#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwd n GLU 2 N 0.00 -2.42 -2.30 0.03 4.71 -1.26 -4.89 120.64 114.51 1fwd n GLU 2 Ca 0.00 0.52 -0.42 0.00 -0.01 0.00 0.00 57.16 57.25 1fwd n GLU 2 Cb 0.00 -4.57 -0.03 0.00 -1.01 0.00 0.00 31.44 25.83 1fwd n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1fwd s LEU 3 N -6.49 4.32 0.77 -4.62 1.43 -1.26 -5.02 118.68 107.80 1fwd s LEU 3 Ca 0.30 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 1fwd s LEU 3 Cb -0.10 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.61 1fwd s LEU 3 CO 0.84 -0.65 1.14 0.42 0.23 0.00 0.00 176.35 178.34 1fwd s THR 4 N 2.06 2.66 0.24 5.49 -4.23 -1.26 -4.89 115.64 115.70 1fwd s THR 4 Ca 0.61 0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 61.28 1fwd s THR 4 Cb -0.30 -3.20 0.20 0.00 1.34 0.00 0.00 72.50 70.53 1fwd s THR 4 CO 0.26 -0.28 1.82 -0.65 -0.54 0.00 0.00 174.62 175.23 1fwd h PRO 5 N -0.89 0.78 -0.21 3.99 0.11 -2.00 -2.38 132.00 131.39 1fwd h PRO 5 Ca -0.46 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1fwd h PRO 5 Cb 1.30 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1fwd h PRO 5 CO 0.65 0.51 0.03 0.07 -0.21 0.00 0.00 178.00 179.05 1fwd h ARG 6 N 0.80 0.30 -0.23 1.05 0.11 -1.99 -0.18 114.38 114.25 1fwd h ARG 6 Ca 0.37 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 60.23 1fwd h ARG 6 Cb 0.28 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1fwd h ARG 6 CO -0.22 0.30 -0.56 0.93 0.10 0.00 0.00 179.97 180.52 1fwd h GLU 7 N 0.30 0.78 -0.15 0.08 5.08 -1.81 -2.23 114.58 116.62 1fwd h GLU 7 Ca 0.07 -0.53 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 1fwd h GLU 7 Cb 0.15 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1fwd h GLU 7 CO -0.00 1.16 -0.33 0.87 -1.00 0.00 0.00 179.01 179.71 1fwd h LYS 8 N 0.52 0.31 -0.53 2.33 1.57 -1.10 -2.74 116.57 116.93 1fwd h LYS 8 Ca -0.01 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1fwd h LYS 8 Cb 1.18 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1fwd h LYS 8 CO 0.12 0.60 -0.01 0.22 -0.57 0.00 0.00 179.45 179.81 1fwd h ASP 9 N 0.27 0.93 0.51 0.86 -0.00 -0.88 -2.32 116.42 115.79 1fwd h ASP 9 Ca 0.03 -0.31 -0.03 0.00 -0.00 0.00 0.00 57.03 56.72 1fwd h ASP 9 Cb 0.71 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 39.79 1fwd h ASP 9 CO 0.05 1.02 -0.13 0.11 -0.00 0.00 0.00 179.24 180.29 1fwd h LYS 10 N 0.82 0.00 0.00 0.28 1.79 -1.18 -1.65 116.57 116.64 1fwd h LYS 10 Ca 0.15 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.57 1fwd h LYS 10 Cb 0.55 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1fwd h LYS 10 CO 0.03 0.13 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.24 1fwd h LEU 11 N 0.00 0.00 -0.31 2.94 3.38 -1.12 -0.95 115.31 119.24 1fwd h LEU 11 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1fwd h LEU 11 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fwd h LEU 11 CO 0.02 0.23 -0.33 0.25 0.09 0.00 0.00 178.44 178.70 1fwd h LEU 12 N 0.00 0.83 -0.33 1.67 6.46 -1.30 -2.01 115.31 120.63 1fwd h LEU 12 Ca -0.00 -0.47 -0.04 0.00 -0.12 0.00 0.00 57.88 57.25 1fwd h LEU 12 Cb 0.48 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1fwd h LEU 12 CO 0.03 1.13 0.06 0.25 -0.62 0.00 0.00 178.44 179.29 1fwd h LEU 13 N 0.53 0.52 -0.37 2.25 5.85 -1.33 -1.34 115.31 121.42 1fwd h LEU 13 Ca 0.05 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1fwd h LEU 13 Cb 0.90 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1fwd h LEU 13 CO 0.08 0.64 0.15 0.15 -0.34 0.00 0.00 178.44 179.12 1fwd h PHE 14 N 0.37 0.27 -0.51 1.25 3.57 -1.18 -1.38 116.94 119.33 1fwd h PHE 14 Ca 0.10 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1fwd h PHE 14 Cb 0.34 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1fwd h PHE 14 CO 0.02 0.12 -0.01 1.15 -2.23 0.00 0.00 178.31 177.36 1fwd h THR 15 N 0.32 1.25 -0.63 4.41 2.02 -1.23 -1.99 112.91 117.07 1fwd h THR 15 Ca 0.17 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1fwd h THR 15 Cb 0.12 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1fwd h THR 15 CO -0.15 0.38 0.28 0.00 0.37 0.00 0.00 175.52 176.39 1fwd h ALA 16 N 1.18 1.31 0.00 6.16 0.00 -0.77 -2.27 119.26 124.87 1fwd h ALA 16 Ca 0.15 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1fwd h ALA 16 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fwd h ALA 16 CO 0.02 0.52 -0.50 0.00 0.00 0.00 0.00 179.25 179.30 1fwd h ALA 17 N 1.41 1.12 -0.54 0.00 0.00 -0.71 -2.81 119.26 117.73 1fwd h ALA 17 Ca 0.22 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1fwd h ALA 17 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1fwd h ALA 17 CO -0.02 0.62 0.00 -0.07 0.00 0.00 0.00 179.25 179.78 1fwd h LEU 18 N 0.00 0.90 -0.03 0.00 3.38 -0.79 -0.49 115.31 118.28 1fwd h LEU 18 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1fwd h LEU 18 Cb 0.91 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1fwd h LEU 18 CO 0.06 0.95 0.02 0.58 0.09 0.00 0.00 178.44 180.15 1fwd h VAL 19 N 0.85 1.03 -0.52 1.22 2.07 -1.27 -2.38 116.25 117.24 1fwd h VAL 19 Ca 0.16 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1fwd h VAL 19 Cb 0.50 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1fwd h VAL 19 CO 0.02 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.83 1fwd h ALA 20 N 0.98 0.68 -0.51 1.67 0.00 -1.31 -2.61 119.26 118.17 1fwd h ALA 20 Ca 0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1fwd h ALA 20 Cb 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1fwd h ALA 20 CO -0.00 0.31 0.24 1.49 0.00 0.00 0.00 179.25 181.28 1fwd h GLU 21 N 0.71 0.44 -0.27 0.00 4.81 -1.04 0.99 114.58 120.23 1fwd h GLU 21 Ca 0.17 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1fwd h GLU 21 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1fwd h GLU 21 CO -0.01 0.29 -0.19 0.00 -0.73 0.00 0.00 179.01 178.37 1fwd h ARG 22 N 0.46 0.48 -0.13 1.92 3.08 -1.27 -1.93 114.38 116.99 1fwd h ARG 22 Ca 0.23 -0.16 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 1fwd h ARG 22 Cb 0.17 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1fwd h ARG 22 CO -0.18 0.66 -0.78 0.00 -1.07 0.00 0.00 179.97 178.59 1fwd h ARG 23 N 0.44 0.77 -0.72 0.04 3.08 -1.01 -2.75 114.38 114.22 1fwd h ARG 23 Ca 0.07 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 1fwd h ARG 23 Cb 0.59 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1fwd h ARG 23 CO 0.04 1.25 0.42 1.25 -1.07 0.00 0.00 179.97 181.86 1fwd h LEU 24 N 0.49 0.87 -1.41 3.04 5.85 -0.71 -1.74 115.31 121.71 1fwd h LEU 24 Ca -0.06 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1fwd h LEU 24 Cb 1.42 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1fwd h LEU 24 CO 0.16 0.68 -0.10 0.00 -0.34 0.00 0.00 178.44 178.85 1fwd h ALA 25 N 1.47 1.51 0.00 1.25 0.00 -1.26 -1.10 119.26 121.14 1fwd h ALA 25 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fwd h ALA 25 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1fwd h ALA 25 CO -0.05 0.35 0.00 0.54 0.00 0.00 0.00 179.25 180.09 1fwd n ARG 26 N -4.29 0.11 -0.30 0.00 1.74 -0.70 -4.90 116.66 108.32 1fwd n ARG 26 Ca -0.00 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1fwd n ARG 26 Cb 0.25 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1fwd n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwd n GLY 27 N 0.95 0.97 3.88 -0.13 0.00 -0.41 -5.08 105.19 105.36 1fwd n GLY 27 Ca 0.05 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1fwd n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwd s LEU 28 N 0.00 3.79 -0.27 0.99 1.43 -0.95 -5.03 118.68 118.63 1fwd s LEU 28 Ca 0.00 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.04 1fwd s LEU 28 Cb 0.00 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 1fwd s LEU 28 CO 0.00 -0.44 0.68 -0.54 0.23 0.00 0.00 176.35 176.29 1fwd s LYS 29 N -3.97 4.06 0.59 1.70 1.02 -1.26 -4.56 119.74 117.32 1fwd s LYS 29 Ca 0.51 0.57 -0.19 0.00 0.02 0.00 0.00 55.97 56.89 1fwd s LYS 29 Cb -0.10 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 1fwd s LYS 29 CO 0.33 -0.50 1.19 -0.51 -0.92 0.00 0.00 175.35 174.94 1fwd s LEU 30 N 2.64 3.68 0.00 3.17 1.43 -0.23 -4.36 118.68 125.01 1fwd s LEU 30 Ca 0.28 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1fwd s LEU 30 Cb -0.15 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.48 1fwd s LEU 30 CO 0.09 -1.53 0.04 -0.46 0.23 0.00 0.00 176.35 174.73 1fwd n ASN 31 N -1.55 0.08 0.50 2.29 0.23 -1.26 -0.85 115.26 114.69 1fwd n ASN 31 Ca 0.13 -1.06 -0.19 0.00 -0.53 0.00 0.00 54.58 52.93 1fwd n ASN 31 Cb 0.50 -0.03 -0.09 0.00 -2.08 0.00 0.00 39.78 38.08 1fwd n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1fwd h TYR 32 N -0.24 -1.17 -0.49 -2.53 3.20 -1.97 -2.05 116.97 111.73 1fwd h TYR 32 Ca -0.01 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1fwd h TYR 32 Cb 0.06 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1fwd h TYR 32 CO 0.00 -0.73 0.28 -1.00 -1.64 0.00 0.00 178.16 175.07 1fwd h PRO 33 N -1.27 0.66 -0.72 1.82 0.13 -2.00 -2.43 132.00 128.19 1fwd h PRO 33 Ca -0.13 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.89 1fwd h PRO 33 Cb 0.97 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 1fwd h PRO 33 CO 0.21 0.47 0.23 0.93 -0.23 0.00 0.00 178.00 179.61 1fwd h GLU 34 N 0.67 1.11 -0.16 0.86 5.08 -1.92 -1.88 114.58 118.34 1fwd h GLU 34 Ca 0.17 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1fwd h GLU 34 Cb -0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1fwd h GLU 34 CO -0.03 0.95 -0.00 0.77 -1.00 0.00 0.00 179.01 179.70 1fwd h SER 35 N 1.06 0.28 -0.69 1.42 0.02 -0.95 -1.84 113.55 112.84 1fwd h SER 35 Ca 0.23 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1fwd h SER 35 Cb 0.30 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1fwd h SER 35 CO -0.01 0.52 0.45 0.58 -1.14 0.00 0.00 176.83 177.24 1fwd h VAL 36 N 0.03 1.18 -0.47 2.27 2.07 -1.37 -2.39 116.25 117.57 1fwd h VAL 36 Ca 0.05 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1fwd h VAL 36 Cb 0.38 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1fwd h VAL 36 CO 0.01 0.18 0.07 0.00 0.02 0.00 0.00 177.57 177.85 1fwd h ALA 37 N 1.25 0.63 -0.11 1.67 0.00 -1.29 -1.57 119.26 119.83 1fwd h ALA 37 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fwd h ALA 37 Cb -0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1fwd h ALA 37 CO -0.05 0.36 0.05 1.25 0.00 0.00 0.00 179.25 180.85 1fwd h LEU 38 N 0.65 0.16 -0.56 0.00 5.85 -1.15 -1.08 115.31 119.18 1fwd h LEU 38 Ca 0.14 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1fwd h LEU 38 Cb 0.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1fwd h LEU 38 CO 0.01 0.27 -0.12 0.40 -0.34 0.00 0.00 178.44 178.66 1fwd h ILE 39 N 0.03 1.27 -0.13 4.05 2.04 -1.46 -2.32 117.51 120.98 1fwd h ILE 39 Ca 0.04 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1fwd h ILE 39 Cb 0.17 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1fwd h ILE 39 CO -0.00 0.45 0.08 0.28 0.00 0.00 0.00 178.15 178.96 1fwd h SER 40 N 0.91 0.16 -0.06 1.72 0.02 -1.18 -2.28 113.55 112.84 1fwd h SER 40 Ca 0.14 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1fwd h SER 40 Cb 0.69 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1fwd h SER 40 CO 0.05 0.17 -0.04 0.00 -1.14 0.00 0.00 176.83 175.87 1fwd h ALA 41 N 1.00 1.59 -0.37 3.77 0.00 -1.15 -2.10 119.26 122.00 1fwd h ALA 41 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1fwd h ALA 41 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fwd h ALA 41 CO -0.01 0.30 0.18 0.35 0.00 0.00 0.00 179.25 180.07 1fwd h PHE 42 N 0.26 0.53 -0.58 0.00 3.57 -0.89 -2.56 116.94 117.27 1fwd h PHE 42 Ca 0.06 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1fwd h PHE 42 Cb 0.25 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1fwd h PHE 42 CO 0.00 0.45 0.17 0.82 -2.23 0.00 0.00 178.31 177.52 1fwd h ILE 43 N 0.46 1.24 -0.87 1.41 2.04 -0.91 -1.81 117.51 119.08 1fwd h ILE 43 Ca 0.13 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1fwd h ILE 43 Cb 0.12 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1fwd h ILE 43 CO -0.02 0.32 0.58 0.24 0.00 0.00 0.00 178.15 179.27 1fwd h MET 44 N 0.83 1.11 -0.04 2.37 2.86 -1.19 -1.03 114.93 119.84 1fwd h MET 44 Ca 0.19 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.62 1fwd h MET 44 Cb 0.31 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1fwd h MET 44 CO -0.00 0.73 -0.62 0.93 1.06 0.00 0.00 176.91 179.01 1fwd h GLU 45 N 1.14 0.14 -0.61 1.72 4.39 -1.26 -2.35 114.58 117.74 1fwd h GLU 45 Ca 0.33 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1fwd h GLU 45 Cb -0.06 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1fwd h GLU 45 CO -0.09 0.72 0.33 0.78 -1.16 0.00 0.00 179.01 179.59 1fwd h GLY 46 N 1.64 0.92 1.35 -3.84 0.00 -0.35 -1.01 103.07 101.78 1fwd h GLY 46 Ca -0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1fwd h GLY 46 CO 0.09 0.41 -0.06 0.00 0.00 0.00 0.00 176.54 176.98 1fwd h ALA 47 N 1.15 1.04 -0.26 3.60 0.00 -1.04 -2.17 119.26 121.57 1fwd h ALA 47 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1fwd h ALA 47 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1fwd h ALA 47 CO -0.03 0.59 -0.05 -0.09 0.00 0.00 0.00 179.25 179.66 1fwd h ARG 48 N 0.72 0.41 0.00 0.00 9.65 -0.87 -1.91 114.38 122.38 1fwd h ARG 48 Ca 0.13 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1fwd h ARG 48 Cb 0.53 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1fwd h ARG 48 CO 0.03 0.48 -0.14 -0.44 2.80 0.00 0.00 179.97 182.70 1fwd h ASP 49 N 0.39 0.00 0.00 -3.80 3.32 -0.71 -3.47 116.42 112.16 1fwd h ASP 49 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1fwd h ASP 49 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1fwd h ASP 49 CO 0.01 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 1fwd n GLY 50 N 0.34 1.07 3.79 2.75 0.00 -0.72 -5.08 105.19 107.33 1fwd n GLY 50 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1fwd n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwd s LYS 51 N -0.43 3.17 0.67 1.61 1.02 -0.86 -4.94 119.74 119.99 1fwd s LYS 51 Ca 0.00 1.35 -0.11 0.00 0.02 0.00 0.00 55.97 57.23 1fwd s LYS 51 Cb 0.00 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 1fwd s LYS 51 CO 0.00 -0.95 1.06 -1.54 -0.92 0.00 0.00 175.35 173.00 1fwd s SER 52 N -2.48 5.69 0.16 2.83 1.04 -1.26 -4.65 113.70 115.03 1fwd s SER 52 Ca 0.67 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 58.32 1fwd s SER 52 Cb -0.19 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.67 1fwd s SER 52 CO 0.36 -1.21 1.79 0.58 0.98 0.00 0.00 173.24 175.73 1fwd h VAL 53 N -0.56 1.15 -0.65 5.02 2.07 -1.96 -2.55 116.25 118.77 1fwd h VAL 53 Ca -0.44 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 66.81 1fwd h VAL 53 Cb 1.22 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1fwd h VAL 53 CO 0.61 0.15 0.32 0.00 0.02 0.00 0.00 177.57 178.68 1fwd h ALA 54 N 1.13 0.87 -0.48 1.67 0.00 -1.97 -0.85 119.26 119.63 1fwd h ALA 54 Ca 0.17 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1fwd h ALA 54 Cb -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fwd h ALA 54 CO -0.03 -0.05 0.13 0.77 0.00 0.00 0.00 179.25 180.06 1fwd h SER 55 N 0.57 0.73 -0.33 0.00 0.02 -1.90 -3.06 113.55 109.58 1fwd h SER 55 Ca 0.31 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1fwd h SER 55 Cb 0.28 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1fwd h SER 55 CO -0.23 0.76 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.99 1fwd h LEU 56 N 0.66 0.79 -2.18 5.07 3.38 -1.02 0.84 115.31 122.84 1fwd h LEU 56 Ca 0.15 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1fwd h LEU 56 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1fwd h LEU 56 CO 0.00 0.96 0.21 0.24 0.09 0.00 0.00 178.44 179.94 1fwd h MET 57 N 0.71 0.00 0.00 1.13 2.86 -1.07 0.76 114.93 119.31 1fwd h MET 57 Ca 0.11 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 1fwd h MET 57 Cb 0.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1fwd h MET 57 CO 0.05 0.00 -1.07 -1.91 1.06 0.00 0.00 176.91 175.03 1fwd n GLU 58 N -3.92 0.52 -0.01 1.72 4.07 -0.93 -4.44 120.64 117.65 1fwd n GLU 58 Ca 0.02 0.50 0.14 0.00 -0.06 0.00 0.00 57.16 57.77 1fwd n GLU 58 Cb 0.35 -1.68 0.59 0.00 -0.06 0.00 0.00 31.44 30.63 1fwd n GLU 58 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1fwd h GLU 59 N -1.00 0.20 0.00 5.31 5.08 -0.51 -1.49 114.58 122.17 1fwd h GLU 59 Ca -0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1fwd h GLU 59 Cb 1.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1fwd h GLU 59 CO -0.13 0.13 0.00 0.78 -1.00 0.00 0.00 179.01 178.79 1fwd h GLY 60 N 0.21 0.00 -0.15 -3.84 0.00 -1.07 -2.12 103.07 96.10 1fwd h GLY 60 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1fwd h GLY 60 CO -0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.04 1fwd n ARG 61 N -3.01 1.36 -0.26 4.80 1.74 -0.56 -3.74 116.66 116.99 1fwd n ARG 61 Ca -0.01 -0.54 0.07 0.00 -0.77 0.00 0.00 57.85 56.60 1fwd n ARG 61 Cb 0.16 -1.32 0.11 0.00 -1.02 0.00 0.00 32.46 30.39 1fwd n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1fwd n HIS 62 N -0.23 0.00 0.03 -1.55 8.25 -0.80 -4.71 115.22 116.22 1fwd n HIS 62 Ca 0.14 -0.82 -0.21 0.00 -0.26 0.00 0.00 57.72 56.57 1fwd n HIS 62 Cb 0.19 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 31.02 1fwd n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1fwd h VAL 63 N 1.82 1.17 -3.99 1.59 2.07 -1.69 -3.47 116.25 113.74 1fwd h VAL 63 Ca -0.01 -2.45 -0.37 0.00 0.82 0.00 0.00 66.70 64.69 1fwd h VAL 63 Cb 1.11 2.86 -0.25 0.00 -1.52 0.00 0.00 31.29 33.50 1fwd h VAL 63 CO 0.00 0.71 -0.77 -0.76 0.02 0.00 0.00 177.57 176.78 1fwd s LEU 64 N -7.63 2.15 0.37 2.57 1.43 -1.26 -5.10 118.68 111.21 1fwd s LEU 64 Ca -0.18 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1fwd s LEU 64 Cb 0.03 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1fwd s LEU 64 CO 0.79 -0.02 0.17 0.42 0.23 0.00 0.00 176.35 177.94 1fwd s THR 65 N -0.80 2.70 0.54 5.49 -4.23 -1.26 -4.27 115.64 113.81 1fwd s THR 65 Ca -0.01 -1.67 0.24 0.00 -1.18 0.00 0.00 61.69 59.06 1fwd s THR 65 Cb -0.07 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 71.16 1fwd s THR 65 CO 0.01 -0.10 2.04 -0.09 -0.54 0.00 0.00 174.62 175.94 1fwd h ARG 66 N 1.46 0.00 -0.00 3.99 2.43 -1.89 -0.80 114.38 119.57 1fwd h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1fwd h ARG 66 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1fwd h ARG 66 CO 0.65 0.00 -0.03 -0.85 -1.51 0.00 0.00 179.97 178.23 1fwd n GLU 67 N -4.33 0.74 0.00 0.20 0.00 -1.26 -3.30 120.64 112.69 1fwd n GLU 67 Ca 0.06 -0.13 0.08 0.00 0.00 0.00 0.00 57.16 57.18 1fwd n GLU 67 Cb 0.46 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.46 1fwd n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1fwd n GLN 68 N -1.02 1.44 -4.43 3.44 6.02 -0.31 -4.96 117.38 117.55 1fwd n GLN 68 Ca 0.17 -1.35 -0.22 0.00 -0.01 0.00 0.00 57.00 55.60 1fwd n GLN 68 Cb 0.22 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 1fwd n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1fwd s VAL 69 N -1.53 1.77 0.85 5.09 -7.23 -1.21 -1.07 120.40 117.08 1fwd s VAL 69 Ca 0.18 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1fwd s VAL 69 Cb 0.14 -2.42 0.10 0.00 0.56 0.00 0.00 36.38 34.77 1fwd s VAL 69 CO 0.26 -0.33 1.09 -0.04 -0.31 0.00 0.00 175.10 175.77 1fwd s MET 70 N -3.69 1.60 0.34 4.82 -1.94 -0.03 -4.76 119.30 115.64 1fwd s MET 70 Ca 0.29 1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 55.01 1fwd s MET 70 Cb 0.03 -1.83 -0.11 0.00 2.01 0.00 0.00 34.83 34.93 1fwd s MET 70 CO 0.12 -2.06 1.44 -2.00 -0.01 0.00 0.00 175.02 172.50 1fwd s GLU 71 N -4.89 4.20 0.00 2.03 2.12 -1.26 -2.33 118.70 118.57 1fwd s GLU 71 Ca 0.63 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.39 1fwd s GLU 71 Cb -0.18 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1fwd s GLU 71 CO 0.57 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1fwd n GLY 72 N 0.91 3.13 0.16 -1.50 0.00 -1.26 -4.89 105.19 101.74 1fwd n GLY 72 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1fwd n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fwd h VAL 73 N 0.00 1.09 -0.74 1.61 2.07 -1.84 -2.53 116.25 115.92 1fwd h VAL 73 Ca 0.00 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.47 1fwd h VAL 73 Cb 0.00 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1fwd h VAL 73 CO 0.00 0.09 0.49 -0.65 0.02 0.00 0.00 177.57 177.52 1fwd h PRO 74 N 0.48 0.50 0.00 1.57 0.11 -1.90 -0.10 132.00 132.66 1fwd h PRO 74 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1fwd h PRO 74 Cb -0.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1fwd h PRO 74 CO -0.03 0.33 0.00 0.93 -0.21 0.00 0.00 178.00 179.02 1fwd h GLU 75 N 0.51 0.00 0.00 1.05 3.07 -1.83 -3.00 114.58 114.38 1fwd h GLU 75 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1fwd h GLU 75 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1fwd h GLU 75 CO -0.12 0.00 -0.20 -1.33 -1.40 0.00 0.00 179.01 175.96 1fwd n MET 76 N -2.87 0.02 -3.67 2.33 2.81 -0.07 -4.43 117.12 111.25 1fwd n MET 76 Ca 0.04 0.01 -0.27 0.00 -1.81 0.00 0.00 57.70 55.66 1fwd n MET 76 Cb 0.46 -1.52 -0.11 0.00 -0.71 0.00 0.00 33.22 31.35 1fwd n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1fwd n ILE 77 N -1.55 1.13 0.29 2.02 5.41 -1.09 -4.92 119.36 120.66 1fwd n ILE 77 Ca 0.06 -4.63 0.18 0.00 1.00 0.00 0.00 62.75 59.37 1fwd n ILE 77 Cb 0.34 -2.06 0.86 0.00 -0.71 0.00 0.00 39.64 38.08 1fwd n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1fwd h PRO 78 N 5.09 0.00 -2.14 0.38 0.13 -1.77 -3.40 132.00 130.29 1fwd h PRO 78 Ca 0.18 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.46 1fwd h PRO 78 Cb 0.77 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.75 1fwd h PRO 78 CO 0.66 0.02 0.55 0.16 -0.23 0.00 0.00 178.00 179.17 1fwd s ASP 79 N -5.59 -0.29 -0.02 1.44 1.47 -1.26 -0.22 116.67 112.19 1fwd s ASP 79 Ca -0.01 -0.07 0.03 0.00 1.18 0.00 0.00 52.55 53.68 1fwd s ASP 79 Cb 0.11 0.36 -0.00 0.00 -0.34 0.00 0.00 42.92 43.04 1fwd s ASP 79 CO 0.51 -0.60 -0.11 -0.63 0.68 0.00 0.00 175.17 175.03 1fwd s ILE 80 N -3.02 0.88 -0.01 2.11 1.01 -0.13 -4.94 121.20 117.09 1fwd s ILE 80 Ca 0.07 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1fwd s ILE 80 Cb -0.01 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1fwd s ILE 80 CO -0.06 0.26 -0.12 -1.10 0.00 0.00 0.00 174.94 173.92 1fwd s GLN 81 N 0.02 1.02 -0.09 2.79 -0.21 -1.26 -0.69 119.66 121.24 1fwd s GLN 81 Ca -0.00 -0.42 -0.27 0.00 0.02 0.00 0.00 55.36 54.69 1fwd s GLN 81 Cb -0.07 -0.97 0.06 0.00 1.00 0.00 0.00 33.01 33.03 1fwd s GLN 81 CO 0.00 0.23 0.62 0.54 -2.12 0.00 0.00 175.29 174.56 1fwd s VAL 82 N -0.17 0.01 0.13 1.09 0.11 -0.99 -5.01 120.40 115.57 1fwd s VAL 82 Ca 0.03 -0.07 0.09 0.00 -2.93 0.00 0.00 61.98 59.09 1fwd s VAL 82 Cb -0.06 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1fwd s VAL 82 CO -0.00 -0.04 -0.15 -1.61 -3.33 0.00 0.00 175.10 169.97 1fwd s GLU 83 N -0.85 1.91 0.18 1.54 2.02 -1.26 -1.38 118.70 120.86 1fwd s GLU 83 Ca -0.09 -1.17 -0.17 0.00 0.02 0.00 0.00 54.97 53.56 1fwd s GLU 83 Cb -0.02 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 32.08 1fwd s GLU 83 CO 0.07 0.48 0.50 0.00 0.02 0.00 0.00 175.26 176.33 1fwd s ALA 84 N -1.29 -0.97 -0.60 5.21 0.00 -1.13 -4.95 121.76 118.04 1fwd s ALA 84 Ca 0.20 -0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 1fwd s ALA 84 Cb -0.10 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.88 1fwd s ALA 84 CO 0.12 -0.77 1.09 0.99 0.00 0.00 0.00 175.76 177.19 1fwd s THR 85 N -3.85 4.14 0.77 0.00 2.01 -1.26 -2.44 115.64 115.01 1fwd s THR 85 Ca 0.08 0.51 -0.08 0.00 0.31 0.00 0.00 61.69 62.50 1fwd s THR 85 Cb -0.00 -4.68 0.11 0.00 0.01 0.00 0.00 72.50 67.93 1fwd s THR 85 CO -0.05 -1.33 1.09 -0.36 -0.69 0.00 0.00 174.62 173.28 1fwd s PHE 86 N 4.61 2.38 0.56 4.92 0.08 0.52 -4.43 117.98 126.62 1fwd s PHE 86 Ca 0.36 0.30 0.24 0.00 0.12 0.00 0.00 56.93 57.95 1fwd s PHE 86 Cb -0.10 -3.39 1.52 0.00 -0.57 0.00 0.00 43.02 40.48 1fwd s PHE 86 CO 0.21 -1.77 2.13 -1.35 -0.10 0.00 0.00 175.22 174.33 1fwd h PRO 87 N -0.85 0.00 -0.92 0.24 0.11 -1.92 -1.36 132.00 127.30 1fwd h PRO 87 Ca -0.43 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.19 1fwd h PRO 87 Cb 1.29 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.11 1fwd h PRO 87 CO 0.52 0.00 0.57 -0.40 -0.21 0.00 0.00 178.00 178.48 1fwd n ASP 88 N -4.15 3.83 0.00 -2.05 3.85 -1.26 -5.06 116.55 111.70 1fwd n ASP 88 Ca 0.01 -3.64 0.00 0.00 -0.71 0.00 0.00 54.79 50.44 1fwd n ASP 88 Cb 0.26 -0.82 0.00 0.00 -1.35 0.00 0.00 41.12 39.21 1fwd n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fwd n GLY 89 N -1.13 -2.58 3.73 6.12 0.00 -0.51 -4.95 105.19 105.87 1fwd n GLY 89 Ca 0.57 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 1fwd n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fwd s SER 90 N -2.66 6.87 0.04 1.61 0.01 -1.26 -0.36 113.70 117.94 1fwd s SER 90 Ca 0.00 2.40 -0.02 0.00 1.31 0.00 0.00 55.95 59.64 1fwd s SER 90 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1fwd s SER 90 CO 0.00 -0.57 0.01 -0.54 0.41 0.00 0.00 173.24 172.56 1fwd s LYS 91 N 0.13 0.50 -0.22 12.44 -0.14 -1.02 -4.92 119.74 126.51 1fwd s LYS 91 Ca 0.59 -0.85 -0.10 0.00 -1.36 0.00 0.00 55.97 54.25 1fwd s LYS 91 Cb -0.37 0.18 -0.05 0.00 -1.68 0.00 0.00 37.83 35.91 1fwd s LYS 91 CO 0.37 -0.10 0.14 -1.17 -0.76 0.00 0.00 175.35 173.82 1fwd s LEU 92 N -2.14 4.09 -0.18 3.17 2.96 -1.26 -2.84 118.68 122.47 1fwd s LEU 92 Ca -0.05 0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1fwd s LEU 92 Cb -0.01 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1fwd s LEU 92 CO -0.05 0.11 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.39 1fwd s VAL 93 N 0.78 4.02 -0.18 1.68 1.01 -0.48 -5.00 120.40 122.24 1fwd s VAL 93 Ca 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1fwd s VAL 93 Cb -0.13 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1fwd s VAL 93 CO 0.02 0.45 -0.18 -0.89 0.00 0.00 0.00 175.10 174.50 1fwd s THR 94 N 0.72 2.27 -0.32 3.92 2.01 -1.26 -2.35 115.64 120.63 1fwd s THR 94 Ca -0.00 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 1fwd s THR 94 Cb -0.14 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.45 1fwd s THR 94 CO 0.02 0.52 0.06 -0.69 -0.69 0.00 0.00 174.62 173.85 1fwd s VAL 95 N 1.19 3.55 0.19 3.82 1.01 0.13 -4.72 120.40 125.58 1fwd s VAL 95 Ca 0.02 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 60.60 1fwd s VAL 95 Cb -0.14 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 1fwd s VAL 95 CO -0.09 -0.11 0.83 -1.00 0.00 0.00 0.00 175.10 174.73 1fwd s HIS 96 N 1.37 3.93 -1.10 5.22 3.76 -1.26 -0.96 115.29 126.25 1fwd s HIS 96 Ca -0.02 1.72 -0.26 0.00 -0.15 0.00 0.00 55.06 56.35 1fwd s HIS 96 Cb -0.19 -2.84 0.04 0.00 1.11 0.00 0.00 32.58 30.70 1fwd s HIS 96 CO 0.01 0.50 0.65 0.09 -0.85 0.00 0.00 174.74 175.14 1fwd n ASN 97 N 1.58 -4.22 0.15 1.40 3.02 0.69 -4.84 115.26 113.03 1fwd n ASN 97 Ca -0.04 -1.22 0.08 0.00 -0.03 0.00 0.00 54.58 53.37 1fwd n ASN 97 Cb 0.48 -1.56 0.58 0.00 -0.61 0.00 0.00 39.78 38.67 1fwd n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fwd h PRO 98 N -1.99 0.15 -5.08 3.52 0.13 -1.77 -3.41 132.00 123.56 1fwd h PRO 98 Ca -0.69 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 63.78 1fwd h PRO 98 Cb 1.39 -0.03 -0.25 0.00 0.13 0.00 0.00 31.00 32.24 1fwd h PRO 98 CO 0.47 0.10 -0.68 0.42 -0.23 0.00 0.00 178.00 178.08 1fwd s ILE 99 N -5.19 3.74 0.00 -3.56 1.01 -1.26 -4.32 121.20 111.62 1fwd s ILE 99 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1fwd s ILE 99 Cb 0.18 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1fwd s ILE 99 CO 0.69 0.42 0.04 2.30 0.00 0.00 0.00 174.94 178.40