#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rfr n ASP 2 N 0.00 0.00 -4.63 1.61 8.00 -1.26 -4.61 116.55 115.66 2rfr n ASP 2 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 2rfr n ASP 2 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 2rfr n ASP 2 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2rfr s ASP 3 N 0.00 3.53 0.18 -2.24 1.47 -1.26 -4.77 116.67 113.58 2rfr s ASP 3 Ca 0.00 0.77 -0.13 0.00 1.18 0.00 0.00 52.55 54.37 2rfr s ASP 3 Cb 0.00 -1.20 0.09 0.00 -0.34 0.00 0.00 42.92 41.47 2rfr s ASP 3 CO 0.00 -2.52 1.84 0.25 0.68 0.00 0.00 175.17 175.42 2rfr h LEU 4 N -1.48 0.71 -0.81 2.11 5.85 -1.99 0.35 115.31 120.04 2rfr h LEU 4 Ca -0.48 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 2rfr h LEU 4 Cb 1.31 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2rfr h LEU 4 CO 0.57 0.54 0.12 0.74 -0.34 0.00 0.00 178.44 180.07 2rfr h THR 5 N 0.82 1.25 -0.40 1.05 2.02 -1.93 -1.27 112.91 114.46 2rfr h THR 5 Ca 0.22 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 2rfr h THR 5 Cb -0.06 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2rfr h THR 5 CO -0.04 0.36 0.02 -1.13 0.37 0.00 0.00 175.52 175.09 2rfr h ASN 6 N 0.96 0.68 -0.68 4.18 -0.73 -1.65 -1.98 115.58 116.35 2rfr h ASN 6 Ca 0.20 -0.30 -0.04 0.00 1.87 0.00 0.00 56.30 58.03 2rfr h ASN 6 Cb 0.39 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 2rfr h ASN 6 CO 0.01 0.81 0.28 -0.07 -0.37 0.00 0.00 177.43 178.08 2rfr h LEU 7 N 0.53 0.94 -0.81 0.34 3.38 -0.69 -1.21 115.31 117.78 2rfr h LEU 7 Ca 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2rfr h LEU 7 Cb 0.45 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2rfr h LEU 7 CO 0.02 0.85 0.46 0.00 0.09 0.00 0.00 178.44 179.85 2rfr h ALA 8 N 1.12 1.04 -0.33 1.53 0.00 -1.01 0.61 119.26 122.22 2rfr h ALA 8 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2rfr h ALA 8 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2rfr h ALA 8 CO -0.02 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2rfr h ALA 9 N 1.24 0.45 -0.61 0.00 0.00 -1.01 -0.86 119.26 118.47 2rfr h ALA 9 Ca 0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2rfr h ALA 9 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2rfr h ALA 9 CO -0.05 0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.41 2rfr h ARG 10 N 0.39 1.06 -0.52 0.00 3.08 -1.00 -2.31 114.38 115.07 2rfr h ARG 10 Ca 0.09 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 2rfr h ARG 10 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2rfr h ARG 10 CO 0.02 1.02 0.19 1.25 -1.07 0.00 0.00 179.97 181.38 2rfr h LEU 11 N 0.97 0.74 -0.90 3.04 5.85 -0.77 -2.44 115.31 121.80 2rfr h LEU 11 Ca 0.17 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2rfr h LEU 11 Cb 0.54 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2rfr h LEU 11 CO 0.03 0.72 0.57 -0.09 -0.34 0.00 0.00 178.44 179.33 2rfr h ARG 12 N 0.71 1.05 -0.52 1.25 2.43 -0.92 0.61 114.38 118.98 2rfr h ARG 12 Ca 0.17 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2rfr h ARG 12 Cb 0.23 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2rfr h ARG 12 CO -0.01 0.69 0.17 -0.07 -1.51 0.00 0.00 179.97 179.25 2rfr h LEU 13 N 1.08 0.75 -0.76 3.80 3.38 -1.20 0.46 115.31 122.83 2rfr h LEU 13 Ca 0.37 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2rfr h LEU 13 Cb 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2rfr h LEU 13 CO -0.14 0.75 0.49 -0.07 0.09 0.00 0.00 178.44 179.56 2rfr h LEU 14 N 0.71 0.85 -0.76 1.67 3.38 -0.92 -1.15 115.31 119.09 2rfr h LEU 14 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2rfr h LEU 14 Cb 0.26 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2rfr h LEU 14 CO -0.01 0.60 0.43 -0.33 0.09 0.00 0.00 178.44 179.22 2rfr h GLU 15 N 1.00 1.06 -0.12 1.13 5.08 -0.53 -0.92 114.58 121.27 2rfr h GLU 15 Ca 0.28 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2rfr h GLU 15 Cb -0.08 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 2rfr h GLU 15 CO -0.07 0.78 0.05 -0.44 -1.00 0.00 0.00 179.01 178.32 2rfr h ASP 16 N 1.05 0.07 -0.67 1.42 3.32 -0.39 -0.58 116.42 120.64 2rfr h ASP 16 Ca 0.27 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2rfr h ASP 16 Cb 0.02 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2rfr h ASP 16 CO -0.04 0.06 0.14 0.03 -1.72 0.00 0.00 179.24 177.70 2rfr h ARG 17 N 0.12 1.09 -0.29 3.56 3.08 -1.00 -1.30 114.38 119.63 2rfr h ARG 17 Ca 0.05 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2rfr h ARG 17 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2rfr h ARG 17 CO -0.04 0.98 0.17 1.49 -1.07 0.00 0.00 179.97 181.50 2rfr h GLU 18 N 1.01 0.39 -0.70 0.04 4.57 -0.98 -1.07 114.58 117.85 2rfr h GLU 18 Ca 0.21 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2rfr h GLU 18 Cb 0.40 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 2rfr h GLU 18 CO 0.01 0.32 0.45 1.49 -1.18 0.00 0.00 179.01 180.09 2rfr h GLU 19 N 0.36 0.93 -0.36 1.92 4.81 -0.77 0.28 114.58 121.76 2rfr h GLU 19 Ca 0.10 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2rfr h GLU 19 Cb 0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2rfr h GLU 19 CO -0.02 0.63 0.05 0.82 -0.73 0.00 0.00 179.01 179.76 2rfr h ILE 20 N 0.95 1.24 -0.83 2.32 2.04 -1.07 -1.51 117.51 120.64 2rfr h ILE 20 Ca 0.25 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2rfr h ILE 20 Cb -0.08 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2rfr h ILE 20 CO -0.05 0.29 0.51 0.03 0.00 0.00 0.00 178.15 178.93 2rfr h ARG 21 N 0.43 1.12 -0.72 2.37 3.08 -0.86 -2.38 114.38 117.42 2rfr h ARG 21 Ca 0.11 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2rfr h ARG 21 Cb 0.38 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2rfr h ARG 21 CO 0.01 0.78 0.20 1.49 -1.07 0.00 0.00 179.97 181.37 2rfr h GLU 22 N 1.14 1.13 -0.16 0.04 4.57 -0.64 -0.25 114.58 120.41 2rfr h GLU 22 Ca 0.30 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2rfr h GLU 22 Cb -0.06 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 2rfr h GLU 22 CO -0.06 0.98 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.65 2rfr h LEU 23 N 1.07 -0.15 -0.73 1.64 3.38 -0.82 -0.88 115.31 118.82 2rfr h LEU 23 Ca 0.23 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 2rfr h LEU 23 Cb 0.34 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2rfr h LEU 23 CO -0.00 -0.05 0.27 0.40 0.09 0.00 0.00 178.44 179.14 2rfr h ILE 24 N 0.00 1.26 0.00 1.22 2.04 -1.24 -2.66 117.51 118.13 2rfr h ILE 24 Ca 0.08 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 2rfr h ILE 24 Cb 0.12 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2rfr h ILE 24 CO -0.17 0.33 -0.20 0.00 0.00 0.00 0.00 178.15 178.12 2rfr h ALA 25 N 1.13 1.13 0.00 1.87 0.00 -0.68 -2.59 119.26 120.13 2rfr h ALA 25 Ca 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2rfr h ALA 25 Cb 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2rfr h ALA 25 CO -0.01 0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 2rfr h ARG 26 N 0.00 0.00 0.15 0.00 3.08 -0.81 -3.38 114.38 113.41 2rfr h ARG 26 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2rfr h ARG 26 Cb 0.59 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2rfr h ARG 26 CO 0.03 0.09 -0.26 -0.92 -1.07 0.00 0.00 179.97 177.84 2rfr h TYR 27 N 0.00 -0.69 -0.05 3.04 3.20 -1.33 -1.88 116.97 119.26 2rfr h TYR 27 Ca -0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2rfr h TYR 27 Cb 1.04 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 2rfr h TYR 27 CO 0.00 -0.37 0.01 0.78 -1.64 0.00 0.00 178.16 176.95 2rfr h GLY 28 N -0.48 0.08 0.42 1.82 0.00 -1.75 0.36 103.07 103.52 2rfr h GLY 28 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.41 2rfr h GLY 28 CO -0.13 0.05 0.40 -2.55 0.00 0.00 0.00 176.54 174.30 2rfr h PRO 29 N -0.15 0.63 -0.56 4.80 0.11 -1.75 0.11 132.00 135.19 2rfr h PRO 29 Ca 0.01 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 2rfr h PRO 29 Cb 0.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2rfr h PRO 29 CO 0.00 0.42 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.04 2rfr h LEU 30 N 0.65 1.04 -0.28 2.35 3.38 -1.03 -1.86 115.31 119.56 2rfr h LEU 30 Ca 0.39 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2rfr h LEU 30 Cb 0.43 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2rfr h LEU 30 CO -0.29 1.14 0.05 0.00 0.09 0.00 0.00 178.44 179.44 2rfr h ALA 31 N 0.95 0.37 0.00 1.53 0.00 -0.35 -0.36 119.26 121.40 2rfr h ALA 31 Ca 0.15 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2rfr h ALA 31 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2rfr h ALA 31 CO 0.05 0.05 -0.27 -0.44 0.00 0.00 0.00 179.25 178.63 2rfr h ASP 32 N 0.28 0.00 0.02 0.00 3.32 -0.73 -2.12 116.42 117.19 2rfr h ASP 32 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2rfr h ASP 32 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2rfr h ASP 32 CO 0.00 0.27 -0.05 -1.54 -1.72 0.00 0.00 179.24 176.20 2rfr n SER 33 N -3.47 1.70 -0.61 6.45 3.41 -0.71 -4.96 113.62 115.43 2rfr n SER 33 Ca -0.00 -1.50 -0.07 0.00 -0.26 0.00 0.00 58.87 57.04 2rfr n SER 33 Cb 0.45 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2rfr n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rfr n GLY 34 N 1.24 0.60 3.16 5.00 0.00 -0.80 -4.94 105.19 109.45 2rfr n GLY 34 Ca 0.17 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2rfr n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2rfr n ASP 35 N 0.84 5.08 -0.22 1.61 -0.08 -0.20 -4.80 116.55 118.77 2rfr n ASP 35 Ca -0.07 -3.03 -0.06 0.00 -1.51 0.00 0.00 54.79 50.12 2rfr n ASP 35 Cb 0.35 -1.54 0.04 0.00 2.34 0.00 0.00 41.12 42.30 2rfr n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2rfr h ALA 36 N 6.45 0.78 0.34 -1.67 0.00 -1.88 -1.06 119.26 122.23 2rfr h ALA 36 Ca 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2rfr h ALA 36 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2rfr h ALA 36 CO 1.47 0.23 -0.16 1.49 0.00 0.00 0.00 179.25 182.27 2rfr h GLU 37 N 0.83 -0.44 -0.70 0.00 4.81 -1.89 -1.01 114.58 116.18 2rfr h GLU 37 Ca 0.22 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2rfr h GLU 37 Cb -0.07 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2rfr h GLU 37 CO -0.05 -0.26 0.36 0.00 -0.73 0.00 0.00 179.01 178.33 2rfr h ALA 38 N 0.13 1.31 -0.50 2.92 0.00 -1.95 -1.87 119.26 119.30 2rfr h ALA 38 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2rfr h ALA 38 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2rfr h ALA 38 CO 0.08 0.55 0.31 1.25 0.00 0.00 0.00 179.25 181.44 2rfr h LEU 39 N 0.99 0.59 -1.64 0.00 6.46 -1.06 -2.42 115.31 118.22 2rfr h LEU 39 Ca 0.25 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2rfr h LEU 39 Cb 0.07 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2rfr h LEU 39 CO -0.04 0.45 -0.10 0.77 -0.62 0.00 0.00 178.44 178.91 2rfr h SER 40 N 0.67 0.10 0.19 1.25 4.64 -0.76 -1.95 113.55 117.69 2rfr h SER 40 Ca 0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2rfr h SER 40 Cb -0.04 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2rfr h SER 40 CO -0.04 0.22 0.00 -0.62 -0.87 0.00 0.00 176.83 175.52 2rfr n GLU 41 N -4.36 0.62 0.25 4.77 1.02 -0.74 -1.90 120.64 120.29 2rfr n GLU 41 Ca -0.02 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 2rfr n GLU 41 Cb 0.21 -1.50 0.67 0.00 -0.02 0.00 0.00 31.44 30.79 2rfr n GLU 41 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2rfr h LEU 42 N 0.00 0.00-10.13 -4.62 3.38 -1.23 -3.44 115.31 99.27 2rfr h LEU 42 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2rfr h LEU 42 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2rfr h LEU 42 CO 0.00 0.15 -0.30 0.26 0.09 0.00 0.00 178.44 178.63 2rfr s TRP 43 N -4.08 3.48 0.99 1.13 0.51 -0.80 -0.54 118.94 119.63 2rfr s TRP 43 Ca -0.02 0.30 -0.12 0.00 -2.12 0.00 0.00 56.10 54.14 2rfr s TRP 43 Cb 0.13 -1.83 0.16 0.00 -0.81 0.00 0.00 33.47 31.11 2rfr s TRP 43 CO 0.60 0.31 0.92 1.33 -0.51 0.00 0.00 176.95 179.60 2rfr n VAL 44 N -1.08 0.00 -0.19 4.03 0.24 -0.01 -4.80 118.33 116.52 2rfr n VAL 44 Ca -0.05 -0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.14 2rfr n VAL 44 Cb 0.55 -0.91 0.31 0.00 -1.47 0.00 0.00 33.84 32.32 2rfr n VAL 44 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2rfr h GLU 45 N -2.02 0.84 -0.76 7.34 5.08 -1.93 -0.71 114.58 122.42 2rfr h GLU 45 Ca -0.48 -0.05 -0.39 0.00 -1.00 0.00 0.00 59.36 57.44 2rfr h GLU 45 Cb 1.29 -0.19 -0.23 0.00 0.50 0.00 0.00 28.75 30.12 2rfr h GLU 45 CO 0.41 0.56 0.38 -0.40 -1.00 0.00 0.00 179.01 178.96 2rfr n ASP 46 N -4.46 3.26 -4.71 1.42 5.75 -1.26 -1.89 116.55 114.66 2rfr n ASP 46 Ca 0.09 -3.68 -0.31 0.00 -0.01 0.00 0.00 54.79 50.89 2rfr n ASP 46 Cb 0.14 -0.76 0.14 0.00 -1.03 0.00 0.00 41.12 39.60 2rfr n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2rfr s GLY 47 N -1.77 1.67 0.07 6.12 0.00 -0.27 -4.28 107.32 108.86 2rfr s GLY 47 Ca 0.52 0.33 0.05 0.00 0.00 0.00 0.00 44.72 45.63 2rfr s GLY 47 CO 0.07 0.74 -0.15 -0.54 0.00 0.00 0.00 173.10 173.22 2rfr s GLU 48 N -4.78 0.85 -0.19 2.90 2.02 -0.31 -0.20 118.70 119.00 2rfr s GLU 48 Ca 0.64 -0.98 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 2rfr s GLU 48 Cb -0.20 -0.88 0.06 0.00 0.10 0.00 0.00 34.13 33.20 2rfr s GLU 48 CO 0.57 0.20 0.02 -0.47 0.02 0.00 0.00 175.26 175.60 2rfr s TYR 49 N -1.26 1.22 -0.10 1.61 5.04 -0.28 -1.20 117.35 122.38 2rfr s TYR 49 Ca -0.01 -0.94 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 2rfr s TYR 49 Cb -0.10 -1.10 -0.02 0.00 0.35 0.00 0.00 41.96 41.09 2rfr s TYR 49 CO 0.02 -0.61 -0.10 0.00 -1.34 0.00 0.00 175.55 173.53 2rfr s ALA 50 N 1.79 2.80 -0.04 3.97 0.00 0.01 -1.49 121.76 128.80 2rfr s ALA 50 Ca -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2rfr s ALA 50 Cb -0.17 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.73 2rfr s ALA 50 CO -0.07 0.39 -0.07 0.08 0.00 0.00 0.00 175.76 176.09 2rfr s VAL 51 N -0.18 0.70 0.14 0.00 1.01 -1.26 -1.15 120.40 119.66 2rfr s VAL 51 Ca 0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 61.98 61.39 2rfr s VAL 51 Cb -0.13 -0.67 -0.15 0.00 0.00 0.00 0.00 36.38 35.43 2rfr s VAL 51 CO 0.03 0.25 1.49 0.52 0.00 0.00 0.00 175.10 177.39 2rfr n VAL 52 N 3.74 0.01 -1.00 2.92 0.31 -1.04 -1.22 118.33 122.06 2rfr n VAL 52 Ca -0.23 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2rfr n VAL 52 Cb 0.52 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2rfr n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rfr n GLY 53 N 3.09 0.48 3.33 2.92 0.00 -1.26 -5.00 105.19 108.76 2rfr n GLY 53 Ca 0.17 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2rfr n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rfr s PHE 54 N -2.00 1.83 0.35 1.61 0.40 -0.36 -5.11 117.98 114.70 2rfr s PHE 54 Ca 0.00 -0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 2rfr s PHE 54 Cb 0.00 -0.92 -0.11 0.00 0.51 0.00 0.00 43.02 42.50 2rfr s PHE 54 CO 0.00 0.33 1.52 0.00 0.70 0.00 0.00 175.22 177.77 2rfr n ALA 55 N 0.32 2.41 -2.17 5.36 0.00 -1.26 -4.63 120.51 120.54 2rfr n ALA 55 Ca -0.13 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2rfr n ALA 55 Cb 0.57 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 2rfr n ALA 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2rfr s THR 56 N -0.81 3.84 -0.34 0.00 2.01 -1.26 -4.76 115.64 114.32 2rfr s THR 56 Ca 0.56 1.48 -0.24 0.00 0.31 0.00 0.00 61.69 63.80 2rfr s THR 56 Cb -0.48 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.09 2rfr s THR 56 CO 0.60 0.21 0.84 0.00 -0.69 0.00 0.00 174.62 175.57 2rfr s ALA 57 N 0.20 3.47 -0.16 7.40 0.00 -0.56 -4.96 121.76 127.15 2rfr s ALA 57 Ca 0.53 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.03 2rfr s ALA 57 Cb -0.30 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.43 2rfr s ALA 57 CO 0.34 -1.41 -0.21 0.21 0.00 0.00 0.00 175.76 174.69 2rfr s LYS 58 N 3.18 3.02 0.00 0.00 2.47 -1.26 -1.13 119.74 126.02 2rfr s LYS 58 Ca 0.34 -0.84 0.00 0.00 -1.56 0.00 0.00 55.97 53.92 2rfr s LYS 58 Cb -0.13 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.73 2rfr s LYS 58 CO 0.16 -0.10 0.00 0.41 0.16 0.00 0.00 175.35 175.98 2rfr n GLY 59 N 4.31 0.91 0.37 5.54 0.00 0.72 -4.41 105.19 112.63 2rfr n GLY 59 Ca -0.20 -1.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.07 2rfr n GLY 59 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rfr h ARG 60 N 0.00 1.30 -0.77 1.61 3.08 -1.62 -1.73 114.38 116.24 2rfr h ARG 60 Ca 0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2rfr h ARG 60 Cb 0.00 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 29.73 2rfr h ARG 60 CO 0.00 0.88 0.44 0.00 -1.07 0.00 0.00 179.97 180.22 2rfr h ALA 61 N 1.36 0.99 -0.39 0.04 0.00 -1.87 0.34 119.26 119.73 2rfr h ALA 61 Ca 0.36 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2rfr h ALA 61 Cb -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 2rfr h ALA 61 CO -0.07 0.48 -0.29 0.00 0.00 0.00 0.00 179.25 179.37 2rfr h ALA 62 N 1.23 0.76 -0.25 0.00 0.00 -1.59 -0.42 119.26 118.98 2rfr h ALA 62 Ca 0.27 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2rfr h ALA 62 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2rfr h ALA 62 CO -0.05 0.66 -0.07 0.82 0.00 0.00 0.00 179.25 180.61 2rfr h ILE 63 N 0.71 1.29 -0.92 0.00 2.04 -0.97 -2.72 117.51 116.94 2rfr h ILE 63 Ca 0.08 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.90 2rfr h ILE 63 Cb 0.83 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 2rfr h ILE 63 CO 0.07 0.34 0.60 0.00 0.00 0.00 0.00 178.15 179.16 2rfr h ALA 64 N 0.76 1.45 0.00 1.87 0.00 -0.77 -2.11 119.26 120.46 2rfr h ALA 64 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2rfr h ALA 64 Cb 0.54 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rfr h ALA 64 CO 0.03 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 2rfr h ALA 65 N 1.48 1.37 -0.59 0.00 0.00 -0.79 -1.22 119.26 119.50 2rfr h ALA 65 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2rfr h ALA 65 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2rfr h ALA 65 CO -0.13 0.15 0.30 -0.07 0.00 0.00 0.00 179.25 179.51 2rfr h LEU 66 N 0.00 0.76 -0.18 0.00 3.38 -1.08 -0.34 115.31 117.85 2rfr h LEU 66 Ca -0.00 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.64 2rfr h LEU 66 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2rfr h LEU 66 CO 0.02 0.66 -0.95 0.40 0.09 0.00 0.00 178.44 178.65 2rfr h ILE 67 N 0.80 1.48 0.00 1.22 1.08 -1.32 -2.97 117.51 117.81 2rfr h ILE 67 Ca 0.21 -2.68 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 2rfr h ILE 67 Cb 0.08 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 2rfr h ILE 67 CO -0.03 0.79 0.00 0.47 -0.69 0.00 0.00 178.15 178.69 2rfr n ASP 68 N -3.65 0.00 -4.79 1.72 8.00 -0.61 -4.38 116.55 112.85 2rfr n ASP 68 Ca -0.05 0.30 -0.33 0.00 0.71 0.00 0.00 54.79 55.42 2rfr n ASP 68 Cb 0.85 -0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2rfr n ASP 68 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2rfr s GLY 69 N -2.86 2.13 0.19 0.44 0.00 -0.15 -4.83 107.32 102.25 2rfr s GLY 69 Ca 0.17 0.46 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 2rfr s GLY 69 CO 0.47 0.79 1.59 1.46 0.00 0.00 0.00 173.10 177.41 2rfr h GLN 70 N 0.21 -0.13 -0.43 2.90 4.20 -1.88 -0.92 115.11 119.06 2rfr h GLN 70 Ca -0.47 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.13 2rfr h GLN 70 Cb 1.23 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2rfr h GLN 70 CO 0.56 -0.09 -0.21 1.79 -0.67 0.00 0.00 178.83 180.21 2rfr h THR 71 N -0.14 1.27 -0.57 -0.54 1.35 -1.92 0.10 112.91 112.47 2rfr h THR 71 Ca 0.25 -1.37 -0.07 0.00 -0.55 0.00 0.00 66.41 64.67 2rfr h THR 71 Cb 0.55 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 2rfr h THR 71 CO -0.70 0.46 0.09 -0.74 -0.25 0.00 0.00 175.52 174.38 2rfr h HIS 72 N 0.74 1.00 -0.56 4.73 -0.00 -1.73 -1.63 115.15 117.70 2rfr h HIS 72 Ca 0.10 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2rfr h HIS 72 Cb 0.78 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 2rfr h HIS 72 CO 0.06 0.88 0.23 0.00 -0.00 0.00 0.00 177.93 179.09 2rfr h ARG 73 N 0.83 0.80 -0.46 5.26 2.47 -0.78 -2.39 114.38 120.11 2rfr h ARG 73 Ca 0.17 -0.12 -0.13 0.00 -1.26 0.00 0.00 59.98 58.65 2rfr h ARG 73 Cb 0.42 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2rfr h ARG 73 CO 0.01 0.65 -0.22 0.00 0.56 0.00 0.00 179.97 180.97 2rfr h ALA 74 N 1.46 0.74 0.00 0.04 0.00 -0.58 -1.43 119.26 119.49 2rfr h ALA 74 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2rfr h ALA 74 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2rfr h ALA 74 CO -0.02 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.17 2rfr n LEU 75 N -4.11 0.16 0.00 0.00 4.77 -0.63 -1.48 117.00 115.71 2rfr n LEU 75 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2rfr n LEU 75 Cb 0.45 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2rfr n LEU 75 CO 0.46 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 2rfr n ALA 77 N 0.90 0.00 -0.18 -1.18 0.00 -0.54 -1.16 120.51 118.35 2rfr n ALA 77 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2rfr n ALA 77 Cb 0.03 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.63 2rfr n ALA 77 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2rfr h ASP 78 N 0.00 0.88 0.00 0.00 3.32 -1.54 -3.49 116.42 115.59 2rfr h ASP 78 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2rfr h ASP 78 Cb 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2rfr h ASP 78 CO 0.00 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 178.95 2rfr n GLY 79 N -0.89 1.75 3.13 2.75 0.00 -0.30 -4.38 105.19 107.25 2rfr n GLY 79 Ca 0.05 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2rfr n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rfr s ALA 81 N -2.35 1.22 -0.59 0.00 0.00 -0.55 -4.92 121.76 114.57 2rfr s ALA 81 Ca -0.07 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 2rfr s ALA 81 Cb -0.02 -0.69 0.11 0.00 0.00 0.00 0.00 23.12 22.52 2rfr s ALA 81 CO -0.03 -0.12 0.66 -1.01 0.00 0.00 0.00 175.76 175.26 2rfr s HIS 82 N 1.12 3.08 -0.58 0.00 3.76 -1.26 -0.95 115.29 120.47 2rfr s HIS 82 Ca -0.06 -1.08 -0.05 0.00 -0.15 0.00 0.00 55.06 53.71 2rfr s HIS 82 Cb -0.14 -3.96 0.15 0.00 1.11 0.00 0.00 32.58 29.73 2rfr s HIS 82 CO -0.02 -1.22 0.41 0.12 -0.85 0.00 0.00 174.74 173.18 2rfr s PHE 83 N 2.34 3.49 -0.10 1.40 2.19 0.14 -4.32 117.98 123.13 2rfr s PHE 83 Ca 0.10 -2.41 -0.17 0.00 0.33 0.00 0.00 56.93 54.78 2rfr s PHE 83 Cb -0.25 -3.34 -0.05 0.00 -1.31 0.00 0.00 43.02 38.08 2rfr s PHE 83 CO 0.05 -0.92 0.43 -0.51 1.83 0.00 0.00 175.22 176.10 2rfr s LEU 84 N 0.48 4.31 0.92 6.12 1.02 -1.26 -1.55 118.68 128.72 2rfr s LEU 84 Ca 0.13 0.79 -0.14 0.00 0.02 0.00 0.00 54.13 54.94 2rfr s LEU 84 Cb -0.21 -2.61 0.18 0.00 0.02 0.00 0.00 46.19 43.57 2rfr s LEU 84 CO -0.04 0.09 1.27 -0.83 0.02 0.00 0.00 176.35 176.87 2rfr s GLY 85 N 0.22 1.76 0.32 -3.19 0.00 -0.34 -5.00 107.32 101.09 2rfr s GLY 85 Ca 0.24 -1.21 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2rfr s GLY 85 CO 0.10 -0.49 1.37 -1.05 0.00 0.00 0.00 173.10 173.02 2rfr n PRO 86 N -3.61 2.24 -3.92 2.90 -0.02 -1.26 -4.70 135.00 126.62 2rfr n PRO 86 Ca 0.14 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 62.08 2rfr n PRO 86 Cb 0.60 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 2rfr n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rfr s ALA 87 N -0.81 3.93 0.07 3.55 0.00 -1.26 -4.62 121.76 122.62 2rfr s ALA 87 Ca 0.58 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 51.53 2rfr s ALA 87 Cb -0.56 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 2rfr s ALA 87 CO 0.59 0.74 0.73 -0.08 0.00 0.00 0.00 175.76 177.75 2rfr s THR 88 N -1.31 4.66 -0.04 0.00 -1.32 -0.59 -4.94 115.64 112.10 2rfr s THR 88 Ca 0.27 1.57 0.03 0.00 -1.21 0.00 0.00 61.69 62.35 2rfr s THR 88 Cb -0.13 -4.08 0.00 0.00 -1.51 0.00 0.00 72.50 66.78 2rfr s THR 88 CO 0.18 0.43 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.20 2rfr s VAL 89 N -0.44 1.12 -0.14 5.08 1.01 -1.26 -1.73 120.40 124.04 2rfr s VAL 89 Ca 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2rfr s VAL 89 Cb -0.21 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.21 2rfr s VAL 89 CO 0.23 0.34 -0.14 -0.89 0.00 0.00 0.00 175.10 174.63 2rfr s THR 90 N 0.22 1.56 -0.17 3.92 2.01 -0.03 -5.01 115.64 118.14 2rfr s THR 90 Ca -0.06 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 2rfr s THR 90 Cb -0.11 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 2rfr s THR 90 CO 0.02 0.46 0.13 -0.69 -0.69 0.00 0.00 174.62 173.85 2rfr s VAL 91 N 1.42 5.44 -0.38 3.82 1.01 -1.26 -1.14 120.40 129.32 2rfr s VAL 91 Ca 0.03 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2rfr s VAL 91 Cb -0.13 -3.44 0.13 0.00 0.00 0.00 0.00 36.38 32.93 2rfr s VAL 91 CO -0.09 0.51 0.19 -1.61 0.00 0.00 0.00 175.10 174.09 2rfr s GLU 92 N -0.17 0.95 6.14 2.72 8.01 0.00 -4.99 118.70 131.36 2rfr s GLU 92 Ca 0.11 -1.57 0.00 0.00 0.01 0.00 0.00 54.97 53.52 2rfr s GLU 92 Cb -0.11 -2.01 0.00 0.00 -4.31 0.00 0.00 34.13 27.70 2rfr s GLU 92 CO 0.00 -1.12 0.00 0.41 0.01 0.00 0.00 175.26 174.57 2rfr n GLY 93 N 4.06 1.61 0.92 -1.39 0.00 -1.26 -2.06 105.19 107.07 2rfr n GLY 93 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2rfr n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rfr n ASP 94 N 10.94 3.31 -4.46 1.61 8.00 -1.26 -4.96 116.55 129.72 2rfr n ASP 94 Ca 0.00 -1.99 -0.22 0.00 0.71 0.00 0.00 54.79 53.29 2rfr n ASP 94 Cb 0.00 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.67 2rfr n ASP 94 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2rfr s THR 95 N -1.01 1.66 0.16 -3.53 -4.23 -0.87 -0.87 115.64 106.94 2rfr s THR 95 Ca 0.33 -2.10 -0.21 0.00 -1.18 0.00 0.00 61.69 58.53 2rfr s THR 95 Cb 0.17 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.50 2rfr s THR 95 CO 0.23 -0.22 0.56 0.00 -0.54 0.00 0.00 174.62 174.65 2rfr s ALA 96 N -2.99 -1.38 0.00 3.99 0.00 -0.84 -0.82 121.76 119.72 2rfr s ALA 96 Ca 0.31 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.58 2rfr s ALA 96 Cb 0.05 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 2rfr s ALA 96 CO 0.13 -0.76 -0.10 0.99 0.00 0.00 0.00 175.76 176.03 2rfr s THR 97 N -3.78 0.78 0.07 0.00 2.01 -0.29 -0.87 115.64 113.55 2rfr s THR 97 Ca 0.03 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.55 2rfr s THR 97 Cb -0.01 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 2rfr s THR 97 CO -0.11 0.15 -0.10 0.00 -0.69 0.00 0.00 174.62 173.88 2rfr s ALA 98 N -0.36 0.87 -0.01 7.40 0.00 0.05 -0.85 121.76 128.86 2rfr s ALA 98 Ca 0.03 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2rfr s ALA 98 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2rfr s ALA 98 CO -0.00 0.00 -0.13 1.03 0.00 0.00 0.00 175.76 176.66 2rfr s ARG 99 N -2.10 1.04 0.25 0.00 0.52 -0.70 -0.75 118.95 117.21 2rfr s ARG 99 Ca -0.03 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.51 2rfr s ARG 99 Cb -0.07 -1.01 0.02 0.00 0.52 0.00 0.00 34.95 34.41 2rfr s ARG 99 CO 0.00 0.27 0.62 0.00 0.02 0.00 0.00 175.30 176.22 2rfr s HIS 101 N -3.93 3.48 0.01 0.00 3.76 -1.26 -0.78 115.29 116.57 2rfr s HIS 101 Ca 0.13 0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.32 2rfr s HIS 101 Cb -0.04 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 2rfr s HIS 101 CO 0.05 0.40 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.76 2rfr s SER 102 N -3.30 0.51 -0.08 1.40 1.04 -0.26 -1.20 113.70 111.81 2rfr s SER 102 Ca 0.37 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.65 2rfr s SER 102 Cb -0.11 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2rfr s SER 102 CO 0.29 -0.02 -0.18 -0.69 0.98 0.00 0.00 173.24 173.62 2rfr s VAL 103 N -0.41 1.59 -0.43 5.02 1.01 -0.60 -0.59 120.40 126.00 2rfr s VAL 103 Ca -0.02 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 2rfr s VAL 103 Cb -0.04 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2rfr s VAL 103 CO -0.00 0.46 0.45 -0.69 0.00 0.00 0.00 175.10 175.32 2rfr s VAL 104 N 0.45 5.08 0.13 2.92 1.01 -0.31 -0.68 120.40 128.99 2rfr s VAL 104 Ca -0.15 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 2rfr s VAL 104 Cb -0.16 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 2rfr s VAL 104 CO 0.06 -0.46 0.74 -0.36 0.00 0.00 0.00 175.10 175.08 2rfr s PHE 105 N 2.16 3.86 -0.01 5.22 0.08 -0.12 -0.08 117.98 129.08 2rfr s PHE 105 Ca 0.12 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.74 2rfr s PHE 105 Cb -0.18 -2.73 -0.00 0.00 -0.57 0.00 0.00 43.02 39.54 2rfr s PHE 105 CO 0.13 0.49 -0.07 0.50 -0.10 0.00 0.00 175.22 176.17 2rfr s ARG 106 N -0.96 0.67 -0.19 0.44 3.52 -0.24 -1.48 118.95 120.70 2rfr s ARG 106 Ca 0.35 -0.24 -0.22 0.00 -0.13 0.00 0.00 55.73 55.49 2rfr s ARG 106 Cb -0.22 -0.65 -0.02 0.00 -1.56 0.00 0.00 34.95 32.49 2rfr s ARG 106 CO 0.25 0.12 0.67 0.00 -0.81 0.00 0.00 175.30 175.53 2rfr s VAL 108 N 1.99 1.03 -1.52 0.00 1.01 0.19 -4.60 120.40 118.50 2rfr s VAL 108 Ca 0.31 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 2rfr s VAL 108 Cb -0.16 -1.01 0.08 0.00 0.00 0.00 0.00 36.38 35.29 2rfr s VAL 108 CO 0.11 0.35 0.91 -1.20 0.00 0.00 0.00 175.10 175.28 2rfr n SER 109 N 4.49 -4.09 0.00 3.32 7.64 -1.26 -1.68 113.62 122.04 2rfr n SER 109 Ca -0.17 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2rfr n SER 109 Cb 0.51 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.93 2rfr n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rfr n GLY 110 N -1.67 0.42 3.35 0.23 0.00 -1.26 -5.01 105.19 101.25 2rfr n GLY 110 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2rfr n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rfr s THR 111 N -1.90 1.21 -0.01 2.61 -4.23 -0.68 -5.13 115.64 107.51 2rfr s THR 111 Ca 0.00 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2rfr s THR 111 Cb 0.00 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 2rfr s THR 111 CO 0.00 -0.36 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.28 2rfr s PHE 112 N -3.30 2.85 0.19 3.99 0.08 -1.26 -0.64 117.98 119.89 2rfr s PHE 112 Ca 0.28 -0.06 -0.08 0.00 0.12 0.00 0.00 56.93 57.19 2rfr s PHE 112 Cb 0.05 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 2rfr s PHE 112 CO 0.09 0.34 0.29 0.20 -0.10 0.00 0.00 175.22 176.04 2rfr s GLY 113 N -1.29 0.73 -0.62 4.36 0.00 -0.64 -4.98 107.32 104.87 2rfr s GLY 113 Ca 0.16 -1.09 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 2rfr s GLY 113 CO 0.06 -0.93 0.78 -1.35 0.00 0.00 0.00 173.10 171.66 2rfr s SER 114 N -3.03 6.19 0.11 1.64 1.04 -1.26 -1.08 113.70 117.31 2rfr s SER 114 Ca 0.24 -1.34 -0.14 0.00 0.48 0.00 0.00 55.95 55.19 2rfr s SER 114 Cb 0.03 -2.33 -0.07 0.00 0.10 0.00 0.00 66.02 63.75 2rfr s SER 114 CO 0.05 -1.20 1.45 -0.74 0.98 0.00 0.00 173.24 173.79 2rfr h HIS 115 N 9.27 0.86 -3.92 5.02 6.17 -0.82 -3.45 115.15 128.28 2rfr h HIS 115 Ca -0.28 -0.24 -0.19 0.00 0.71 0.00 0.00 60.37 60.37 2rfr h HIS 115 Cb 1.08 -0.19 -0.23 0.00 2.52 0.00 0.00 27.41 30.59 2rfr h HIS 115 CO 0.88 0.98 -0.71 1.03 0.71 0.00 0.00 177.93 180.82 2rfr s ARG 116 N -4.48 0.25 -0.08 5.26 0.52 -1.16 -4.99 118.95 114.27 2rfr s ARG 116 Ca -0.12 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 2rfr s ARG 116 Cb 0.09 0.06 0.02 0.00 0.52 0.00 0.00 34.95 35.65 2rfr s ARG 116 CO 0.83 -0.03 -0.06 0.08 0.02 0.00 0.00 175.30 176.13 2rfr s VAL 117 N -1.10 0.81 0.04 3.52 1.01 -1.26 -1.16 120.40 122.26 2rfr s VAL 117 Ca -0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 2rfr s VAL 117 Cb -0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2rfr s VAL 117 CO -0.01 0.31 -0.03 -0.44 0.00 0.00 0.00 175.10 174.93 2rfr s SER 118 N 1.36 0.44 0.23 3.32 0.01 0.24 -0.89 113.70 118.40 2rfr s SER 118 Ca -0.03 -0.76 -0.10 0.00 1.31 0.00 0.00 55.95 56.38 2rfr s SER 118 Cb -0.14 0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.16 2rfr s SER 118 CO -0.03 -0.44 0.55 0.00 0.41 0.00 0.00 173.24 173.72 2rfr s ALA 119 N -2.70 3.57 -0.02 1.44 0.00 -0.20 -1.10 121.76 122.74 2rfr s ALA 119 Ca -0.04 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2rfr s ALA 119 Cb -0.01 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2rfr s ALA 119 CO -0.05 0.51 -0.08 -0.80 0.00 0.00 0.00 175.76 175.34 2rfr s ASN 120 N -2.36 1.06 -0.10 0.00 -0.87 0.04 -2.19 114.94 110.52 2rfr s ASN 120 Ca 0.47 -0.16 0.02 0.00 -1.57 0.00 0.00 52.86 51.62 2rfr s ASN 120 Cb -0.11 -0.25 0.01 0.00 -0.02 0.00 0.00 41.25 40.88 2rfr s ASN 120 CO 0.21 0.07 -0.17 -0.60 -2.57 0.00 0.00 177.10 174.03 2rfr s ARG 121 N 0.12 2.39 0.02 -0.60 3.52 -0.37 -2.26 118.95 121.77 2rfr s ARG 121 Ca -0.02 -0.64 0.08 0.00 -0.13 0.00 0.00 55.73 55.03 2rfr s ARG 121 Cb -0.07 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.35 2rfr s ARG 121 CO 0.00 0.02 -0.23 -1.58 -0.81 0.00 0.00 175.30 172.70 2rfr s TRP 122 N 0.75 2.41 0.15 5.12 0.52 0.07 -0.85 118.94 127.10 2rfr s TRP 122 Ca -0.11 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 55.75 2rfr s TRP 122 Cb -0.16 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 2rfr s TRP 122 CO 0.02 0.11 -0.21 0.95 0.02 0.00 0.00 176.95 177.84 2rfr s THR 123 N -0.77 2.61 0.07 2.01 -4.23 0.12 -0.77 115.64 114.68 2rfr s THR 123 Ca 0.12 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2rfr s THR 123 Cb -0.10 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2rfr s THR 123 CO 0.02 0.01 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.73 2rfr s PHE 124 N -1.34 0.64 0.03 3.99 0.40 -0.05 -0.30 117.98 121.36 2rfr s PHE 124 Ca 0.19 -1.07 -0.05 0.00 -0.60 0.00 0.00 56.93 55.39 2rfr s PHE 124 Cb -0.09 -0.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.99 2rfr s PHE 124 CO 0.10 -0.36 0.09 -0.98 0.70 0.00 0.00 175.22 174.77 2rfr s ARG 125 N -3.92 0.55 -0.08 0.44 1.70 -0.27 -1.99 118.95 115.37 2rfr s ARG 125 Ca 0.11 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 2rfr s ARG 125 Cb 0.07 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 2rfr s ARG 125 CO -0.07 -0.13 1.05 0.50 -1.08 0.00 0.00 175.30 175.57 2rfr s ARG 126 N -2.33 4.41 0.41 3.89 3.52 -0.05 -1.61 118.95 127.18 2rfr s ARG 126 Ca -0.07 1.47 0.07 0.00 -0.13 0.00 0.00 55.73 57.07 2rfr s ARG 126 Cb -0.03 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 2rfr s ARG 126 CO -0.03 -0.33 0.12 0.95 -0.81 0.00 0.00 175.30 175.19 2rfr s THR 127 N 1.99 2.23 0.64 4.11 -4.23 -0.52 -4.95 115.64 114.92 2rfr s THR 127 Ca 0.50 -1.81 0.40 0.00 -1.18 0.00 0.00 61.69 59.60 2rfr s THR 127 Cb -0.20 -2.99 0.42 0.00 1.34 0.00 0.00 72.50 71.07 2rfr s THR 127 CO 0.20 -0.01 2.34 -0.65 -0.54 0.00 0.00 174.62 175.95 2rfr h PRO 128 N 1.56 0.00 -0.66 3.99 0.11 -2.02 -1.13 132.00 133.86 2rfr h PRO 128 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2rfr h PRO 128 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2rfr h PRO 128 CO 0.73 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 2rfr n ALA 129 N -2.17 2.39 0.00 -0.75 0.00 -1.26 -5.06 120.51 113.66 2rfr n ALA 129 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2rfr n ALA 129 Cb 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2rfr n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rfr n GLY 130 N 1.62 1.07 3.77 0.00 0.00 -0.43 -5.03 105.19 106.20 2rfr n GLY 130 Ca 0.23 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 2rfr n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rfr s TRP 131 N -1.17 2.88 0.02 1.61 0.52 -1.26 -1.43 118.94 120.11 2rfr s TRP 131 Ca 0.00 1.36 -0.00 0.00 0.02 0.00 0.00 56.10 57.47 2rfr s TRP 131 Cb 0.00 -3.76 -0.02 0.00 -1.15 0.00 0.00 33.47 28.54 2rfr s TRP 131 CO 0.00 -2.18 -0.02 1.03 0.02 0.00 0.00 176.95 175.79 2rfr s ARG 132 N -1.97 0.35 0.38 4.98 1.81 -0.64 -4.91 118.95 118.96 2rfr s ARG 132 Ca 0.52 -0.68 -0.26 0.00 -1.72 0.00 0.00 55.73 53.59 2rfr s ARG 132 Cb -0.41 0.13 -0.09 0.00 -0.45 0.00 0.00 34.95 34.13 2rfr s ARG 132 CO 0.54 -0.06 1.22 0.00 -0.68 0.00 0.00 175.30 176.32 2rfr s ALA 133 N -1.77 3.24 -0.16 2.13 0.00 0.29 -1.11 121.76 124.39 2rfr s ALA 133 Ca -0.13 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2rfr s ALA 133 Cb -0.08 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 2rfr s ALA 133 CO -0.02 -0.60 -0.26 0.28 0.00 0.00 0.00 175.76 175.15 2rfr n VAL 134 N 0.26 1.29 -3.88 0.00 0.31 0.59 -0.83 118.33 116.08 2rfr n VAL 134 Ca 0.03 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2rfr n VAL 134 Cb 0.45 -1.98 -0.14 0.00 -0.91 0.00 0.00 33.84 31.26 2rfr n VAL 134 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2rfr s ARG 135 N -2.54 0.03 -0.05 5.55 3.52 -1.20 -1.16 118.95 123.11 2rfr s ARG 135 Ca -0.25 0.01 0.06 0.00 -0.13 0.00 0.00 55.73 55.42 2rfr s ARG 135 Cb 0.07 -0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.37 2rfr s ARG 135 CO 0.34 -0.02 -0.25 0.50 -0.81 0.00 0.00 175.30 175.07 2rfr s ARG 136 N 0.16 2.49 -0.07 5.12 3.52 -0.34 -0.70 118.95 129.13 2rfr s ARG 136 Ca -0.01 -0.89 0.03 0.00 -0.13 0.00 0.00 55.73 54.73 2rfr s ARG 136 Cb -0.02 -2.12 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 2rfr s ARG 136 CO -0.00 0.38 -0.18 -1.21 -0.81 0.00 0.00 175.30 173.48 2rfr s GLU 137 N -0.17 2.23 0.20 5.12 2.02 -0.03 -0.81 118.70 127.25 2rfr s GLU 137 Ca -0.03 -0.63 0.10 0.00 0.02 0.00 0.00 54.97 54.43 2rfr s GLU 137 Cb -0.13 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 2rfr s GLU 137 CO 0.03 0.13 -0.19 -0.80 0.02 0.00 0.00 175.26 174.46 2rfr s ASN 138 N 0.41 2.98 -0.05 -0.19 -0.87 -0.30 -1.24 114.94 115.69 2rfr s ASN 138 Ca -0.14 -0.93 -0.29 0.00 -1.57 0.00 0.00 52.86 49.93 2rfr s ASN 138 Cb -0.16 -0.20 0.06 0.00 -0.02 0.00 0.00 41.25 40.93 2rfr s ASN 138 CO 0.05 -0.02 0.63 0.00 -2.57 0.00 0.00 177.10 175.19 2rfr s ALA 139 N -2.29 -1.63 0.31 0.60 0.00 -0.93 -2.49 121.76 115.34 2rfr s ALA 139 Ca 0.21 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 2rfr s ALA 139 Cb -0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 2rfr s ALA 139 CO 0.09 -0.35 1.19 -0.51 0.00 0.00 0.00 175.76 176.18 2rfr s LEU 140 N -1.19 4.48 -1.30 0.00 1.43 -1.26 -1.03 118.68 119.80 2rfr s LEU 140 Ca -0.11 2.46 -0.09 0.00 -1.03 0.00 0.00 54.13 55.36 2rfr s LEU 140 Cb -0.01 -3.66 0.15 0.00 0.03 0.00 0.00 46.19 42.70 2rfr s LEU 140 CO 0.09 -0.34 2.03 0.18 0.23 0.00 0.00 176.35 178.54 2rfr n LEU 141 N 0.96 7.03 -0.44 1.79 4.77 -0.07 -4.25 117.00 126.79 2rfr n LEU 141 Ca -0.00 -4.68 0.07 0.00 -0.03 0.00 0.00 56.01 51.36 2rfr n LEU 141 Cb 0.44 -1.46 0.15 0.00 -2.33 0.00 0.00 43.42 40.22 2rfr n LEU 141 CO 0.56 1.55 0.61 -0.90 -1.33 0.00 0.00 177.39 177.88 2rfr n ASP 142 N 3.42 2.88 0.00 -1.43 5.75 -1.26 -4.92 116.55 120.99 2rfr n ASP 142 Ca 0.46 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 2rfr n ASP 142 Cb 0.33 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2rfr n ASP 142 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rfr n GLY 143 N -0.52 0.83 3.66 6.12 0.00 -1.26 -5.07 105.19 108.94 2rfr n GLY 143 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2rfr n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rfr n SER 144 N 0.00 1.86 -0.08 1.61 3.41 -1.26 -4.91 113.62 114.25 2rfr n SER 144 Ca 0.00 1.05 -0.06 0.00 -0.26 0.00 0.00 58.87 59.59 2rfr n SER 144 Cb 0.00 -1.43 0.12 0.00 -0.26 0.00 0.00 64.21 62.64 2rfr n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rfr h ALA 145 N 1.68 0.96 -0.65 7.33 0.00 -1.98 -3.22 119.26 123.39 2rfr h ALA 145 Ca -0.47 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 2rfr h ALA 145 Cb 1.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2rfr h ALA 145 CO 0.58 0.61 0.26 0.00 0.00 0.00 0.00 179.25 180.69 2rfr h ALA 146 N 1.15 1.24 -0.42 0.00 0.00 -1.92 -2.05 119.26 117.25 2rfr h ALA 146 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2rfr h ALA 146 Cb 0.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2rfr h ALA 146 CO 0.05 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.91 2rfr h ALA 147 N 1.35 0.56 -0.91 0.00 0.00 -1.78 -1.09 119.26 117.39 2rfr h ALA 147 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rfr h ALA 147 Cb 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2rfr h ALA 147 CO -0.02 0.29 0.52 0.00 0.00 0.00 0.00 179.25 180.04 2rfr h ARG 148 N 0.55 1.25 -0.25 0.00 3.08 -1.56 -2.90 114.38 114.55 2rfr h ARG 148 Ca 0.12 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2rfr h ARG 148 Cb 0.40 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2rfr h ARG 148 CO 0.01 0.89 -0.13 0.00 -1.07 0.00 0.00 179.97 179.67 2rfr h ALA 149 N 1.31 1.31 -0.58 0.04 0.00 -1.00 -2.32 119.26 118.02 2rfr h ALA 149 Ca 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2rfr h ALA 149 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2rfr h ALA 149 CO -0.06 0.46 0.29 -0.07 0.00 0.00 0.00 179.25 179.87 2rfr h LEU 150 N 0.39 0.73 -0.10 0.00 3.38 -1.00 -2.82 115.31 115.89 2rfr h LEU 150 Ca 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2rfr h LEU 150 Cb 0.47 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2rfr h LEU 150 CO 0.03 0.61 -0.14 -0.07 0.09 0.00 0.00 178.44 178.96 2rfr h LEU 151 N 0.81 0.00-10.10 1.67 3.38 -1.35 -3.41 115.31 106.32 2rfr h LEU 151 Ca 0.20 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.69 2rfr h LEU 151 Cb 0.07 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.86 2rfr h LEU 151 CO -0.03 0.14 0.39 0.00 0.09 0.00 0.00 178.44 179.03 2rfr s GLN 152 N -3.18 3.63 0.00 1.13 -2.07 -0.95 -5.04 119.66 113.18 2rfr s GLN 152 Ca 0.06 1.37 0.27 0.00 -1.82 0.00 0.00 55.36 55.24 2rfr s GLN 152 Cb 0.06 -2.07 0.84 0.00 -1.09 0.00 0.00 33.01 30.76 2rfr s GLN 152 CO 0.68 -0.58 1.63 1.97 -1.32 0.00 0.00 175.29 177.68