -0.00 0.81 -0.18 0.00 -0.52 0.00 0.00 57.07 57.18 2nlj s TYR 82 Cb -0.03 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2nlj s TYR 82 CO 0.01 -0.53 1.13 -1.25 -1.52 0.00 0.00 175.55 173.39 2nlj s PRO 83 N -1.53 3.12 0.00 -3.49 0.04 -1.26 -4.69 135.00 127.19 2nlj s PRO 83 Ca -0.05 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2nlj s PRO 83 Cb -0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2nlj s PRO 83 CO 0.04 -1.02 0.28 1.33 0.04 0.00 0.00 177.00 177.66 2nlj n VAL 84 N -1.72 0.00 -3.86 -0.36 0.24 -1.26 -4.83 118.33 106.54 2nlj n VAL 84 Ca 0.11 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.34 61.71 2nlj n VAL 84 Cb 0.51 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.86 2nlj n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2nlj s THR 85 N -0.42 3.70 0.09 3.34 -4.23 -1.26 -4.99 115.64 111.86 2nlj s THR 85 Ca 0.00 -1.37 -0.26 0.00 -1.18 0.00 0.00 61.69 58.88 2nlj s THR 85 Cb 0.00 -3.23 -0.16 0.00 1.34 0.00 0.00 72.50 70.45 2nlj s THR 85 CO 0.00 -0.21 1.71 0.25 -0.54 0.00 0.00 174.62 175.83 2nlj h LEU 86 N 1.29 -0.23 -1.03 4.79 5.85 -1.97 0.99 115.31 125.01 2nlj h LEU 86 Ca -0.45 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 2nlj h LEU 86 Cb 1.25 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2nlj h LEU 86 CO 0.59 -0.16 0.14 -0.50 -0.34 0.00 0.00 178.44 178.17 2nlj h TRP 87 N -0.26 0.86 -0.52 1.25 -0.00 -1.96 -0.03 115.95 115.30 2nlj h TRP 87 Ca -0.02 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.89 58.74 2nlj h TRP 87 Cb 0.20 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 2nlj h TRP 87 CO -0.07 0.72 0.13 0.78 -0.00 0.00 0.00 178.44 180.00 2nlj h GLY 88 N 0.97 0.89 1.11 1.49 0.00 -1.80 0.20 103.07 105.94 2nlj h GLY 88 Ca 0.18 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2nlj h GLY 88 CO -0.00 0.52 0.30 3.21 0.00 0.00 0.00 176.54 180.56 2nlj h ARG 89 N 0.72 1.13 -0.51 4.80 3.08 -0.13 0.12 114.38 123.60 2nlj h ARG 89 Ca 0.16 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2nlj h ARG 89 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2nlj h ARG 89 CO 0.00 0.92 0.30 0.00 -1.07 0.00 0.00 179.97 180.12 2nlj h VAL 91 N 0.68 1.18 -0.56 0.00 2.07 -0.33 -2.18 116.25 117.11 2nlj h VAL 91 Ca 0.18 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2nlj h VAL 91 Cb 0.01 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2nlj h VAL 91 CO -0.03 0.20 0.19 0.00 0.02 0.00 0.00 177.57 177.95 2nlj h ALA 92 N 1.54 0.73 -0.25 1.67 0.00 0.22 -1.68 119.26 121.48 2nlj h ALA 92 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nlj h ALA 92 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2nlj h ALA 92 CO -0.03 0.38 0.14 0.28 0.00 0.00 0.00 179.25 180.01 2nlj h VAL 93 N 0.78 1.11 -0.52 0.00 2.07 -0.39 -0.68 116.25 118.62 2nlj h VAL 93 Ca 0.18 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2nlj h VAL 93 Cb 0.25 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2nlj h VAL 93 CO -0.01 0.11 0.30 0.58 0.02 0.00 0.00 177.57 178.57 2nlj h VAL 94 N 0.30 1.03 0.25 2.57 2.07 -1.29 -1.02 116.25 120.15 2nlj h VAL 94 Ca 0.09 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2nlj h VAL 94 Cb 0.06 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2nlj h VAL 94 CO -0.01 0.11 -0.12 0.58 0.02 0.00 0.00 177.57 178.14 2nlj h VAL 95 N 0.59 0.81 -0.77 2.57 2.07 -1.03 -0.69 116.25 119.80 2nlj h VAL 95 Ca 0.21 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2nlj h VAL 95 Cb 0.05 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2nlj h VAL 95 CO -0.11 0.10 0.49 1.62 0.02 0.00 0.00 177.57 179.69 2nlj h VAL 96 N -0.57 1.21 -0.72 2.57 3.04 -1.08 -0.09 116.25 120.61 2nlj h VAL 96 Ca -0.03 -0.42 -0.05 0.00 -1.01 0.00 0.00 66.70 65.19 2nlj h VAL 96 Cb 0.42 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.77 2nlj h VAL 96 CO 0.06 0.21 0.25 0.58 -1.01 0.00 0.00 177.57 177.66 2nlj h VAL 97 N 1.05 1.25 -0.35 1.51 2.07 -1.14 0.31 116.25 120.95 2nlj h VAL 97 Ca 0.28 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 2nlj h VAL 97 Cb -0.08 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2nlj h VAL 97 CO -0.06 0.33 -0.19 0.00 0.02 0.00 0.00 177.57 177.67 2nlj h ALA 98 N 1.22 1.01 -0.12 1.67 0.00 -0.52 -1.22 119.26 121.31 2nlj h ALA 98 Ca 0.24 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2nlj h ALA 98 Cb 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2nlj h ALA 98 CO -0.01 0.59 -0.11 0.78 0.00 0.00 0.00 179.25 180.50 2nlj h GLY 99 N 0.98 0.30 0.96 0.00 0.00 -0.14 -0.78 103.07 104.40 2nlj h GLY 99 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2nlj h GLY 99 CO 0.05 0.28 0.14 -2.22 0.00 0.00 0.00 176.54 174.78 2nlj h ILE 100 N -0.11 1.11 -0.10 2.60 2.04 -0.33 -1.68 117.51 121.03 2nlj h ILE 100 Ca 0.02 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.61 2nlj h ILE 100 Cb 0.63 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2nlj h ILE 100 CO 0.03 0.11 0.03 0.74 0.00 0.00 0.00 178.15 179.05 2nlj h THR 101 N 0.29 0.97 -0.69 -0.27 2.02 -1.25 -0.06 112.91 113.92 2nlj h THR 101 Ca 0.09 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2nlj h THR 101 Cb 0.05 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2nlj h THR 101 CO -0.01 0.01 0.44 0.28 0.37 0.00 0.00 175.52 176.61 2nlj h SER 102 N 0.08 0.81 0.47 4.18 0.02 -1.01 0.14 113.55 118.24 2nlj h SER 102 Ca 0.04 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2nlj h SER 102 Cb 0.03 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2nlj h SER 102 CO -0.05 0.61 -0.56 -0.26 -1.14 0.00 0.00 176.83 175.43 2nlj h PHE 103 N 0.94 0.13 -0.04 3.45 -1.00 -1.16 -2.15 116.94 117.11 2nlj h PHE 103 Ca 0.25 -0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.86 2nlj h PHE 103 Cb -0.07 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 2nlj h PHE 103 CO -0.02 0.64 -0.56 0.78 -1.61 0.00 0.00 178.31 177.54 2nlj h GLY 104 N 1.58 0.12 1.02 -1.45 0.00 -0.48 -1.98 103.07 101.89 2nlj h GLY 104 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 2nlj h GLY 104 CO 0.08 0.13 -0.01 -2.00 0.00 0.00 0.00 176.54 174.74 2nlj h LEU 105 N 0.08 0.88 -0.47 3.11 6.46 -0.31 0.13 115.31 125.19 2nlj h LEU 105 Ca -0.00 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.42 2nlj h LEU 105 Cb 1.01 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 2nlj h LEU 105 CO 0.08 0.98 0.20 0.58 -0.62 0.00 0.00 178.44 179.66 2nlj h VAL 106 N 0.76 1.20 -0.44 1.05 2.07 -1.22 0.17 116.25 119.84 2nlj h VAL 106 Ca 0.14 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2nlj h VAL 106 Cb 0.53 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2nlj h VAL 106 CO 0.03 0.22 0.19 0.74 0.02 0.00 0.00 177.57 178.77 2nlj h THR 107 N 0.61 0.90 -0.38 2.57 2.02 -0.99 0.13 112.91 117.78 2nlj h THR 107 Ca 0.16 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 2nlj h THR 107 Cb 0.16 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2nlj h THR 107 CO -0.02 0.07 0.01 0.00 0.37 0.00 0.00 175.52 175.96 2nlj h ALA 108 N 1.27 1.32 -0.22 6.16 0.00 -0.46 -1.44 119.26 125.89 2nlj h ALA 108 Ca 0.20 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2nlj h ALA 108 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2nlj h ALA 108 CO -0.18 0.47 -0.42 0.00 0.00 0.00 0.00 179.25 179.12 2nlj h ALA 109 N 1.45 0.86 0.00 0.00 0.00 0.56 -1.88 119.26 120.25 2nlj h ALA 109 Ca 0.12 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2nlj h ALA 109 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2nlj h ALA 109 CO 0.01 0.65 -0.49 -0.07 0.00 0.00 0.00 179.25 179.35 2nlj h LEU 110 N 0.43 0.00 -0.23 0.00 3.38 -0.27 -1.76 115.31 116.87 2nlj h LEU 110 Ca 0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 2nlj h LEU 110 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.68 2nlj h LEU 110 CO 0.08 0.49 -0.79 0.00 0.09 0.00 0.00 178.44 178.31 2nlj h ALA 111 N 1.51 0.39 -0.52 1.53 0.00 -0.92 -1.32 119.26 119.94 2nlj h ALA 111 Ca -0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 2nlj h ALA 111 Cb 0.95 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2nlj h ALA 111 CO 0.06 0.72 0.05 1.15 0.00 0.00 0.00 179.25 181.23 2nlj h THR 112 N 0.43 1.24 0.26 0.00 2.02 -1.08 0.21 112.91 116.00 2nlj h THR 112 Ca -0.05 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 2nlj h THR 112 Cb 1.40 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2nlj h THR 112 CO 0.15 0.34 -0.13 -0.25 0.37 0.00 0.00 175.52 176.01 2nlj h TRP 113 N 0.79 -0.33 -0.57 3.16 7.01 -1.21 -0.77 115.95 124.04 2nlj h TRP 113 Ca 0.16 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.17 2nlj h TRP 113 Cb 0.41 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 2nlj h TRP 113 CO 0.02 -0.08 0.36 0.74 -2.79 0.00 0.00 178.44 176.70 2nlj h PHE 114 N -0.54 0.68 -0.79 2.65 0.04 -0.83 -1.02 116.94 117.13 2nlj h PHE 114 Ca -0.04 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2nlj h PHE 114 Cb 0.40 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 2nlj h PHE 114 CO -0.01 0.41 0.32 0.28 -0.60 0.00 0.00 178.31 178.71 2nlj h VAL 115 N 0.73 1.26 -0.45 -0.55 2.07 -0.53 0.07 116.25 118.85 2nlj h VAL 115 Ca 0.22 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 2nlj h VAL 115 Cb -0.03 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2nlj h VAL 115 CO -0.08 0.33 0.03 1.23 0.02 0.00 0.00 177.57 179.11 2nlj h GLY 116 N 1.16 0.83 1.66 2.17 0.00 -0.70 -2.38 103.07 105.81 2nlj h GLY 116 Ca 0.27 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 2nlj h GLY 116 CO -0.02 0.54 -0.38 0.07 0.00 0.00 0.00 176.54 176.74 2nlj h ARG 117 N 0.62 0.38 0.00 4.80 0.11 -0.94 -2.59 114.38 116.75 2nlj h ARG 117 Ca 0.13 -0.18 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 2nlj h ARG 117 Cb 0.44 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 2nlj h ARG 117 CO 0.02 0.71 -0.37 1.49 0.10 0.00 0.00 179.97 181.91 2nlj h GLU 118 N 0.32 0.00 -0.25 0.08 4.57 -0.83 -0.79 114.58 117.68 2nlj h GLU 118 Ca 0.03 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.03 2nlj h GLU 118 Cb 0.82 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2nlj h GLU 118 CO 0.07 0.37 -0.57 1.96 -1.18 0.00 0.00 179.01 179.66 2nlj h GLN 119 N 0.00 0.80 -0.23 1.92 1.08 -1.13 -2.96 115.11 114.59 2nlj h GLN 119 Ca -0.00 -0.52 -0.02 0.00 -1.45 0.00 0.00 58.65 56.66 2nlj h GLN 119 Cb 0.71 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 2nlj h GLN 119 CO 0.05 1.15 0.09 0.93 -0.95 0.00 0.00 178.83 180.09 2nlj h GLU 120 N 0.61 0.35 0.00 1.46 5.08 -1.08 -1.51 114.58 119.50 2nlj h GLU 120 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2nlj h GLU 120 Cb 1.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2nlj h GLU 120 CO 0.12 0.41 0.00 -2.13 -1.00 0.00 0.00 179.01 176.41 2nlj n ARG 121 N -4.79 0.00 -0.47 2.33 0.63 -0.34 0.99 116.66 115.02 2nlj n ARG 121 Ca -0.03 0.42 0.08 0.00 -0.92 0.00 0.00 57.85 57.40 2nlj n ARG 121 Cb 0.14 -1.50 0.27 0.00 0.45 0.00 0.00 32.46 31.82 2nlj n ARG 121 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2nlj n ARG 122 N -1.42 3.31 -2.76 -0.14 1.74 -0.60 -4.94 116.66 111.85 2nlj n ARG 122 Ca 0.00 -2.69 -0.13 0.00 -0.77 0.00 0.00 57.85 54.25 2nlj n ARG 122 Cb 0.00 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 29.68 2nlj n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nlj n GLY 123 N 0.25 -0.49 0.00 -0.13 0.00 0.28 -5.07 105.19 100.03 2nlj n GLY 123 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2nlj n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93