#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2not h LEU 2 N 0.00 0.00 -0.30 -4.53 4.07 -1.83 -1.89 115.31 110.83 2not h LEU 2 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2not h LEU 2 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2not h LEU 2 CO 0.00 0.22 -0.29 0.58 -1.08 0.00 0.00 178.44 177.87 2not h VAL 3 N 0.00 1.30 -0.13 1.22 2.07 -1.99 -1.98 116.25 116.74 2not h VAL 3 Ca -0.00 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 2not h VAL 3 Cb 0.81 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2not h VAL 3 CO 0.03 0.47 -0.33 1.56 0.02 0.00 0.00 177.57 179.32 2not h GLN 4 N 0.49 0.25 0.01 1.57 4.20 -1.96 -1.65 115.11 118.02 2not h GLN 4 Ca 0.05 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2not h GLN 4 Cb 0.86 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2not h GLN 4 CO 0.07 0.55 -0.01 0.35 -0.67 0.00 0.00 178.83 179.13 2not h PHE 5 N 0.22 -0.02 -0.93 2.96 3.57 -1.22 -0.84 116.94 120.69 2not h PHE 5 Ca 0.03 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.69 2not h PHE 5 Cb 0.69 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.35 2not h PHE 5 CO 0.01 0.27 0.59 1.03 -2.23 0.00 0.00 178.31 177.98 2not h SER 6 N -0.30 0.68 -0.32 0.41 0.87 -1.17 0.01 113.55 113.72 2not h SER 6 Ca -0.00 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 2not h SER 6 Cb 0.29 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2not h SER 6 CO 0.00 0.32 -0.28 1.88 -0.53 0.00 0.00 176.83 178.22 2not h TYR 7 N 0.70 0.97 0.00 2.24 0.05 -1.07 -2.52 116.97 117.33 2not h TYR 7 Ca 0.48 -0.25 -0.09 0.00 0.05 0.00 0.00 58.73 58.92 2not h TYR 7 Cb 0.79 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 2not h TYR 7 CO -0.00 1.02 -0.44 -0.07 -1.05 0.00 0.00 178.16 177.62 2not h LEU 8 N 0.71 0.00 -0.00 3.88 3.38 0.41 -2.42 115.31 121.26 2not h LEU 8 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2not h LEU 8 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2not h LEU 8 CO 0.07 0.44 -0.00 0.40 0.09 0.00 0.00 178.44 179.44 2not h ILE 9 N 0.00 1.28 0.00 1.22 2.04 -1.03 -2.11 117.51 118.90 2not h ILE 9 Ca -0.00 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 2not h ILE 9 Cb 0.78 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2not h ILE 9 CO 0.06 0.21 -0.21 1.56 0.00 0.00 0.00 178.15 179.77 2not h GLN 10 N -0.34 0.00 0.02 2.37 1.08 -1.33 -1.59 115.11 115.32 2not h GLN 10 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2not h GLN 10 Cb 0.35 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2not h GLN 10 CO 0.00 0.21 -0.61 0.00 -0.95 0.00 0.00 178.83 177.48 2not h ALA 12 N 0.28 1.23 0.00 0.00 0.00 -1.17 -3.13 119.26 116.47 2not h ALA 12 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2not h ALA 12 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2not h ALA 12 CO 0.12 0.56 -1.21 0.27 0.00 0.00 0.00 179.25 178.98 2not n ASN 13 N -4.02 0.59 -2.87 0.00 0.23 -0.62 -4.87 115.26 103.69 2not n ASN 13 Ca -0.02 -0.37 -0.15 0.00 -0.53 0.00 0.00 54.58 53.52 2not n ASN 13 Cb 0.46 1.08 0.07 0.00 -2.08 0.00 0.00 39.78 39.32 2not n ASN 13 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2not n HIS 14 N -1.90 -1.83 0.00 -2.53 8.25 0.05 -3.40 115.22 113.86 2not n HIS 14 Ca 0.01 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 2not n HIS 14 Cb 0.44 -4.31 0.00 0.00 1.12 0.00 0.00 29.99 27.24 2not n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2not n GLY 15 N -1.25 2.49 0.39 -1.41 0.00 -1.12 -4.89 105.19 99.40 2not n GLY 15 Ca -0.16 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.07 2not n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2not h ARG 16 N 0.61 0.00 -3.59 1.61 0.11 -1.89 -3.41 114.38 107.81 2not h ARG 16 Ca 0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 2not h ARG 16 Cb 0.00 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 30.75 2not h ARG 16 CO 0.00 0.00 -0.73 0.50 0.10 0.00 0.00 179.97 179.84 2not s ARG 17 N -4.82 0.01 0.53 0.08 3.52 -1.26 -5.16 118.95 111.85 2not s ARG 17 Ca -0.05 0.14 -0.21 0.00 -0.13 0.00 0.00 55.73 55.48 2not s ARG 17 Cb 0.18 -0.23 -0.06 0.00 -1.56 0.00 0.00 34.95 33.28 2not s ARG 17 CO 0.65 -0.13 1.11 -2.30 -0.81 0.00 0.00 175.30 173.82 2not n PRO 18 N 3.96 1.30 0.14 5.12 -0.02 -1.26 -4.88 135.00 139.35 2not n PRO 18 Ca -0.25 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 61.74 2not n PRO 18 Cb 0.52 -2.27 0.39 0.00 -0.02 0.00 0.00 33.50 32.12 2not n PRO 18 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2not h THR 19 N 1.11 1.19 -0.93 3.45 2.02 -1.98 -2.35 112.91 115.42 2not h THR 19 Ca -0.48 -0.87 0.19 0.00 0.77 0.00 0.00 66.41 66.02 2not h THR 19 Cb 1.34 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.98 2not h THR 19 CO 0.55 0.26 0.60 -0.09 0.37 0.00 0.00 175.52 177.21 2not h ARG 20 N 0.18 0.51 0.00 6.66 2.43 -2.01 -1.59 114.38 120.55 2not h ARG 20 Ca 0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2not h ARG 20 Cb 0.43 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2not h ARG 20 CO 0.03 0.34 -0.13 0.45 -1.51 0.00 0.00 179.97 179.14 2not h HIS 21 N 0.52 0.00 0.00 2.20 3.86 -1.80 -2.86 115.15 117.08 2not h HIS 21 Ca 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 2not h HIS 21 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2not h HIS 21 CO -0.00 0.13 -0.97 0.66 0.86 0.00 0.00 177.93 178.61 2not n TYR 22 N -3.71 0.35 0.89 2.45 4.01 -0.61 -4.36 117.16 116.18 2not n TYR 22 Ca -0.02 0.10 0.13 0.00 -0.16 0.00 0.00 57.90 57.96 2not n TYR 22 Cb 0.25 -0.51 0.44 0.00 -0.31 0.00 0.00 39.34 39.21 2not n TYR 22 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2not n MET 23 N -2.03 0.07 -3.23 -0.72 2.81 -1.08 -3.98 117.12 108.96 2not n MET 23 Ca 0.02 0.04 -0.24 0.00 -1.81 0.00 0.00 57.70 55.71 2not n MET 23 Cb 0.45 -1.57 -0.07 0.00 -0.71 0.00 0.00 33.22 31.32 2not n MET 23 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2not n ASP 24 N -1.69 1.09 -4.19 7.83 -0.08 -1.26 -3.25 116.55 115.00 2not n ASP 24 Ca 0.06 -2.91 -0.28 0.00 -1.51 0.00 0.00 54.79 50.16 2not n ASP 24 Cb 0.36 -0.64 -0.16 0.00 2.34 0.00 0.00 41.12 43.02 2not n ASP 24 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2not s TYR 25 N -1.65 1.92 0.00 -0.67 6.14 -1.23 -1.02 117.35 120.85 2not s TYR 25 Ca 0.37 -0.50 0.00 0.00 0.64 0.00 0.00 57.07 57.58 2not s TYR 25 Cb 0.19 -1.27 0.00 0.00 0.42 0.00 0.00 41.96 41.30 2not s TYR 25 CO -0.09 -0.14 0.00 0.41 0.64 0.00 0.00 175.55 176.38 2not n GLY 26 N 2.92 2.34 0.08 8.97 0.00 -0.17 -2.12 105.19 117.22 2not n GLY 26 Ca -0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 2not n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2not n TYR 28 N -2.75 0.00 -2.45 0.00 4.02 -1.25 -4.18 117.16 110.54 2not n TYR 28 Ca -0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.27 2not n TYR 28 Cb 0.97 -0.26 -0.03 0.00 -0.02 0.00 0.00 39.34 40.00 2not n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2not n GLY 30 N 3.32 0.88 2.82 0.00 0.00 -1.20 -3.47 105.19 107.54 2not n GLY 30 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2not n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2not n TRP 31 N -0.92 0.00 -2.84 1.61 8.01 -0.75 -5.01 117.44 117.54 2not n TRP 31 Ca 0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 2not n TRP 31 Cb 0.00 -0.85 -0.04 0.00 -2.01 0.00 0.00 31.31 28.41 2not n TRP 31 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2not s GLY 32 N -2.00 1.42 -0.08 6.99 0.00 -1.25 -5.00 107.32 107.40 2not s GLY 32 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 2not s GLY 32 CO 0.00 2.04 1.67 -0.32 0.00 0.00 0.00 173.10 176.49 2not s GLY 33 N 2.77 1.45 -0.28 0.20 0.00 -1.26 -4.27 107.32 105.93 2not s GLY 33 Ca 0.31 0.86 -0.22 0.00 0.00 0.00 0.00 44.72 45.67 2not s GLY 33 CO 0.20 3.06 0.80 -1.35 0.00 0.00 0.00 173.10 175.81 2not s SER 34 N 3.65 -0.72 0.50 1.64 1.04 -1.26 -5.09 113.70 113.46 2not s SER 34 Ca 0.74 1.29 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2not s SER 34 Cb -0.32 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2not s SER 34 CO 0.30 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2not n GLY 35 N 3.10 2.49 3.78 7.32 0.00 -0.87 -4.60 105.19 116.40 2not n GLY 35 Ca -0.16 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2not n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2not s THR 36 N 0.00 5.14 -0.15 2.61 2.01 -1.26 -5.01 115.64 118.98 2not s THR 36 Ca 0.00 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 2not s THR 36 Cb 0.00 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 2not s THR 36 CO 0.00 0.57 2.11 -2.65 -0.69 0.00 0.00 174.62 173.96 2not n PRO 37 N 2.43 2.15 0.24 4.92 -0.02 -1.26 -4.70 135.00 138.75 2not n PRO 37 Ca -0.19 0.69 0.15 0.00 -2.02 0.00 0.00 63.50 62.13 2not n PRO 37 Cb 0.54 -3.03 0.56 0.00 -0.02 0.00 0.00 33.50 31.55 2not n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2not h VAL 38 N 6.52 0.00 -4.04 -1.45 -1.51 -1.95 -3.46 116.25 110.36 2not h VAL 38 Ca -0.43 -0.54 -0.20 0.00 -1.23 0.00 0.00 66.70 64.30 2not h VAL 38 Cb 1.25 1.49 -0.09 0.00 -2.13 0.00 0.00 31.29 31.81 2not h VAL 38 CO 0.96 0.00 -0.23 -0.62 -1.23 0.00 0.00 177.57 176.45 2not s ASP 39 N -5.47 0.46 0.06 4.19 -1.08 -1.26 -5.01 116.67 108.55 2not s ASP 39 Ca 0.03 -1.28 -0.20 0.00 -0.52 0.00 0.00 52.55 50.58 2not s ASP 39 Cb 0.09 0.59 -0.11 0.00 -1.46 0.00 0.00 42.92 42.03 2not s ASP 39 CO 0.54 -1.17 1.45 -0.33 0.52 0.00 0.00 175.17 176.17 2not h GLU 40 N 2.24 0.37 -0.05 4.34 5.08 -1.91 -2.18 114.58 122.46 2not h GLU 40 Ca -0.29 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 2not h GLU 40 Cb 1.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2not h GLU 40 CO 0.40 0.64 -0.16 1.25 -1.00 0.00 0.00 179.01 180.13 2not h LEU 41 N 0.09 0.07 -0.51 1.33 5.85 -1.92 -2.11 115.31 118.11 2not h LEU 41 Ca 0.05 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 2not h LEU 41 Cb 0.50 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2not h LEU 41 CO 0.02 0.24 -0.74 -0.78 -0.34 0.00 0.00 178.44 176.85 2not h ASP 42 N 0.08 0.11 0.31 1.25 3.58 -1.87 -2.96 116.42 116.91 2not h ASP 42 Ca 0.02 -0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 2not h ASP 42 Cb 0.33 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2not h ASP 42 CO 0.02 0.81 -0.48 0.03 -2.88 0.00 0.00 179.24 176.74 2not h ARG 43 N 0.06 0.21 -0.68 0.28 3.08 -0.75 -2.36 114.38 114.22 2not h ARG 43 Ca -0.02 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 59.96 2not h ARG 43 Cb 1.30 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 2not h ARG 43 CO 0.10 0.65 0.45 0.00 -1.07 0.00 0.00 179.97 180.10 2not h LYS 46 N 0.00 -0.02 -0.98 0.00 3.64 -1.08 -1.88 116.57 116.25 2not h LYS 46 Ca -0.01 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2not h LYS 46 Cb 1.68 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.42 2not h LYS 46 CO 0.12 0.56 0.62 0.82 -2.27 0.00 0.00 179.45 179.30 2not h ILE 47 N -0.60 0.93 -0.41 2.00 2.04 -1.32 0.28 117.51 120.44 2not h ILE 47 Ca -0.00 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 2not h ILE 47 Cb 0.58 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2not h ILE 47 CO 0.00 0.18 -0.09 -0.74 0.00 0.00 0.00 178.15 177.50 2not h HIS 48 N 0.97 0.87 -0.36 1.37 2.76 -1.39 0.72 115.15 120.09 2not h HIS 48 Ca 0.48 -0.18 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 2not h HIS 48 Cb 0.48 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 2not h HIS 48 CO -0.00 0.90 -0.11 0.22 -1.30 0.00 0.00 177.93 177.63 2not h ASP 49 N 0.59 0.60 0.49 3.26 3.58 -0.63 -2.09 116.42 122.23 2not h ASP 49 Ca 0.10 -0.16 -0.15 0.00 0.42 0.00 0.00 57.03 57.24 2not h ASP 49 Cb 0.61 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2not h ASP 49 CO 0.04 0.75 -0.66 0.44 -2.88 0.00 0.00 179.24 176.93 2not h ASP 50 N 0.57 0.18 -0.14 2.28 3.32 -0.80 -3.06 116.42 118.77 2not h ASP 50 Ca 0.10 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2not h ASP 50 Cb 0.53 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2not h ASP 50 CO 0.03 0.78 -0.05 0.00 -1.72 0.00 0.00 179.24 178.29 2not h TYR 52 N -0.05 0.00 0.22 0.00 -1.99 -1.46 -2.14 116.97 111.55 2not h TYR 52 Ca 0.03 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.43 2not h TYR 52 Cb 0.49 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.24 2not h TYR 52 CO 0.06 0.00 -1.56 0.77 -0.00 0.00 0.00 178.16 177.42 2not h SER 53 N 0.00 0.73 -0.65 3.88 0.02 -1.31 -2.77 113.55 113.44 2not h SER 53 Ca 0.00 -0.87 -0.05 0.00 -0.84 0.00 0.00 61.79 60.03 2not h SER 53 Cb 0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2not h SER 53 CO 0.00 1.70 0.23 0.44 -1.14 0.00 0.00 176.83 178.07 2not h ASP 54 N 0.13 0.94 0.24 3.07 3.32 -1.25 -1.97 116.42 120.90 2not h ASP 54 Ca -0.28 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2not h ASP 54 Cb 2.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 41.42 2not h ASP 54 CO 0.24 0.87 -0.25 0.00 -1.72 0.00 0.00 179.24 178.37 2not h ALA 55 N 1.26 -0.51 0.00 3.45 0.00 -1.47 -1.86 119.26 120.13 2not h ALA 55 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2not h ALA 55 Cb 0.25 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2not h ALA 55 CO -0.01 -0.82 -0.08 0.93 0.00 0.00 0.00 179.25 179.26 2not h GLU 56 N -0.53 0.00 0.00 0.00 5.08 -1.18 -0.51 114.58 117.44 2not h GLU 56 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2not h GLU 56 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2not h GLU 56 CO -0.06 0.08 -0.01 0.87 -1.00 0.00 0.00 179.01 178.89 2not h LYS 57 N 0.00 0.00 -0.02 2.33 1.57 -0.94 -3.13 116.57 116.38 2not h LYS 57 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2not h LYS 57 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2not h LYS 57 CO 0.01 0.01 -0.15 1.63 -0.57 0.00 0.00 179.45 180.39 2not n LYS 59 N -3.10 1.49 -0.05 3.15 5.02 -0.44 -4.92 118.16 119.30 2not n LYS 59 Ca 0.03 -1.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 2not n LYS 59 Cb 0.47 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2not n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2not n GLY 60 N 1.30 0.61 3.58 0.72 0.00 -1.06 -5.06 105.19 105.28 2not n GLY 60 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2not n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2not s SER 67 N 1.98 6.76 0.36 0.00 0.15 -1.26 -2.70 113.70 118.98 2not s SER 67 Ca 0.33 0.81 0.06 0.00 0.70 0.00 0.00 55.95 57.85 2not s SER 67 Cb -0.12 -2.45 0.68 0.00 -1.71 0.00 0.00 66.02 62.42 2not s SER 67 CO 0.20 -0.68 1.92 -0.65 1.20 0.00 0.00 173.24 175.22 2not h PRO 68 N 8.06 0.47 0.53 5.44 0.11 -1.93 -0.64 132.00 144.04 2not h PRO 68 Ca -0.23 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 2not h PRO 68 Cb 1.08 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.12 2not h PRO 68 CO 0.93 0.48 -0.25 -0.22 -0.21 0.00 0.00 178.00 178.73 2not h LYS 69 N 0.46 -0.68 0.00 1.05 1.63 -1.96 -3.25 116.57 113.82 2not h LYS 69 Ca 0.10 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2not h LYS 69 Cb 0.27 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2not h LYS 69 CO 0.00 -0.38 0.00 -1.33 -3.45 0.00 0.00 179.45 174.29 2not n MET 70 N -5.27 0.96 -2.86 1.90 2.81 -1.12 -4.15 117.12 109.38 2not n MET 70 Ca -0.10 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.36 2not n MET 70 Cb 0.32 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.37 2not n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2not s SER 71 N -1.84 6.21 -0.52 7.83 0.01 -0.26 -4.91 113.70 120.22 2not s SER 71 Ca 0.38 -0.83 -0.19 0.00 1.31 0.00 0.00 55.95 56.62 2not s SER 71 Cb 0.18 -2.42 0.06 0.00 0.21 0.00 0.00 66.02 64.05 2not s SER 71 CO 0.30 -1.38 0.65 0.00 0.41 0.00 0.00 173.24 173.22 2not s ALA 72 N 4.01 3.38 0.13 1.44 0.00 -1.26 0.14 121.76 129.59 2not s ALA 72 Ca 0.24 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2not s ALA 72 Cb -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2not s ALA 72 CO 0.12 -2.06 0.00 2.48 0.00 0.00 0.00 175.76 176.30 2not n TYR 73 N 6.24 -3.05 -4.76 0.00 0.18 -1.26 -4.97 117.16 109.54 2not n TYR 73 Ca -0.06 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.44 2not n TYR 73 Cb 0.45 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.24 2not n TYR 73 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2not s ASP 74 N -1.00 2.33 0.26 9.48 2.15 -1.26 -5.04 116.67 123.58 2not s ASP 74 Ca 0.00 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 52.58 2not s ASP 74 Cb 0.00 -1.07 -0.03 0.00 -0.30 0.00 0.00 42.92 41.52 2not s ASP 74 CO 0.00 0.07 0.24 -0.72 -0.17 0.00 0.00 175.17 174.59 2not s TYR 75 N 0.63 1.28 -0.07 -5.34 1.13 -1.26 -1.59 117.35 112.13 2not s TYR 75 Ca -0.14 -1.41 -0.03 0.00 -1.41 0.00 0.00 57.07 54.07 2not s TYR 75 Cb -0.16 -0.50 0.04 0.00 -1.10 0.00 0.00 41.96 40.23 2not s TYR 75 CO 0.04 -0.79 0.15 -0.47 -2.51 0.00 0.00 175.55 171.97 2not s TYR 76 N -3.81 -0.16 -0.60 -3.49 5.04 -0.48 -4.90 117.35 108.95 2not s TYR 76 Ca 0.37 0.48 -0.19 0.00 -2.44 0.00 0.00 57.07 55.30 2not s TYR 76 Cb 0.04 -0.08 0.11 0.00 0.35 0.00 0.00 41.96 42.38 2not s TYR 76 CO 0.18 -0.16 0.70 0.00 -1.34 0.00 0.00 175.55 174.93 2not n GLY 78 N 5.27 -0.71 0.06 0.00 0.00 -1.09 -4.98 105.19 103.75 2not n GLY 78 Ca -0.09 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.30 2not n GLY 78 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2not n GLU 79 N -1.84 0.16 -0.02 1.61 0.28 -1.26 -3.11 120.64 116.46 2not n GLU 79 Ca 0.05 0.14 0.10 0.00 -0.16 0.00 0.00 57.16 57.29 2not n GLU 79 Cb 0.19 -1.68 0.09 0.00 1.43 0.00 0.00 31.44 31.47 2not n GLU 79 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2not n ASN 80 N -1.96 2.70 0.00 -1.84 4.13 -1.26 -5.08 115.26 111.95 2not n ASN 80 Ca 0.06 -1.83 0.00 0.00 1.68 0.00 0.00 54.58 54.49 2not n ASN 80 Cb 0.39 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 2not n ASN 80 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2not n GLY 81 N 1.12 0.75 3.82 7.41 0.00 -1.18 -4.94 105.19 112.18 2not n GLY 81 Ca 0.12 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 2not n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2not s PRO 82 N -0.81 3.63 -0.08 1.61 0.04 -1.26 -2.67 135.00 135.45 2not s PRO 82 Ca 0.00 1.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 2not s PRO 82 Cb 0.00 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2not s PRO 82 CO 0.00 -0.54 0.36 1.52 0.04 0.00 0.00 177.00 178.37 2not s TYR 83 N -2.55 -0.32 0.18 0.56 -0.85 -0.80 -4.95 117.35 108.61 2not s TYR 83 Ca 0.61 0.69 -0.20 0.00 -0.52 0.00 0.00 57.07 57.65 2not s TYR 83 Cb -0.13 0.13 -0.08 0.00 0.38 0.00 0.00 41.96 42.26 2not s TYR 83 CO 0.35 -0.29 0.69 0.00 -1.52 0.00 0.00 175.55 174.77 2not n ARG 85 N 1.08 1.84 -2.83 0.00 1.74 -0.62 -4.95 116.66 112.91 2not n ARG 85 Ca -0.05 -0.67 -0.37 0.00 -0.77 0.00 0.00 57.85 55.99 2not n ARG 85 Cb 0.51 -1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 30.80 2not n ARG 85 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2not s ASN 86 N -1.24 7.31 0.09 0.55 -0.87 -1.26 -4.93 114.94 114.61 2not s ASN 86 Ca 0.08 1.78 0.00 0.00 -1.57 0.00 0.00 52.86 53.15 2not s ASN 86 Cb 0.08 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 2not s ASN 86 CO 0.22 -0.04 0.00 -0.38 -2.57 0.00 0.00 177.10 174.34 2not n ILE 87 N 0.65 0.23 -0.02 0.60 2.08 -1.26 -4.82 119.36 116.83 2not n ILE 87 Ca 0.01 0.08 -0.10 0.00 0.56 0.00 0.00 62.75 63.29 2not n ILE 87 Cb 0.50 -0.96 -0.09 0.00 -0.75 0.00 0.00 39.64 38.34 2not n ILE 87 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2not h LYS 88 N 0.00 -0.07 -5.52 0.38 1.57 -2.05 -3.40 116.57 107.48 2not h LYS 88 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2not h LYS 88 Cb 0.26 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2not h LYS 88 CO 0.00 0.52 0.99 0.15 -0.57 0.00 0.00 179.45 180.54 2not s LYS 89 N -2.71 2.50 0.34 3.15 -0.14 -1.26 -4.84 119.74 116.78 2not s LYS 89 Ca -0.13 -0.97 0.05 0.00 -1.36 0.00 0.00 55.97 53.56 2not s LYS 89 Cb -0.01 -5.20 0.70 0.00 -1.68 0.00 0.00 37.83 31.64 2not s LYS 89 CO 0.50 -3.86 1.92 0.87 -0.76 0.00 0.00 175.35 174.02 2not h LYS 90 N 10.08 0.79 -0.06 1.68 1.57 -1.97 -2.42 116.57 126.25 2not h LYS 90 Ca 0.19 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 2not h LYS 90 Cb 0.95 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2not h LYS 90 CO 1.22 0.52 -0.63 0.00 -0.57 0.00 0.00 179.45 179.99 2not h LEU 92 N 0.16 0.92 -0.40 0.00 3.38 -1.85 -2.23 115.31 115.28 2not h LEU 92 Ca -0.01 -0.36 -0.17 0.00 0.09 0.00 0.00 57.88 57.43 2not h LEU 92 Cb 1.15 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2not h LEU 92 CO 0.10 1.12 -0.56 -0.09 0.09 0.00 0.00 178.44 179.10 2not h ARG 93 N 0.76 0.71 0.43 1.13 9.65 -1.43 -1.55 114.38 124.10 2not h ARG 93 Ca 0.09 -0.46 -0.02 0.00 -1.10 0.00 0.00 59.98 58.50 2not h ARG 93 Cb 0.81 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 2not h ARG 93 CO 0.07 1.08 -0.21 0.35 2.80 0.00 0.00 179.97 184.06 2not h PHE 94 N 0.55 -0.54 -0.18 2.20 3.04 -1.26 -1.76 116.94 118.99 2not h PHE 94 Ca 0.01 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2not h PHE 94 Cb 1.13 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 2not h PHE 94 CO 0.06 -0.29 0.03 0.28 -2.02 0.00 0.00 178.31 176.37 2not h VAL 95 N -0.66 1.10 -0.64 1.41 2.07 -1.46 -1.55 116.25 116.52 2not h VAL 95 Ca -0.06 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 2not h VAL 95 Cb 0.49 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2not h VAL 95 CO 0.10 0.12 0.18 0.00 0.02 0.00 0.00 177.57 177.99 2not h ASP 97 N 0.94 0.24 -0.16 0.00 3.32 -0.39 0.87 116.42 121.25 2not h ASP 97 Ca 0.21 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2not h ASP 97 Cb 0.30 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2not h ASP 97 CO -0.01 0.60 0.01 0.00 -1.72 0.00 0.00 179.24 178.13 2not h ASP 99 N 0.03 0.56 -0.17 0.00 3.32 -1.34 -2.72 116.42 116.10 2not h ASP 99 Ca 0.05 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 2not h ASP 99 Cb 0.35 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2not h ASP 99 CO 0.01 0.97 -0.27 0.58 -1.72 0.00 0.00 179.24 178.80 2not h VAL 100 N 0.41 1.35 0.00 -1.35 2.07 -0.85 -1.80 116.25 116.07 2not h VAL 100 Ca 0.02 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 65.95 2not h VAL 100 Cb 1.02 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2not h VAL 100 CO 0.09 0.45 -0.42 -0.33 0.02 0.00 0.00 177.57 177.38 2not h GLU 101 N 0.14 0.00 -0.04 1.57 5.08 -1.43 -2.39 114.58 117.50 2not h GLU 101 Ca 0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 2not h GLU 101 Cb 0.85 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 2not h GLU 101 CO 0.06 0.42 -0.95 0.00 -1.00 0.00 0.00 179.01 177.55 2not h ALA 102 N 1.58 0.24 -0.36 3.43 0.00 -1.50 -2.17 119.26 120.48 2not h ALA 102 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 54.25 2not h ALA 102 Cb 0.81 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2not h ALA 102 CO 0.06 0.72 0.20 0.00 0.00 0.00 0.00 179.25 180.22 2not h ALA 103 N 0.53 0.44 -0.31 0.00 0.00 -1.05 -0.59 119.26 118.28 2not h ALA 103 Ca -0.10 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2not h ALA 103 Cb 1.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2not h ALA 103 CO 0.18 -0.15 -0.32 0.74 0.00 0.00 0.00 179.25 179.70 2not h PHE 104 N 0.41 0.77 -0.04 0.00 0.04 -1.49 -2.95 116.94 113.68 2not h PHE 104 Ca 0.14 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2not h PHE 104 Cb 0.02 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 2not h PHE 104 CO -0.08 0.90 0.01 0.00 -0.60 0.00 0.00 178.31 178.54 2not h PHE 106 N 0.03 0.71 0.07 0.00 -1.00 -1.04 -0.29 116.94 115.43 2not h PHE 106 Ca 0.02 0.02 -0.26 0.00 2.81 0.00 0.00 57.97 60.55 2not h PHE 106 Cb 0.01 -0.23 0.02 0.00 3.61 0.00 0.00 35.95 39.36 2not h PHE 106 CO -0.09 0.34 -1.08 0.00 -1.61 0.00 0.00 178.31 175.87 2not h ALA 107 N 1.62 0.03 0.00 2.45 0.00 -1.34 -3.29 119.26 118.73 2not h ALA 107 Ca 0.35 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2not h ALA 107 Cb 0.47 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2not h ALA 107 CO -0.13 0.62 -0.12 0.87 0.00 0.00 0.00 179.25 180.49 2not h LYS 108 N 0.21 0.00 -6.69 0.00 1.57 -1.11 -3.45 116.57 107.10 2not h LYS 108 Ca -0.16 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.12 2not h LYS 108 Cb 1.76 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.05 2not h LYS 108 CO 0.21 0.08 0.36 0.00 -0.57 0.00 0.00 179.45 179.53 2not s ALA 109 N -3.17 3.31 0.33 3.86 0.00 -0.14 -5.04 121.76 120.91 2not s ALA 109 Ca 0.06 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 2not s ALA 109 Cb 0.06 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 2not s ALA 109 CO 0.69 0.12 1.39 -1.25 0.00 0.00 0.00 175.76 176.70 2not s PRO 110 N -0.77 4.26 -0.39 0.00 0.04 -1.26 -4.93 135.00 131.95 2not s PRO 110 Ca 0.43 2.35 -0.11 0.00 0.04 0.00 0.00 61.00 63.71 2not s PRO 110 Cb -0.25 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.29 2not s PRO 110 CO 0.31 -0.34 0.24 -0.47 0.04 0.00 0.00 177.00 176.78 2not s TYR 111 N -0.96 3.26 -0.32 0.56 6.14 -1.26 -4.48 117.35 120.30 2not s TYR 111 Ca 0.52 -1.07 -0.29 0.00 0.64 0.00 0.00 57.07 56.86 2not s TYR 111 Cb -0.42 -2.60 0.02 0.00 0.42 0.00 0.00 41.96 39.37 2not s TYR 111 CO 0.55 -0.70 1.11 -0.80 0.64 0.00 0.00 175.55 176.34 2not s ASN 112 N 1.75 6.89 0.53 4.32 0.01 -1.26 -4.90 114.94 122.27 2not s ASN 112 Ca 0.02 1.06 0.30 0.00 -0.71 0.00 0.00 52.86 53.53 2not s ASN 112 Cb -0.20 -2.54 1.42 0.00 0.41 0.00 0.00 41.25 40.33 2not s ASN 112 CO 0.06 -0.92 2.03 0.78 -1.51 0.00 0.00 177.10 177.54 2not h ASN 113 N 8.27 0.00 1.03 -1.22 2.35 -1.97 -2.06 115.58 121.99 2not h ASN 113 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2not h ASN 113 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2not h ASN 113 CO 1.04 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 176.92 2not h ALA 114 N 1.89 1.00 -0.13 -0.83 0.00 -2.03 -3.05 119.26 116.11 2not h ALA 114 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2not h ALA 114 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2not h ALA 114 CO 0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.35 2not n ASN 115 N -2.51 3.05 -4.71 0.00 3.02 -0.78 -4.87 115.26 108.46 2not n ASN 115 Ca 0.03 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 2not n ASN 115 Cb 0.31 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 2not n ASN 115 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2not s TRP 116 N -1.78 3.65 -1.14 3.10 -0.00 -1.16 -1.00 118.94 120.62 2not s TRP 116 Ca 0.30 1.68 -0.01 0.00 -0.00 0.00 0.00 56.10 58.07 2not s TRP 116 Cb 0.20 -3.13 -0.02 0.00 -0.00 0.00 0.00 33.47 30.52 2not s TRP 116 CO 0.29 -0.07 0.96 -1.71 -0.00 0.00 0.00 176.95 176.42 2not n ASN 117 N 3.87 -3.06 -4.89 5.86 2.85 -0.19 -4.93 115.26 114.78 2not n ASN 117 Ca 0.06 -0.62 -0.29 0.00 -0.11 0.00 0.00 54.58 53.61 2not n ASN 117 Cb 0.51 -5.03 -0.00 0.00 1.24 0.00 0.00 39.78 36.49 2not n ASN 117 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2not s ILE 118 N -3.36 4.81 -0.66 -1.44 -4.36 -1.26 -4.96 121.20 109.96 2not s ILE 118 Ca 0.10 0.54 -0.27 0.00 -0.26 0.00 0.00 60.65 60.76 2not s ILE 118 Cb -0.01 -3.85 -0.00 0.00 1.25 0.00 0.00 42.46 39.85 2not s ILE 118 CO 0.71 -0.92 1.65 -0.62 0.24 0.00 0.00 174.94 176.00 2not s ASP 119 N -3.99 5.60 0.34 4.36 -1.08 -1.26 -4.82 116.67 115.82 2not s ASP 119 Ca 0.51 0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.83 2not s ASP 119 Cb -0.11 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.86 2not s ASP 119 CO 0.46 -2.18 1.79 0.71 0.52 0.00 0.00 175.17 176.47 2not h THR 120 N 6.57 0.00 -0.10 1.71 1.35 -1.93 0.11 112.91 120.63 2not h THR 120 Ca -0.26 -0.36 -0.15 0.00 -0.55 0.00 0.00 66.41 65.09 2not h THR 120 Cb 1.12 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 2not h THR 120 CO 1.24 0.00 -0.58 0.11 -0.25 0.00 0.00 175.52 176.05 2not h LYS 121 N 0.00 0.32 0.00 4.72 6.56 -1.91 -2.07 116.57 124.19 2not h LYS 121 Ca 0.00 -0.21 -0.37 0.00 -1.06 0.00 0.00 60.65 59.01 2not h LYS 121 Cb 0.47 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.10 2not h LYS 121 CO 0.00 0.80 -2.05 1.63 -2.06 0.00 0.00 179.45 177.77 2not n LYS 122 N -3.91 0.59 0.15 3.15 4.01 -1.00 -4.57 118.16 116.58 2not n LYS 122 Ca -0.03 0.38 0.03 0.00 -0.51 0.00 0.00 58.31 58.19 2not n LYS 122 Cb 0.60 -1.59 0.08 0.00 -0.51 0.00 0.00 35.03 33.61 2not n LYS 122 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2not h ARG 123 N -0.95 0.00 -0.98 1.97 2.47 -0.93 -3.36 114.38 112.61 2not h ARG 123 Ca -0.56 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.55 2not h ARG 123 Cb 1.52 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 29.46 2not h ARG 123 CO -0.33 0.48 -0.15 0.00 0.56 0.00 0.00 179.97 180.54