#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 0.71 -4.53 5.85 -1.85 -2.84 115.31 112.64 2not h LEU 2 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2not h LEU 2 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 2not h LEU 2 CO 0.00 0.00 -0.34 0.58 -0.34 0.00 0.00 178.44 178.34 2not h VAL 3 N 0.00 0.00 0.00 1.05 2.07 -2.00 -2.44 116.25 114.93 2not h VAL 3 Ca 0.13 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2not h VAL 3 Cb 0.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2not h VAL 3 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2not n GLN 4 N -4.77 0.07 -0.05 1.57 10.64 -1.15 -2.09 117.38 121.59 2not n GLN 4 Ca -0.12 0.20 -0.12 0.00 -1.83 0.00 0.00 57.00 55.12 2not n GLN 4 Cb 0.37 -1.60 -0.07 0.00 -0.86 0.00 0.00 30.24 28.08 2not n GLN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 2not h PHE 5 N 0.00 0.37 -0.52 2.61 3.57 -1.46 -2.07 116.94 119.44 2not h PHE 5 Ca 0.00 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.47 2not h PHE 5 Cb 0.41 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2not h PHE 5 CO 0.00 0.65 0.35 0.77 -2.23 0.00 0.00 178.31 177.85 2not h SER 6 N -0.01 0.39 -0.25 0.41 0.02 -0.91 -0.05 113.55 113.15 2not h SER 6 Ca 0.03 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 2not h SER 6 Cb 0.56 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2not h SER 6 CO 0.02 0.26 -0.22 1.88 -1.14 0.00 0.00 176.83 177.63 2not h TYR 7 N 0.45 0.70 -0.18 3.45 -1.99 -1.44 -1.88 116.97 116.07 2not h TYR 7 Ca 0.23 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2not h TYR 7 Cb 0.33 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 2not h TYR 7 CO -0.00 0.90 0.02 -0.07 -0.00 0.00 0.00 178.16 179.00 2not h LEU 8 N 0.30 0.23 0.11 3.88 3.38 -0.39 -0.44 115.31 122.38 2not h LEU 8 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2not h LEU 8 Cb 0.76 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2not h LEU 8 CO 0.06 0.27 -0.05 0.40 0.09 0.00 0.00 178.44 179.20 2not h ILE 9 N 0.26 1.10 0.00 1.22 2.04 -0.93 -2.15 117.51 119.04 2not h ILE 9 Ca 0.06 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 2not h ILE 9 Cb 0.15 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2not h ILE 9 CO 0.00 0.21 -0.38 1.56 0.00 0.00 0.00 178.15 179.54 2not h GLN 10 N -0.56 0.00 -0.34 2.37 1.08 -1.16 -1.28 115.11 115.23 2not h GLN 10 Ca -0.01 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 2not h GLN 10 Cb 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2not h GLN 10 CO 0.02 0.38 0.02 0.00 -0.95 0.00 0.00 178.83 178.30 2not h ALA 12 N 0.87 0.46 -0.42 0.00 0.00 -1.17 -3.21 119.26 115.79 2not h ALA 12 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2not h ALA 12 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2not h ALA 12 CO 0.01 0.75 0.00 0.27 0.00 0.00 0.00 179.25 180.28 2not n ASN 13 N -3.85 2.75 -3.69 0.00 0.23 -0.50 -4.92 115.26 105.28 2not n ASN 13 Ca -0.06 -1.93 -0.28 0.00 -0.53 0.00 0.00 54.58 51.78 2not n ASN 13 Cb 0.75 -0.27 0.01 0.00 -2.08 0.00 0.00 39.78 38.18 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 1.01 -2.04 -3.60 -2.53 8.25 -0.60 -1.68 115.22 114.04 2not n HIS 14 Ca 0.18 0.71 -0.22 0.00 -0.26 0.00 0.00 57.72 58.13 2not n HIS 14 Cb 0.46 -3.56 0.05 0.00 1.12 0.00 0.00 29.99 28.06 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 -1.47 -0.61 0.08 -1.41 0.00 -0.30 -4.94 105.19 96.55 2not n GLY 15 Ca 0.02 0.28 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 2not n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2not n ARG 16 N -4.05 0.81 -3.96 1.61 1.74 -0.68 -4.95 116.66 107.18 2not n ARG 16 Ca -0.21 -0.05 -0.16 0.00 -0.77 0.00 0.00 57.85 56.66 2not n ARG 16 Cb 0.65 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.44 2not n ARG 16 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2not s ARG 17 N -2.66 0.30 0.63 5.56 3.52 -1.26 -5.15 118.95 119.88 2not s ARG 17 Ca -0.09 0.02 -0.19 0.00 -0.13 0.00 0.00 55.73 55.34 2not s ARG 17 Cb 0.07 -0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.02 2not s ARG 17 CO 0.80 -0.08 1.30 -2.30 -0.81 0.00 0.00 175.30 174.21 2not n PRO 18 N 3.84 1.24 -0.03 5.12 -0.02 -1.26 -4.88 135.00 139.01 2not n PRO 18 Ca -0.23 0.48 0.01 0.00 -2.02 0.00 0.00 63.50 61.73 2not n PRO 18 Cb 0.52 -2.54 0.32 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.73 1.17 0.00 3.45 2.02 -1.98 -2.64 112.91 115.66 2not h THR 19 Ca -0.51 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 2not h THR 19 Cb 1.33 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2not h THR 19 CO 0.54 0.22 -0.04 -0.09 0.37 0.00 0.00 175.52 176.52 2not h ARG 20 N 0.59 0.00 -0.00 6.66 2.43 -2.01 -1.22 114.38 120.83 2not h ARG 20 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2not h ARG 20 Cb 0.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2not h ARG 20 CO -0.01 0.04 0.07 0.45 -1.51 0.00 0.00 179.97 179.01 2not h HIS 21 N 0.00 0.00 -0.01 2.20 3.86 -1.85 -2.09 115.15 117.25 2not h HIS 21 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2not h HIS 21 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2not h HIS 21 CO 0.00 0.00 -0.33 0.66 0.86 0.00 0.00 177.93 179.12 2not n TYR 22 N -3.08 0.00 1.15 2.45 4.01 -0.46 -4.59 117.16 116.64 2not n TYR 22 Ca -0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 2not n TYR 22 Cb 0.14 0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.53 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 0.01 0.44 -3.06 -0.72 2.81 -0.79 -3.86 117.12 111.96 2not n MET 23 Ca 0.08 -0.24 -0.17 0.00 -1.81 0.00 0.00 57.70 55.56 2not n MET 23 Cb 0.37 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.07 -0.29 -4.06 7.83 2.03 -1.17 -4.13 116.55 115.68 2not n ASP 24 Ca 0.09 -3.11 -0.17 0.00 0.52 0.00 0.00 54.79 52.12 2not n ASP 24 Cb 0.34 0.11 -0.13 0.00 -0.72 0.00 0.00 41.12 40.72 2not n ASP 24 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2not s TYR 25 N -1.33 0.85 0.00 -0.67 6.14 -0.99 -0.97 117.35 120.37 2not s TYR 25 Ca 0.35 -0.28 0.00 0.00 0.64 0.00 0.00 57.07 57.78 2not s TYR 25 Cb 0.29 -0.52 0.00 0.00 0.42 0.00 0.00 41.96 42.15 2not s TYR 25 CO -0.10 -0.01 0.00 0.41 0.64 0.00 0.00 175.55 176.49 2not n GLY 26 N 2.28 0.73 0.22 8.97 0.00 0.40 -1.20 105.19 116.59 2not n GLY 26 Ca -0.17 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.95 0.00 -2.53 0.00 4.02 -1.24 -3.90 117.16 110.57 2not n TYR 28 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 2not n TYR 28 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.72 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 5.09 0.54 2.63 0.00 0.00 -1.25 -2.34 105.19 109.85 2not n GLY 30 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2not n GLY 30 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2not n TRP 31 N -0.06 -4.36 -0.09 1.61 -0.00 -1.02 -4.95 117.44 108.58 2not n TRP 31 Ca 0.00 2.50 -0.12 0.00 -0.00 0.00 0.00 57.50 59.89 2not n TRP 31 Cb 0.03 -3.85 -0.04 0.00 -0.00 0.00 0.00 31.31 27.45 2not n TRP 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2not n GLY 32 N 1.70 -0.51 3.54 5.87 0.00 -0.92 -4.85 105.19 110.02 2not n GLY 32 Ca -0.39 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 2not n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2not n GLY 33 N 1.48 -0.51 3.63 -0.02 0.00 -1.26 -4.92 105.19 103.59 2not n GLY 33 Ca -0.19 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 2not n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2not s SER 34 N -3.34 -0.33 0.07 1.61 0.15 -1.26 -5.15 113.70 105.44 2not s SER 34 Ca 0.56 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2not s SER 34 Cb -0.25 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2not s SER 34 CO 0.71 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.60 2not n GLY 35 N 1.66 -2.08 3.71 9.45 0.00 -1.26 -4.68 105.19 112.00 2not n GLY 35 Ca -0.11 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.30 5.13 0.14 2.61 2.01 -1.26 -4.94 115.64 119.03 2not s THR 36 Ca 0.00 1.13 -0.32 0.00 0.31 0.00 0.00 61.69 62.80 2not s THR 36 Cb 0.00 -3.90 -0.12 0.00 0.01 0.00 0.00 72.50 68.49 2not s THR 36 CO 0.00 0.28 1.74 -2.65 -0.69 0.00 0.00 174.62 173.30 2not n PRO 37 N 3.82 2.55 0.18 4.92 -0.02 -1.26 -4.81 135.00 140.38 2not n PRO 37 Ca -0.05 0.92 0.13 0.00 -2.02 0.00 0.00 63.50 62.49 2not n PRO 37 Cb 0.51 -2.77 0.32 0.00 -0.02 0.00 0.00 33.50 31.54 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 4.20 0.00 -4.04 -1.45 -1.51 -1.96 -3.47 116.25 108.01 2not h VAL 38 Ca -0.45 -0.73 -0.15 0.00 -1.23 0.00 0.00 66.70 64.13 2not h VAL 38 Cb 1.23 1.72 -0.11 0.00 -2.13 0.00 0.00 31.29 32.00 2not h VAL 38 CO 0.93 0.00 -0.30 -0.62 -1.23 0.00 0.00 177.57 176.36 2not s ASP 39 N -5.48 0.16 0.05 4.19 -1.08 -1.26 -4.98 116.67 108.27 2not s ASP 39 Ca 0.08 -1.17 -0.22 0.00 -0.52 0.00 0.00 52.55 50.71 2not s ASP 39 Cb 0.08 0.53 -0.14 0.00 -1.46 0.00 0.00 42.92 41.93 2not s ASP 39 CO 0.62 -1.06 1.52 -0.08 0.52 0.00 0.00 175.17 176.68 2not h GLU 40 N 2.35 0.16 -0.45 4.34 4.81 -1.92 -1.20 114.58 122.67 2not h GLU 40 Ca -0.30 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2not h GLU 40 Cb 1.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2not h GLU 40 CO 0.42 0.37 0.25 1.25 -0.73 0.00 0.00 179.01 180.57 2not h LEU 41 N -0.08 0.53 -0.79 1.64 5.85 -1.90 -1.65 115.31 118.91 2not h LEU 41 Ca 0.03 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2not h LEU 41 Cb 0.28 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2not h LEU 41 CO 0.00 0.42 -0.56 -0.78 -0.34 0.00 0.00 178.44 177.19 2not h ASP 42 N 0.61 0.00 0.61 1.25 3.58 -1.87 -2.61 116.42 117.98 2not h ASP 42 Ca 0.16 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 2not h ASP 42 Cb -0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2not h ASP 42 CO -0.03 0.56 -0.56 0.03 -2.88 0.00 0.00 179.24 176.36 2not h ARG 43 N 0.00 0.00 -0.37 0.28 3.08 -0.33 -2.12 114.38 114.92 2not h ARG 43 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2not h ARG 43 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2not h ARG 43 CO 0.07 0.56 0.22 0.00 -1.07 0.00 0.00 179.97 179.75 2not h LYS 46 N 0.00 -0.07 -0.87 0.00 3.64 -1.20 -1.63 116.57 116.44 2not h LYS 46 Ca -0.01 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2not h LYS 46 Cb 0.94 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.71 2not h LYS 46 CO 0.07 0.28 0.53 0.82 -2.27 0.00 0.00 179.45 178.88 2not h ILE 47 N -0.44 1.00 -0.51 2.00 2.04 -1.23 -0.01 117.51 120.37 2not h ILE 47 Ca -0.01 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 2not h ILE 47 Cb 0.39 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2not h ILE 47 CO 0.01 0.17 -0.11 -0.74 0.00 0.00 0.00 178.15 177.48 2not h HIS 48 N 0.93 1.04 -0.40 1.37 2.76 -1.16 0.11 115.15 119.82 2not h HIS 48 Ca 0.39 -0.21 -0.13 0.00 -2.20 0.00 0.00 60.37 58.23 2not h HIS 48 Cb 0.25 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2not h HIS 48 CO -0.04 0.99 -0.26 0.22 -1.30 0.00 0.00 177.93 177.54 2not h ASP 49 N 0.84 0.86 0.69 3.26 3.58 -0.43 -2.09 116.42 123.12 2not h ASP 49 Ca 0.13 -0.33 -0.12 0.00 0.42 0.00 0.00 57.03 57.13 2not h ASP 49 Cb 0.65 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2not h ASP 49 CO 0.04 1.07 -0.57 0.44 -2.88 0.00 0.00 179.24 177.35 2not h ASP 50 N 0.71 0.00 -0.49 2.28 3.32 -0.86 -2.65 116.42 118.74 2not h ASP 50 Ca 0.09 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2not h ASP 50 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2not h ASP 50 CO 0.07 0.57 -0.01 0.00 -1.72 0.00 0.00 179.24 178.14 2not h TYR 52 N 0.73 0.00 -0.26 0.00 -1.99 -1.33 -2.58 116.97 111.53 2not h TYR 52 Ca 0.14 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.77 2not h TYR 52 Cb 0.53 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 2not h TYR 52 CO 0.04 0.29 -0.25 0.77 -0.00 0.00 0.00 178.16 179.01 2not h SER 53 N 0.00 0.51 0.38 3.88 0.02 -1.02 -2.06 113.55 115.27 2not h SER 53 Ca -0.00 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.65 2not h SER 53 Cb 0.54 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2not h SER 53 CO 0.04 0.76 -0.52 0.44 -1.14 0.00 0.00 176.83 176.41 2not h ASP 54 N 0.45 0.17 -0.34 3.07 3.32 -1.04 -2.12 116.42 119.93 2not h ASP 54 Ca 0.07 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2not h ASP 54 Cb 0.68 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2not h ASP 54 CO 0.05 0.66 -0.22 0.00 -1.72 0.00 0.00 179.24 178.01 2not h ALA 55 N 1.34 0.49 -0.19 3.45 0.00 -1.40 -2.97 119.26 119.98 2not h ALA 55 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2not h ALA 55 Cb 0.96 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2not h ALA 55 CO 0.08 0.46 -0.20 0.93 0.00 0.00 0.00 179.25 180.52 2not h GLU 56 N 0.54 0.34 0.00 0.00 5.08 -1.12 0.25 114.58 119.67 2not h GLU 56 Ca 0.07 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2not h GLU 56 Cb 0.78 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2not h GLU 56 CO 0.06 0.54 0.00 1.63 -1.00 0.00 0.00 179.01 180.24 2not n LYS 57 N -4.18 0.10 -0.07 2.33 5.02 -0.82 -2.87 118.16 117.66 2not n LYS 57 Ca -0.00 0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 2not n LYS 57 Cb 0.35 -1.65 0.11 0.00 -0.02 0.00 0.00 35.03 33.82 2not n LYS 57 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2not n LYS 59 N -1.83 1.75 -0.05 1.97 5.02 -0.63 -4.99 118.16 119.40 2not n LYS 59 Ca 0.04 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 2not n LYS 59 Cb 0.28 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.97 0.44 3.66 0.72 0.00 -0.89 -5.07 105.19 105.02 2not n GLY 60 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 1.25 6.52 0.50 0.00 0.15 -1.26 -3.33 113.70 117.52 2not s SER 67 Ca 0.33 0.17 0.33 0.00 0.70 0.00 0.00 55.95 57.49 2not s SER 67 Cb -0.16 -2.44 1.52 0.00 -1.71 0.00 0.00 66.02 63.24 2not s SER 67 CO 0.10 -0.97 1.99 -0.65 1.20 0.00 0.00 173.24 174.91 2not h PRO 68 N 8.92 0.00 0.04 5.44 0.11 -1.94 -1.20 132.00 143.37 2not h PRO 68 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2not h PRO 68 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2not h PRO 68 CO 1.00 0.00 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.55 2not h LYS 69 N 0.00 -0.05 0.00 1.05 3.64 -1.96 -3.06 116.57 116.19 2not h LYS 69 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2not h LYS 69 Cb 0.31 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2not h LYS 69 CO 0.00 0.56 -0.32 -1.33 -2.27 0.00 0.00 179.45 176.09 2not n MET 70 N -4.74 0.01 -2.02 1.90 2.81 -1.15 -2.89 117.12 111.05 2not n MET 70 Ca -0.07 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.41 2not n MET 70 Cb 0.31 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 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 -3.06 5.66 -0.47 7.83 0.01 -0.47 -4.80 113.70 118.41 2not s SER 71 Ca 0.12 0.95 -0.17 0.00 1.31 0.00 0.00 55.95 58.17 2not s SER 71 Cb 0.18 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.94 2not s SER 71 CO 0.64 -1.96 0.45 0.00 0.41 0.00 0.00 173.24 172.79 2not s ALA 72 N 7.72 3.49 0.57 1.44 0.00 -1.26 -2.09 121.76 131.63 2not s ALA 72 Ca 0.75 -1.91 0.08 0.00 0.00 0.00 0.00 51.96 50.88 2not s ALA 72 Cb -0.18 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.88 2not s ALA 72 CO 0.29 -1.76 0.67 1.52 0.00 0.00 0.00 175.76 176.48 2not s TYR 73 N 1.96 1.42 -0.17 0.00 -0.85 -1.26 -5.00 117.35 113.45 2not s TYR 73 Ca 0.08 -0.78 -0.05 0.00 -0.52 0.00 0.00 57.07 55.80 2not s TYR 73 Cb -0.22 -2.10 -0.03 0.00 0.38 0.00 0.00 41.96 39.99 2not s TYR 73 CO 0.09 -0.96 0.00 0.34 -1.52 0.00 0.00 175.55 173.50 2not s ASP 74 N -4.55 5.04 0.07 -0.18 -1.08 -1.26 -5.09 116.67 109.62 2not s ASP 74 Ca 0.53 -0.09 -0.14 0.00 -0.52 0.00 0.00 52.55 52.33 2not s ASP 74 Cb -0.04 -1.84 0.02 0.00 -1.46 0.00 0.00 42.92 39.59 2not s ASP 74 CO 0.33 0.14 0.32 -0.72 0.52 0.00 0.00 175.17 175.77 2not s TYR 75 N 0.53 -0.11 -0.04 -5.34 1.13 -1.26 -1.96 117.35 110.31 2not s TYR 75 Ca -0.01 -0.12 0.01 0.00 -1.41 0.00 0.00 57.07 55.54 2not s TYR 75 Cb -0.14 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 2not s TYR 75 CO 0.02 -0.57 -0.04 1.52 -2.51 0.00 0.00 175.55 173.97 2not s TYR 76 N -3.13 0.68 -0.67 -3.49 1.13 -0.83 -4.98 117.35 106.06 2not s TYR 76 Ca -0.01 -0.17 -0.27 0.00 -1.41 0.00 0.00 57.07 55.21 2not s TYR 76 Cb 0.01 -0.61 0.03 0.00 -1.10 0.00 0.00 41.96 40.30 2not s TYR 76 CO -0.07 -0.17 1.24 0.00 -2.51 0.00 0.00 175.55 174.04 2not n GLY 78 N 5.25 -0.66 0.18 0.00 0.00 -0.62 -4.94 105.19 104.40 2not n GLY 78 Ca 0.05 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.30 2not n GLY 78 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2not h GLU 79 N 0.00 0.00 0.00 1.61 5.08 -1.96 -2.96 114.58 116.35 2not h GLU 79 Ca -0.23 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.95 2not h GLU 79 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2not h GLU 79 CO 0.19 0.40 -0.97 -0.91 -1.00 0.00 0.00 179.01 176.72 2not h ASN 80 N 0.00 0.00 -1.59 1.42 2.35 -1.94 -3.51 115.58 112.32 2not h ASN 80 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2not h ASN 80 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2not h ASN 80 CO 0.05 0.79 0.00 0.61 -1.65 0.00 0.00 177.43 177.23 2not n GLY 81 N 1.34 0.77 3.77 2.83 0.00 -1.12 -4.86 105.19 107.91 2not n GLY 81 Ca -0.02 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 2not n GLY 81 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2not s PRO 82 N -2.00 3.45 -0.02 1.61 0.02 -1.26 -1.59 135.00 135.21 2not s PRO 82 Ca 0.00 1.82 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 2not s PRO 82 Cb 0.00 -2.22 0.02 0.00 0.02 0.00 0.00 34.50 32.32 2not s PRO 82 CO 0.00 -0.82 0.04 0.71 -0.33 0.00 0.00 177.00 176.61 2not s TYR 83 N -1.56 -0.03 -0.02 6.54 2.02 -0.87 -4.91 117.35 118.53 2not s TYR 83 Ca 0.69 0.15 -0.15 0.00 -0.37 0.00 0.00 57.07 57.38 2not s TYR 83 Cb -0.30 -0.09 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2not s TYR 83 CO 0.35 -0.06 0.41 0.00 -1.57 0.00 0.00 175.55 174.68 2not n ARG 85 N 2.09 3.39 -2.38 0.00 1.74 -0.83 -4.99 116.66 115.69 2not n ARG 85 Ca -0.13 -0.23 -0.39 0.00 -0.77 0.00 0.00 57.85 56.33 2not n ARG 85 Cb 0.52 -0.96 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.57 6.77 0.06 0.55 -0.87 -1.26 -4.92 114.94 113.71 2not s ASN 86 Ca 0.05 2.28 0.00 0.00 -1.57 0.00 0.00 52.86 53.62 2not s ASN 86 Cb 0.07 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2not s ASN 86 CO 0.29 -0.49 0.00 -0.38 -2.57 0.00 0.00 177.10 173.95 2not n ILE 87 N 0.37 0.07 0.07 0.60 5.41 -1.26 -4.83 119.36 119.78 2not n ILE 87 Ca 0.03 0.02 -0.09 0.00 1.00 0.00 0.00 62.75 63.71 2not n ILE 87 Cb 0.46 -0.75 0.03 0.00 -0.71 0.00 0.00 39.64 38.67 2not n ILE 87 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2not h LYS 88 N 0.00 0.32 -4.43 0.38 1.57 -2.05 -3.40 116.57 108.96 2not h LYS 88 Ca 0.00 -0.28 -0.74 0.00 -1.87 0.00 0.00 60.65 57.76 2not h LYS 88 Cb 0.19 0.06 -0.22 0.00 0.08 0.00 0.00 32.23 32.35 2not h LYS 88 CO 0.00 0.94 0.47 0.15 -0.57 0.00 0.00 179.45 180.44 2not s LYS 89 N -3.51 3.60 0.24 3.15 1.02 -1.26 -4.93 119.74 118.05 2not s LYS 89 Ca -0.05 -2.11 -0.14 0.00 0.02 0.00 0.00 55.97 53.69 2not s LYS 89 Cb 0.10 -4.67 0.31 0.00 -0.52 0.00 0.00 37.83 33.05 2not s LYS 89 CO 0.83 -1.53 1.54 0.36 -0.92 0.00 0.00 175.35 175.63 2not n LYS 90 N 5.27 -0.19 -0.01 1.68 -0.00 -1.26 -1.59 118.16 122.06 2not n LYS 90 Ca 0.19 1.53 -0.13 0.00 -0.00 0.00 0.00 58.31 59.91 2not n LYS 90 Cb 0.48 -2.28 -0.09 0.00 -0.00 0.00 0.00 35.03 33.14 2not n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2not h LEU 92 N -0.31 0.34 0.23 0.00 3.38 -1.92 0.46 115.31 117.50 2not h LEU 92 Ca 0.01 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2not h LEU 92 Cb 0.40 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.09 2not h LEU 92 CO 0.00 0.24 -1.42 -0.09 0.09 0.00 0.00 178.44 177.27 2not h ARG 93 N 0.40 0.49 0.02 1.13 9.65 -1.14 -2.17 114.38 122.75 2not h ARG 93 Ca 0.11 -0.83 -0.00 0.00 -1.10 0.00 0.00 59.98 58.16 2not h ARG 93 Cb -0.04 0.31 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2not h ARG 93 CO -0.02 1.40 -0.01 0.35 2.80 0.00 0.00 179.97 184.48 2not h PHE 94 N 0.05 -0.03 -0.45 2.20 3.57 -0.45 -1.52 116.94 120.32 2not h PHE 94 Ca -0.25 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 2not h PHE 94 Cb 2.08 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.80 2not h PHE 94 CO 0.14 0.02 0.08 0.28 -2.23 0.00 0.00 178.31 176.60 2not h VAL 95 N -0.07 1.21 -0.01 1.41 2.07 -1.04 -2.29 116.25 117.52 2not h VAL 95 Ca -0.00 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2not h VAL 95 Cb 0.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2not h VAL 95 CO 0.01 0.28 -0.02 0.00 0.02 0.00 0.00 177.57 177.85 2not h ASP 97 N -0.04 0.00 -0.09 0.00 3.32 -1.04 0.23 116.42 118.80 2not h ASP 97 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2not h ASP 97 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2not h ASP 97 CO -0.03 0.12 -0.01 0.00 -1.72 0.00 0.00 179.24 177.60 2not h ASP 99 N -0.14 0.11 0.12 0.00 3.32 -0.87 -2.26 116.42 116.69 2not h ASP 99 Ca 0.02 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.77 2not h ASP 99 Cb 0.37 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2not h ASP 99 CO 0.01 0.67 -0.97 0.58 -1.72 0.00 0.00 179.24 177.81 2not h VAL 100 N 0.07 1.33 -0.31 -1.35 2.07 -0.62 -1.98 116.25 115.45 2not h VAL 100 Ca -0.01 -2.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.16 2not h VAL 100 Cb 1.06 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 2not h VAL 100 CO 0.08 0.70 -0.04 -0.08 0.02 0.00 0.00 177.57 178.25 2not h GLU 101 N 0.35 0.58 -0.63 1.57 4.57 -1.41 -1.89 114.58 117.71 2not h GLU 101 Ca -0.10 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 2not h GLU 101 Cb 1.61 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.13 2not h GLU 101 CO 0.18 0.75 0.28 0.00 -1.18 0.00 0.00 179.01 179.04 2not h ALA 102 N 0.81 0.82 -0.32 2.92 0.00 -1.45 -0.60 119.26 121.44 2not h ALA 102 Ca 0.08 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2not h ALA 102 Cb 0.51 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2not h ALA 102 CO 0.02 0.41 0.06 0.00 0.00 0.00 0.00 179.25 179.74 2not h ALA 103 N 1.12 0.34 0.00 0.00 0.00 -1.21 0.27 119.26 119.78 2not h ALA 103 Ca 0.22 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2not h ALA 103 Cb 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2not h ALA 103 CO -0.02 -0.35 -0.48 0.74 0.00 0.00 0.00 179.25 179.14 2not h PHE 104 N 0.17 0.00 -0.28 0.00 0.04 -1.15 -2.95 116.94 112.78 2not h PHE 104 Ca 0.15 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.77 2not h PHE 104 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2not h PHE 104 CO -0.18 0.48 -0.46 0.00 -0.60 0.00 0.00 178.31 177.55 2not h PHE 106 N 0.58 0.47 -0.05 0.00 -1.00 -0.83 0.18 116.94 116.29 2not h PHE 106 Ca 0.03 -0.12 -0.23 0.00 2.81 0.00 0.00 57.97 60.46 2not h PHE 106 Cb 1.02 -0.11 0.01 0.00 3.61 0.00 0.00 35.95 40.48 2not h PHE 106 CO 0.05 0.73 -0.89 0.00 -1.61 0.00 0.00 178.31 176.59 2not h ALA 107 N 1.26 0.35 0.04 2.45 0.00 -1.49 -3.23 119.26 118.64 2not h ALA 107 Ca 0.04 -0.66 -0.22 0.00 0.00 0.00 0.00 54.91 54.06 2not h ALA 107 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2not h ALA 107 CO 0.07 0.75 -1.00 0.87 0.00 0.00 0.00 179.25 179.94 2not h LYS 108 N 0.34 0.17 -6.80 0.00 1.57 -1.39 -3.46 116.57 107.00 2not h LYS 108 Ca -0.08 -0.23 -0.52 0.00 -1.87 0.00 0.00 60.65 57.95 2not h LYS 108 Cb 1.51 0.08 0.06 0.00 0.08 0.00 0.00 32.23 33.96 2not h LYS 108 CO 0.16 1.03 0.69 0.00 -0.57 0.00 0.00 179.45 180.77 2not s ALA 109 N -2.95 3.56 0.27 3.86 0.00 0.04 -5.01 121.76 121.53 2not s ALA 109 Ca -0.02 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 2not s ALA 109 Cb 0.09 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2not s ALA 109 CO 0.84 -0.68 1.39 -1.25 0.00 0.00 0.00 175.76 176.07 2not s PRO 110 N -0.96 4.30 -0.32 0.00 0.04 -1.26 -4.90 135.00 131.89 2not s PRO 110 Ca 0.54 2.26 -0.12 0.00 0.04 0.00 0.00 61.00 63.73 2not s PRO 110 Cb -0.40 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 2not s PRO 110 CO 0.47 -0.35 0.20 -0.47 0.04 0.00 0.00 177.00 176.90 2not s TYR 111 N -0.32 3.21 -0.27 0.56 6.14 -1.26 -4.37 117.35 121.04 2not s TYR 111 Ca 0.56 -0.24 -0.15 0.00 0.64 0.00 0.00 57.07 57.88 2not s TYR 111 Cb -0.41 -2.42 -0.03 0.00 0.42 0.00 0.00 41.96 39.51 2not s TYR 111 CO 0.46 -0.34 0.40 -0.80 0.64 0.00 0.00 175.55 175.91 2not s ASN 112 N 1.70 6.29 0.52 4.32 0.01 -1.26 -4.97 114.94 121.55 2not s ASN 112 Ca 0.06 0.33 0.22 0.00 -0.71 0.00 0.00 52.86 52.75 2not s ASN 112 Cb -0.17 -2.22 1.38 0.00 0.41 0.00 0.00 41.25 40.64 2not s ASN 112 CO 0.09 -0.21 2.11 0.78 -1.51 0.00 0.00 177.10 178.37 2not h ASN 113 N 8.15 0.00 0.27 -1.22 2.35 -1.98 -1.91 115.58 121.24 2not h ASN 113 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2not h ASN 113 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2not h ASN 113 CO 0.66 0.09 0.00 0.00 -1.65 0.00 0.00 177.43 176.52 2not n ALA 114 N -2.41 2.39 0.50 -0.83 0.00 -1.26 -2.86 120.51 116.04 2not n ALA 114 Ca -0.03 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.35 2not n ALA 114 Cb 0.17 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.28 2not n ALA 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2not n ASN 115 N -1.16 2.40 -4.71 0.00 3.02 -0.72 -4.84 115.26 109.26 2not n ASN 115 Ca 0.16 -1.68 -0.39 0.00 -0.03 0.00 0.00 54.58 52.63 2not n ASN 115 Cb 0.16 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.22 3.54 -1.16 3.10 -0.00 -1.13 -0.45 118.94 121.61 2not s TRP 116 Ca 0.20 1.14 -0.04 0.00 -0.00 0.00 0.00 56.10 57.40 2not s TRP 116 Cb 0.13 -2.76 0.00 0.00 -0.00 0.00 0.00 33.47 30.84 2not s TRP 116 CO 0.19 0.06 0.99 -1.71 -0.00 0.00 0.00 176.95 176.49 2not n ASN 117 N 3.95 -4.18 -4.83 5.86 2.85 -0.15 -4.97 115.26 113.80 2not n ASN 117 Ca -0.02 -0.52 -0.30 0.00 -0.11 0.00 0.00 54.58 53.63 2not n ASN 117 Cb 0.51 -4.63 0.08 0.00 1.24 0.00 0.00 39.78 36.98 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 -3.30 3.23 -0.58 -1.44 -4.36 -1.26 -4.98 121.20 108.50 2not s ILE 118 Ca 0.29 0.40 -0.24 0.00 -0.26 0.00 0.00 60.65 60.83 2not s ILE 118 Cb -0.13 -3.22 0.04 0.00 1.25 0.00 0.00 42.46 40.40 2not s ILE 118 CO 0.66 -0.52 0.99 -0.62 0.24 0.00 0.00 174.94 175.68 2not s ASP 119 N -4.05 6.32 0.44 4.36 2.15 -1.26 -4.89 116.67 119.74 2not s ASP 119 Ca 0.60 -0.40 0.30 0.00 0.43 0.00 0.00 52.55 53.48 2not s ASP 119 Cb -0.13 -2.45 1.34 0.00 -0.30 0.00 0.00 42.92 41.37 2not s ASP 119 CO 0.53 -1.31 1.91 0.71 -0.17 0.00 0.00 175.17 176.84 2not h THR 120 N 6.03 0.00 -0.00 1.71 1.35 -1.93 0.14 112.91 120.20 2not h THR 120 Ca -0.26 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2not h THR 120 Cb 1.07 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2not h THR 120 CO 1.12 0.00 -0.00 0.50 -0.25 0.00 0.00 175.52 176.89 2not h LYS 121 N 0.00 0.01 0.00 4.72 3.64 -1.90 -0.25 116.57 122.79 2not h LYS 121 Ca 0.00 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 2not h LYS 121 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2not h LYS 121 CO 0.00 0.56 -0.84 -0.22 -2.27 0.00 0.00 179.45 176.69 2not h LYS 122 N -0.55 0.00 0.00 1.90 3.64 -1.94 -3.40 116.57 116.22 2not h LYS 122 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2not h LYS 122 Cb 0.56 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2not h LYS 122 CO 0.00 0.60 -1.88 0.54 -2.27 0.00 0.00 179.45 176.44 2not n ARG 123 N -3.20 1.42 -3.09 1.90 5.12 0.47 -4.82 116.66 114.47 2not n ARG 123 Ca -0.01 0.03 -0.36 0.00 -1.93 0.00 0.00 57.85 55.58 2not n ARG 123 Cb 0.82 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.78 2not n ARG 123 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70