#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwp h GLU 3 N 0.00 -0.00 -0.73 0.00 3.07 -1.96 0.26 114.58 115.22 1wwp h GLU 3 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1wwp h GLU 3 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1wwp h GLU 3 CO 0.00 -0.00 0.25 -0.22 -1.40 0.00 0.00 179.01 177.63 1wwp h LYS 4 N -0.00 1.11 -0.56 2.33 3.11 -2.03 -1.76 116.57 118.77 1wwp h LYS 4 Ca 0.32 -0.22 -0.10 0.00 -2.81 0.00 0.00 60.65 57.83 1wwp h LYS 4 Cb 0.57 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 1wwp h LYS 4 CO -0.98 0.93 -0.05 0.00 -2.81 0.00 0.00 179.45 176.54 1wwp h ALA 5 N 1.19 0.85 0.00 5.00 0.00 -1.60 -2.23 119.26 122.47 1wwp h ALA 5 Ca 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wwp h ALA 5 Cb 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wwp h ALA 5 CO -0.01 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 181.13 1wwp h LEU 6 N 0.91 0.00 -0.26 0.00 5.85 0.18 -2.47 115.31 119.53 1wwp h LEU 6 Ca 0.15 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.68 1wwp h LEU 6 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1wwp h LEU 6 CO 0.04 0.02 -0.59 0.00 -0.34 0.00 0.00 178.44 177.57 1wwp h ALA 7 N 1.98 0.42 -0.11 1.25 0.00 -0.71 -2.34 119.26 119.74 1wwp h ALA 7 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 1wwp h ALA 7 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wwp h ALA 7 CO 0.00 0.66 -0.47 1.79 0.00 0.00 0.00 179.25 181.23 1wwp h THR 8 N 0.62 1.33 -0.07 0.00 1.35 -1.40 -2.90 112.91 111.85 1wwp h THR 8 Ca -0.00 -1.67 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 1wwp h THR 8 Cb 1.20 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1wwp h THR 8 CO 0.13 0.50 0.00 0.25 -0.25 0.00 0.00 175.52 176.15 1wwp h LEU 9 N 0.23 0.11 -2.25 3.87 5.85 -1.42 -2.96 115.31 118.74 1wwp h LEU 9 Ca 0.01 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1wwp h LEU 9 Cb 0.92 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1wwp h LEU 9 CO 0.07 0.38 0.13 0.11 -0.34 0.00 0.00 178.44 178.79 1wwp h LYS 10 N -0.15 0.00 -0.46 1.25 1.57 -1.33 0.25 116.57 117.71 1wwp h LYS 10 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1wwp h LYS 10 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1wwp h LYS 10 CO 0.00 0.00 0.30 0.93 -0.57 0.00 0.00 179.45 180.12 1wwp h GLU 11 N 0.00 0.42 0.00 3.15 5.08 -1.33 -3.29 114.58 118.61 1wwp h GLU 11 Ca 0.06 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1wwp h GLU 11 Cb 0.31 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wwp h GLU 11 CO -0.00 0.28 -1.40 1.28 -1.00 0.00 0.00 179.01 178.17 1wwp n LEU 12 N -4.48 0.00 0.31 1.33 4.77 -0.17 -4.68 117.00 114.09 1wwp n LEU 12 Ca 0.05 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1wwp n LEU 12 Cb 0.20 0.11 1.01 0.00 -2.33 0.00 0.00 43.42 42.42 1wwp n LEU 12 CO 0.35 0.11 1.13 0.00 -1.33 0.00 0.00 177.39 177.65 1wwp h ALA 13 N 0.40 1.26 -0.54 -1.18 0.00 -0.65 -2.44 119.26 116.11 1wwp h ALA 13 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wwp h ALA 13 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wwp h ALA 13 CO 0.01 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.47 1wwp n PHE 14 N -3.48 1.80 -2.67 0.00 3.72 -1.25 -4.13 117.46 111.45 1wwp n PHE 14 Ca -0.03 -0.73 -0.42 0.00 -0.05 0.00 0.00 57.45 56.22 1wwp n PHE 14 Cb 0.11 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.18 1wwp n PHE 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wwp s LEU 15 N -2.62 4.28 0.05 4.37 1.43 -0.92 -4.96 118.68 120.30 1wwp s LEU 15 Ca 0.52 1.59 -0.25 0.00 -1.03 0.00 0.00 54.13 54.96 1wwp s LEU 15 Cb 0.39 -3.56 -0.17 0.00 0.03 0.00 0.00 46.19 42.88 1wwp s LEU 15 CO 0.16 -0.42 1.54 -0.08 0.23 0.00 0.00 176.35 177.78 1wwp h GLU 16 N 7.06 -0.10 -2.69 1.70 4.81 -1.92 -3.38 114.58 120.06 1wwp h GLU 16 Ca -0.33 0.01 -0.60 0.00 -0.13 0.00 0.00 59.36 58.30 1wwp h GLU 16 Cb 1.16 0.02 -0.40 0.00 0.63 0.00 0.00 28.75 30.17 1wwp h GLU 16 CO 0.83 0.10 -0.81 0.34 -0.73 0.00 0.00 179.01 178.74 1wwp s ASP 17 N -5.27 2.87 0.57 1.04 3.68 -1.26 -5.12 116.67 113.17 1wwp s ASP 17 Ca -0.14 -3.22 -0.17 0.00 2.13 0.00 0.00 52.55 51.14 1wwp s ASP 17 Cb 0.04 -0.90 -0.05 0.00 -1.45 0.00 0.00 42.92 40.57 1wwp s ASP 17 CO 0.65 -0.16 1.07 -2.16 0.13 0.00 0.00 175.17 174.70 1wwp s PRO 18 N -0.34 3.36 0.80 4.34 0.04 -1.26 -5.05 135.00 136.88 1wwp s PRO 18 Ca 0.28 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1wwp s PRO 18 Cb -0.04 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1wwp s PRO 18 CO -0.15 -0.79 1.16 -1.54 0.04 0.00 0.00 177.00 175.72 1wwp s SER 19 N -2.40 4.60 0.44 6.66 1.04 -1.26 -4.82 113.70 117.96 1wwp s SER 19 Ca 0.66 0.79 0.11 0.00 0.48 0.00 0.00 55.95 58.00 1wwp s SER 19 Cb -0.18 -1.32 0.98 0.00 0.10 0.00 0.00 66.02 65.61 1wwp s SER 19 CO 0.32 -1.84 2.05 -0.65 0.98 0.00 0.00 173.24 174.09 1wwp h PRO 20 N -1.00 0.24 0.05 4.02 0.11 -1.99 -1.54 132.00 131.89 1wwp h PRO 20 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wwp h PRO 20 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wwp h PRO 20 CO 0.66 0.23 -0.02 0.28 -0.21 0.00 0.00 178.00 178.94 1wwp h VAL 21 N 0.24 1.19 -0.81 3.15 2.07 -2.00 -1.82 116.25 118.28 1wwp h VAL 21 Ca 0.06 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1wwp h VAL 21 Cb 0.10 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1wwp h VAL 21 CO -0.00 0.20 0.53 -0.33 0.02 0.00 0.00 177.57 177.98 1wwp h GLU 22 N -0.41 1.02 -0.07 1.57 5.08 -1.86 -1.18 114.58 118.73 1wwp h GLU 22 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1wwp h GLU 22 Cb 0.37 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1wwp h GLU 22 CO 0.01 0.67 0.04 -0.09 -1.00 0.00 0.00 179.01 178.64 1wwp h ARG 23 N 1.05 0.10 -0.98 2.33 2.43 -1.27 0.70 114.38 118.74 1wwp h ARG 23 Ca 0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1wwp h ARG 23 Cb -0.05 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 1wwp h ARG 23 CO -0.09 0.14 0.63 -0.44 -1.51 0.00 0.00 179.97 178.69 1wwp h ASP 24 N 0.03 1.15 -0.65 -3.80 3.45 -1.04 -1.32 116.42 114.25 1wwp h ASP 24 Ca 0.03 -0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.38 1wwp h ASP 24 Cb 0.07 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 38.52 1wwp h ASP 24 CO -0.00 0.85 0.19 0.00 -1.57 0.00 0.00 179.24 178.71 1wwp h ALA 25 N 1.35 1.08 -0.29 3.45 0.00 -0.94 -1.39 119.26 122.52 1wwp h ALA 25 Ca 0.36 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1wwp h ALA 25 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1wwp h ALA 25 CO -0.07 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 179.62 1wwp h ALA 26 N 1.22 1.16 -0.35 0.00 0.00 -0.12 -1.31 119.26 119.86 1wwp h ALA 26 Ca 0.22 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1wwp h ALA 26 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wwp h ALA 26 CO -0.01 0.53 -0.26 0.82 0.00 0.00 0.00 179.25 180.34 1wwp h ILE 27 N 0.47 1.29 -0.44 0.00 2.04 -0.72 -0.66 117.51 119.48 1wwp h ILE 27 Ca 0.08 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1wwp h ILE 27 Cb 0.57 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1wwp h ILE 27 CO 0.04 0.46 0.25 -0.61 0.00 0.00 0.00 178.15 178.29 1wwp h GLN 28 N 0.57 0.61 -0.37 2.37 5.75 -1.02 -1.70 115.11 121.32 1wwp h GLN 28 Ca 0.07 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1wwp h GLN 28 Cb 0.82 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 1wwp h GLN 28 CO 0.07 0.47 -0.15 0.00 -2.65 0.00 0.00 178.83 176.57 1wwp h ARG 29 N 0.58 0.67 -0.85 1.69 3.08 -1.13 -1.90 114.38 116.52 1wwp h ARG 29 Ca 0.16 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1wwp h ARG 29 Cb 0.03 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1wwp h ARG 29 CO -0.03 0.79 0.56 0.35 -1.07 0.00 0.00 179.97 180.58 1wwp h PHE 30 N 0.61 1.07 0.56 3.04 3.57 -0.79 -0.64 116.94 124.37 1wwp h PHE 30 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1wwp h PHE 30 Cb 0.60 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1wwp h PHE 30 CO 0.03 0.66 -0.48 0.93 -2.23 0.00 0.00 178.31 177.22 1wwp h GLU 31 N 1.15 -0.99 0.00 1.11 5.08 -0.52 0.19 114.58 120.60 1wwp h GLU 31 Ca 0.32 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1wwp h GLU 31 Cb -0.12 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1wwp h GLU 31 CO -0.07 -0.66 -0.03 0.10 -1.00 0.00 0.00 179.01 177.34 1wwp h TYR 32 N -1.03 0.00 -0.02 4.33 -0.00 -1.39 -1.92 116.97 116.95 1wwp h TYR 32 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.41 1wwp h TYR 32 Cb 0.87 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.62 1wwp h TYR 32 CO -0.21 0.03 -0.99 1.15 -0.00 0.00 0.00 178.16 178.14 1wwp h THR 33 N 0.00 1.30 0.03 -0.90 2.02 -0.76 -2.59 112.91 112.01 1wwp h THR 33 Ca -0.00 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 64.93 1wwp h THR 33 Cb 0.53 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1wwp h THR 33 CO 0.00 0.69 -0.01 0.15 0.37 0.00 0.00 175.52 176.72 1wwp h PHE 34 N 0.38 -0.04 -0.67 3.16 3.04 -0.19 0.20 116.94 122.82 1wwp h PHE 34 Ca -0.11 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.88 1wwp h PHE 34 Cb 1.64 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 40.11 1wwp h PHE 34 CO 0.09 0.04 0.40 0.93 -2.02 0.00 0.00 178.31 177.75 1wwp h GLU 35 N -0.11 0.74 -0.12 1.11 4.39 -1.41 -0.20 114.58 118.98 1wwp h GLU 35 Ca -0.00 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1wwp h GLU 35 Cb 0.10 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1wwp h GLU 35 CO 0.01 0.49 -0.41 0.00 -1.16 0.00 0.00 179.01 177.94 1wwp h ALA 36 N 1.32 1.09 0.09 3.43 0.00 -1.30 -2.75 119.26 121.14 1wwp h ALA 36 Ca 0.29 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wwp h ALA 36 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wwp h ALA 36 CO -0.14 0.59 -0.04 0.35 0.00 0.00 0.00 179.25 180.00 1wwp h PHE 37 N 0.22 -0.12 0.00 0.00 3.57 0.74 -2.24 116.94 119.13 1wwp h PHE 37 Ca 0.02 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1wwp h PHE 37 Cb 0.82 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1wwp h PHE 37 CO 0.02 0.27 -0.34 0.11 -2.23 0.00 0.00 178.31 176.14 1wwp h TRP 38 N -0.53 0.00 -0.47 0.41 5.08 -1.13 -2.25 115.95 117.07 1wwp h TRP 38 Ca -0.01 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.85 1wwp h TRP 38 Cb 0.44 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.58 1wwp h TRP 38 CO 0.05 0.34 -0.14 0.87 -1.28 0.00 0.00 178.44 178.28 1wwp h LYS 39 N 0.00 0.88 -0.45 0.12 1.79 -1.49 0.11 116.57 117.52 1wwp h LYS 39 Ca -0.00 -0.32 -0.14 0.00 -2.18 0.00 0.00 60.65 58.01 1wwp h LYS 39 Cb 0.70 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1wwp h LYS 39 CO 0.04 0.96 -0.26 0.00 -1.08 0.00 0.00 179.45 179.11 1wwp h ALA 40 N 1.06 0.68 -0.39 3.86 0.00 -0.88 -1.52 119.26 122.07 1wwp h ALA 40 Ca 0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1wwp h ALA 40 Cb 0.66 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1wwp h ALA 40 CO 0.05 0.67 0.09 -0.07 0.00 0.00 0.00 179.25 180.00 1wwp h LEU 41 N 0.82 0.59 -0.25 0.00 3.38 -1.18 -0.89 115.31 117.78 1wwp h LEU 41 Ca 0.10 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1wwp h LEU 41 Cb 0.84 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1wwp h LEU 41 CO 0.07 0.67 0.02 -0.61 0.09 0.00 0.00 178.44 178.68 1wwp h GLN 42 N 0.48 0.10 -0.73 1.13 4.15 -0.59 0.11 115.11 119.77 1wwp h GLN 42 Ca 0.12 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1wwp h GLN 42 Cb 0.31 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1wwp h GLN 42 CO 0.00 0.07 0.24 0.00 -1.93 0.00 0.00 178.83 177.21 1wwp h ALA 43 N 1.20 1.04 -0.18 3.38 0.00 -1.21 -1.09 119.26 122.40 1wwp h ALA 43 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wwp h ALA 43 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wwp h ALA 43 CO -0.18 0.65 0.03 -0.92 0.00 0.00 0.00 179.25 178.84 1wwp h TYR 44 N 1.08 0.30 -0.69 0.00 3.20 -0.69 -0.06 116.97 120.11 1wwp h TYR 44 Ca 0.24 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1wwp h TYR 44 Cb 0.28 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1wwp h TYR 44 CO 0.02 0.43 0.38 -0.07 -1.64 0.00 0.00 178.16 177.29 1wwp h LEU 45 N 0.09 0.85 0.43 2.82 3.38 -0.60 0.13 115.31 122.41 1wwp h LEU 45 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1wwp h LEU 45 Cb 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1wwp h LEU 45 CO 0.00 0.68 -0.21 -0.09 0.09 0.00 0.00 178.44 178.92 1wwp h ARG 46 N 0.96 -0.56 -0.18 1.13 2.43 -0.93 0.14 114.38 117.37 1wwp h ARG 46 Ca 0.24 0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 1wwp h ARG 46 Cb 0.02 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1wwp h ARG 46 CO -0.04 -0.26 -0.62 0.93 -1.51 0.00 0.00 179.97 178.47 1wwp h GLU 47 N -0.86 0.74 0.00 0.20 5.08 -0.90 -2.46 114.58 116.38 1wwp h GLU 47 Ca -0.06 -0.55 -0.18 0.00 -1.00 0.00 0.00 59.36 57.57 1wwp h GLU 47 Cb 0.56 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1wwp h GLU 47 CO 0.10 1.17 -1.65 1.63 -1.00 0.00 0.00 179.01 179.26 1wwp n LYS 48 N -4.06 0.64 -0.02 2.33 4.76 0.45 -4.59 118.16 117.67 1wwp n LYS 48 Ca -0.07 0.12 0.01 0.00 -2.87 0.00 0.00 58.31 55.50 1wwp n LYS 48 Cb 0.66 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 32.07 1wwp n LYS 48 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wwp n GLU 49 N -2.77 1.38 -1.07 1.97 -0.58 -0.74 -5.00 120.64 113.83 1wwp n GLU 49 Ca -0.13 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1wwp n GLU 49 Cb 0.85 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 1wwp n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wwp n GLY 50 N 2.28 0.42 3.63 0.62 0.00 -0.07 -5.00 105.19 107.08 1wwp n GLY 50 Ca -0.06 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1wwp n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wwp s LEU 51 N 0.00 3.72 -0.21 0.99 1.43 -0.59 -4.96 118.68 119.07 1wwp s LEU 51 Ca 0.00 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1wwp s LEU 51 Cb 0.00 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1wwp s LEU 51 CO 0.00 0.21 -0.01 -1.61 0.23 0.00 0.00 176.35 175.17 1wwp s GLU 52 N 0.14 3.57 -0.02 1.70 0.41 -1.26 -2.65 118.70 120.58 1wwp s GLU 52 Ca 0.04 -0.54 0.06 0.00 -0.41 0.00 0.00 54.97 54.12 1wwp s GLU 52 Cb -0.12 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 29.14 1wwp s GLU 52 CO 0.01 -0.04 -0.21 0.20 -0.49 0.00 0.00 175.26 174.74 1wwp s GLY 53 N 1.12 1.04 -0.21 -1.39 0.00 -1.26 -5.01 107.32 101.61 1wwp s GLY 53 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 1wwp s GLY 53 CO 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 173.10 172.41 1wwp n ALA 54 N 2.67 1.23 -2.63 3.20 0.00 -1.26 -4.84 120.51 118.88 1wwp n ALA 54 Ca -0.16 -0.91 -0.23 0.00 0.00 0.00 0.00 53.44 52.14 1wwp n ALA 54 Cb 0.53 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 1wwp n ALA 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wwp s SER 55 N -6.72 4.91 0.22 0.00 1.04 -1.26 -4.99 113.70 106.91 1wwp s SER 55 Ca -0.30 -0.57 -0.08 0.00 0.48 0.00 0.00 55.95 55.48 1wwp s SER 55 Cb 0.08 -0.96 0.36 0.00 0.10 0.00 0.00 66.02 65.60 1wwp s SER 55 CO 0.66 -0.14 1.71 -0.65 0.98 0.00 0.00 173.24 175.80 1wwp h PRO 56 N 1.61 0.30 -0.51 4.02 0.11 -1.95 0.08 132.00 135.66 1wwp h PRO 56 Ca -0.45 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1wwp h PRO 56 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1wwp h PRO 56 CO 0.61 0.20 -0.11 0.87 -0.21 0.00 0.00 178.00 179.37 1wwp h LYS 57 N 0.31 0.94 -0.49 1.05 1.57 -1.97 -1.33 116.57 116.66 1wwp h LYS 57 Ca 0.35 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1wwp h LYS 57 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1wwp h LYS 57 CO -0.42 1.00 -0.16 0.78 -0.57 0.00 0.00 179.45 180.08 1wwp h GLY 58 N 0.96 1.03 1.10 3.86 0.00 -1.76 -1.60 103.07 106.66 1wwp h GLY 58 Ca 0.14 -0.86 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1wwp h GLY 58 CO 0.04 0.79 0.02 -2.08 0.00 0.00 0.00 176.54 175.31 1wwp h VAL 59 N 0.84 1.27 -0.62 4.60 2.07 -0.87 -1.60 116.25 121.92 1wwp h VAL 59 Ca 0.12 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1wwp h VAL 59 Cb 0.72 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1wwp h VAL 59 CO 0.06 0.42 0.18 0.40 0.02 0.00 0.00 177.57 178.64 1wwp h ILE 60 N 0.99 1.25 -0.90 4.57 2.04 -1.03 0.22 117.51 124.66 1wwp h ILE 60 Ca 0.18 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1wwp h ILE 60 Cb 0.54 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1wwp h ILE 60 CO 0.03 0.33 0.50 0.03 0.00 0.00 0.00 178.15 179.04 1wwp h ARG 61 N 0.90 1.26 -0.31 2.37 2.47 -1.01 0.10 114.38 120.17 1wwp h ARG 61 Ca 0.20 -0.14 -0.17 0.00 -1.26 0.00 0.00 59.98 58.60 1wwp h ARG 61 Cb 0.31 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1wwp h ARG 61 CO -0.00 0.91 -0.49 -0.07 0.56 0.00 0.00 179.97 180.88 1wwp h LEU 62 N 1.26 0.96 -1.12 3.04 3.38 -0.90 -1.60 115.31 120.34 1wwp h LEU 62 Ca 0.32 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1wwp h LEU 62 Cb 0.02 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 1wwp h LEU 62 CO -0.05 1.29 0.60 0.00 0.09 0.00 0.00 178.44 180.37 1wwp h ALA 63 N 0.70 1.44 -0.02 1.53 0.00 0.10 -1.39 119.26 121.62 1wwp h ALA 63 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wwp h ALA 63 Cb 1.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wwp h ALA 63 CO 0.11 0.45 0.00 -0.09 0.00 0.00 0.00 179.25 179.72 1wwp h ARG 64 N 1.12 0.03 -0.20 0.00 2.43 -0.56 0.31 114.38 117.51 1wwp h ARG 64 Ca 0.38 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1wwp h ARG 64 Cb 0.08 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1wwp h ARG 64 CO -0.12 0.31 -0.01 1.05 -1.51 0.00 0.00 179.97 179.68 1wwp h GLU 65 N -0.25 0.29 0.00 0.20 4.11 -0.92 -1.50 114.58 116.52 1wwp h GLU 65 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1wwp h GLU 65 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1wwp h GLU 65 CO 0.00 0.33 -0.00 1.55 0.07 0.00 0.00 179.01 180.96 1wwp n VAL 66 N -4.36 0.25 -0.00 -1.06 3.14 -0.56 -4.91 118.33 110.83 1wwp n VAL 66 Ca -0.00 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1wwp n VAL 66 Cb 0.19 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 1wwp n VAL 66 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wwp n GLY 67 N 1.42 0.18 0.30 7.55 0.00 -0.57 -4.94 105.19 109.15 1wwp n GLY 67 Ca 0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.26 1wwp n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wwp h LEU 68 N 0.00 0.00 -7.78 0.99 4.07 -1.17 -3.39 115.31 108.03 1wwp h LEU 68 Ca 0.00 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.50 1wwp h LEU 68 Cb 0.00 0.00 -0.35 0.00 1.08 0.00 0.00 40.66 41.39 1wwp h LEU 68 CO 0.00 0.02 -0.79 -0.76 -1.08 0.00 0.00 178.44 175.83 1wwp s LEU 69 N -7.08 1.32 0.76 1.67 1.43 -1.07 -4.95 118.68 110.77 1wwp s LEU 69 Ca -0.04 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1wwp s LEU 69 Cb 0.14 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 45.79 1wwp s LEU 69 CO 0.51 -0.05 1.08 -0.13 0.23 0.00 0.00 176.35 177.99 1wwp s ARG 70 N 1.08 2.34 0.26 1.70 1.81 -1.26 -4.38 118.95 120.49 1wwp s ARG 70 Ca -0.08 1.04 -0.01 0.00 -1.72 0.00 0.00 55.73 54.96 1wwp s ARG 70 Cb -0.14 -1.92 0.53 0.00 -0.45 0.00 0.00 34.95 32.97 1wwp s ARG 70 CO -0.01 -1.55 1.76 -0.44 -0.68 0.00 0.00 175.30 174.38 1wwp h ASP 71 N -1.05 0.50 -0.59 0.23 3.45 -1.97 0.12 116.42 117.10 1wwp h ASP 71 Ca -0.44 0.09 -0.05 0.00 0.43 0.00 0.00 57.03 57.06 1wwp h ASP 71 Cb 1.23 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 1wwp h ASP 71 CO 0.54 0.21 0.17 -0.08 -1.57 0.00 0.00 179.24 178.51 1wwp h GLU 72 N 0.60 0.92 -0.32 3.56 4.81 -2.00 -1.38 114.58 120.77 1wwp h GLU 72 Ca 0.46 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1wwp h GLU 72 Cb 0.66 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1wwp h GLU 72 CO -0.37 0.83 0.14 0.93 -0.73 0.00 0.00 179.01 179.81 1wwp h GLU 73 N 0.83 0.48 -0.26 1.92 5.08 -1.61 -2.04 114.58 118.98 1wwp h GLU 73 Ca 0.19 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1wwp h GLU 73 Cb 0.30 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1wwp h GLU 73 CO -0.00 0.47 -0.23 0.00 -1.00 0.00 0.00 179.01 178.25 1wwp h ALA 74 N 0.98 -0.09 -0.99 3.43 0.00 -0.45 0.16 119.26 122.31 1wwp h ALA 74 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1wwp h ALA 74 Cb 0.16 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1wwp h ALA 74 CO -0.01 -0.65 0.66 0.00 0.00 0.00 0.00 179.25 179.25 1wwp h ARG 75 N -0.22 1.29 -0.34 0.00 2.47 -1.10 0.71 114.38 117.18 1wwp h ARG 75 Ca 0.14 -0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.73 1wwp h ARG 75 Cb 0.45 -0.29 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1wwp h ARG 75 CO -0.39 0.86 -0.01 1.25 0.56 0.00 0.00 179.97 182.23 1wwp h LEU 76 N 1.33 0.50 -0.28 3.04 6.46 -0.55 -1.41 115.31 124.40 1wwp h LEU 76 Ca 0.37 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.99 1wwp h LEU 76 Cb -0.14 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.65 1wwp h LEU 76 CO -0.08 0.57 0.03 0.00 -0.62 0.00 0.00 178.44 178.34 1wwp h ALA 77 N 1.49 0.37 0.00 1.25 0.00 0.96 -2.76 119.26 120.57 1wwp h ALA 77 Ca 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wwp h ALA 77 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wwp h ALA 77 CO 0.01 0.07 -0.18 -0.07 0.00 0.00 0.00 179.25 179.08 1wwp h LEU 78 N 0.28 0.00 -2.72 0.00 3.38 -0.57 -1.84 115.31 113.84 1wwp h LEU 78 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wwp h LEU 78 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wwp h LEU 78 CO 0.01 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1wwp n GLY 79 N -0.97 1.60 0.76 0.83 0.00 -0.56 -2.42 105.19 104.42 1wwp n GLY 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1wwp n GLY 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wwp n VAL 81 N 1.21 0.00 -0.24 1.61 0.31 -0.69 -1.10 118.33 119.43 1wwp n VAL 81 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1wwp n VAL 81 Cb 0.33 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.30 1wwp n VAL 81 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1wwp h ASP 82 N 0.00 1.08 0.16 4.52 3.32 -1.77 -2.10 116.42 121.63 1wwp h ASP 82 Ca 0.00 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 1wwp h ASP 82 Cb 0.00 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1wwp h ASP 82 CO 0.00 1.07 -0.19 0.44 -1.72 0.00 0.00 179.24 178.84 1wwp h ASP 83 N 1.04 0.07 -0.15 6.45 3.45 -1.41 -1.30 116.42 124.58 1wwp h ASP 83 Ca 0.20 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.59 1wwp h ASP 83 Cb 0.46 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 1wwp h ASP 83 CO 0.02 0.28 -0.06 -0.09 -1.57 0.00 0.00 179.24 177.81 1wwp h ARG 84 N 0.07 0.44 0.00 3.56 9.65 -1.65 -1.05 114.38 125.41 1wwp h ARG 84 Ca 0.01 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1wwp h ARG 84 Cb 0.39 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1wwp h ARG 84 CO 0.03 0.52 0.00 -1.13 2.80 0.00 0.00 179.97 182.19 1wwp n SER 85 N -4.26 0.27 -0.00 -3.80 3.41 -0.51 -3.30 113.62 105.42 1wwp n SER 85 Ca 0.01 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 1wwp n SER 85 Cb 0.27 -0.60 -0.12 0.00 -0.26 0.00 0.00 64.21 63.49 1wwp n SER 85 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wwp n LEU 86 N -1.76 0.97 0.15 1.04 4.77 -0.44 -4.51 117.00 117.23 1wwp n LEU 86 Ca 0.06 -0.49 0.15 0.00 -0.03 0.00 0.00 56.01 55.69 1wwp n LEU 86 Cb 0.32 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.13 1wwp n LEU 86 CO 0.25 0.24 1.13 0.71 -1.33 0.00 0.00 177.39 178.40 1wwp h THR 87 N 0.00 0.75 0.00 -5.08 1.35 -1.44 -0.28 112.91 108.21 1wwp h THR 87 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wwp h THR 87 Cb 0.50 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1wwp h THR 87 CO 0.00 0.00 0.00 0.55 -0.25 0.00 0.00 175.52 175.82 1wwp n VAL 88 N -4.27 0.20 -1.03 6.82 3.14 -1.26 -2.66 118.33 119.27 1wwp n VAL 88 Ca 0.03 0.05 0.09 0.00 -2.96 0.00 0.00 64.34 61.55 1wwp n VAL 88 Cb 0.34 -0.64 0.21 0.00 -1.06 0.00 0.00 33.84 32.69 1wwp n VAL 88 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1wwp n HIS 89 N -1.29 0.53 0.75 1.45 -0.00 -0.12 -4.71 115.22 111.84 1wwp n HIS 89 Ca 0.12 -0.94 -0.02 0.00 -0.00 0.00 0.00 57.72 56.88 1wwp n HIS 89 Cb 0.20 -0.24 0.03 0.00 -0.00 0.00 0.00 29.99 29.97 1wwp n HIS 89 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1wwp n THR 90 N -0.93 1.07 0.23 1.59 -2.24 -1.09 -3.31 114.28 109.61 1wwp n THR 90 Ca 0.19 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1wwp n THR 90 Cb 0.78 -0.85 0.35 0.00 -2.10 0.00 0.00 70.33 68.51 1wwp n THR 90 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1wwp h TYR 91 N 0.18 0.00 -3.40 4.78 3.20 -1.86 -3.41 116.97 116.46 1wwp h TYR 91 Ca 0.06 0.00 -0.60 0.00 3.14 0.00 0.00 58.73 61.33 1wwp h TYR 91 Cb 1.11 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.28 1wwp h TYR 91 CO 0.17 0.04 0.43 -0.80 -1.64 0.00 0.00 178.16 176.36 1wwp s ASN 92 N -6.05 6.70 0.30 -2.11 0.01 -1.21 -4.94 114.94 107.65 1wwp s ASN 92 Ca 0.05 0.75 0.07 0.00 -0.71 0.00 0.00 52.86 53.01 1wwp s ASN 92 Cb 0.07 -2.42 0.81 0.00 0.41 0.00 0.00 41.25 40.12 1wwp s ASN 92 CO 0.63 -0.61 1.70 -0.33 -1.51 0.00 0.00 177.10 176.99 1wwp h GLU 93 N 8.03 0.43 0.06 -0.60 5.08 -1.94 -0.84 114.58 124.81 1wwp h GLU 93 Ca -0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1wwp h GLU 93 Cb 1.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1wwp h GLU 93 CO 0.89 0.28 -0.15 -1.35 -1.00 0.00 0.00 179.01 177.68 1wwp h PRO 94 N 0.44 -0.22 -0.20 2.33 0.11 -1.95 0.23 132.00 132.74 1wwp h PRO 94 Ca 0.60 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.76 1wwp h PRO 94 Cb 1.18 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1wwp h PRO 94 CO -0.53 -0.15 -0.53 1.25 -0.21 0.00 0.00 178.00 177.84 1wwp h LEU 95 N -0.23 -1.70 -0.78 2.35 6.46 -1.75 0.24 115.31 119.92 1wwp h LEU 95 Ca -0.01 0.21 0.18 0.00 -0.12 0.00 0.00 57.88 58.14 1wwp h LEU 95 Cb 0.22 0.67 -0.14 0.00 -0.73 0.00 0.00 40.66 40.69 1wwp h LEU 95 CO -0.07 -0.44 -0.02 0.00 -0.62 0.00 0.00 178.44 177.28 1wwp h ALA 96 N -0.28 0.77 -0.46 1.25 0.00 -1.07 0.65 119.26 120.12 1wwp h ALA 96 Ca 0.04 0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1wwp h ALA 96 Cb 0.63 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1wwp h ALA 96 CO -0.46 -0.43 -0.17 0.00 0.00 0.00 0.00 179.25 178.19 1wwp h ARG 97 N 0.08 0.89 -0.61 0.00 3.08 0.35 -1.28 114.38 116.88 1wwp h ARG 97 Ca 0.42 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1wwp h ARG 97 Cb 0.74 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1wwp h ARG 97 CO -0.70 0.99 0.02 0.00 -1.07 0.00 0.00 179.97 179.20 1wwp h ALA 98 N 1.02 0.88 -0.19 0.04 0.00 0.28 -1.82 119.26 119.47 1wwp h ALA 98 Ca 0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1wwp h ALA 98 Cb 0.71 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wwp h ALA 98 CO 0.05 0.66 -0.05 0.82 0.00 0.00 0.00 179.25 180.74 1wwp h ILE 99 N 0.97 1.29 -0.68 0.00 1.08 0.24 -3.02 117.51 117.38 1wwp h ILE 99 Ca 0.18 -1.03 0.11 0.00 -0.39 0.00 0.00 64.86 63.73 1wwp h ILE 99 Cb 0.53 1.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 1wwp h ILE 99 CO 0.03 0.31 0.45 0.15 -0.69 0.00 0.00 178.15 178.40 1wwp h PHE 100 N 0.09 0.50 0.00 1.37 3.57 -1.06 0.10 116.94 121.51 1wwp h PHE 100 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1wwp h PHE 100 Cb 0.50 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1wwp h PHE 100 CO 0.05 0.22 -0.10 0.00 -2.23 0.00 0.00 178.31 176.26 1wwp h ARG 101 N 0.46 0.00 0.00 1.11 3.08 -1.20 -2.76 114.38 115.07 1wwp h ARG 101 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1wwp h ARG 101 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1wwp h ARG 101 CO -0.10 0.10 -1.23 0.54 -1.07 0.00 0.00 179.97 178.20 1wwp n ARG 102 N -3.44 0.61 -0.35 0.04 1.74 -0.00 -4.39 116.66 110.87 1wwp n ARG 102 Ca -0.01 0.05 0.14 0.00 -0.77 0.00 0.00 57.85 57.25 1wwp n ARG 102 Cb 0.25 -1.76 0.34 0.00 -1.02 0.00 0.00 32.46 30.28 1wwp n ARG 102 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wwp h LEU 103 N 0.00 0.75 -0.30 0.55 3.38 -1.17 -2.37 115.31 116.15 1wwp h LEU 103 Ca 0.00 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1wwp h LEU 103 Cb 1.00 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1wwp h LEU 103 CO 0.00 0.25 -0.31 -0.65 0.09 0.00 0.00 178.44 177.82 1wwp h PRO 104 N 0.72 -0.28 -0.54 1.13 0.11 -1.76 0.18 132.00 131.56 1wwp h PRO 104 Ca 0.58 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.69 1wwp h PRO 104 Cb 0.96 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1wwp h PRO 104 CO -0.38 -0.18 0.24 -0.44 -0.21 0.00 0.00 178.00 177.02 1wwp h ASP 105 N -0.29 0.73 -0.50 -2.05 5.19 -1.74 -2.04 116.42 115.72 1wwp h ASP 105 Ca 0.15 -0.15 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1wwp h ASP 105 Cb 0.52 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 1wwp h ASP 105 CO -0.46 0.67 0.30 1.88 -3.12 0.00 0.00 179.24 178.52 1wwp h TYR 106 N 0.73 0.57 -0.35 4.55 0.05 -1.06 0.94 116.97 122.40 1wwp h TYR 106 Ca 0.18 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.01 1wwp h TYR 106 Cb 0.16 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1wwp h TYR 106 CO 0.00 0.33 0.14 0.00 -1.05 0.00 0.00 178.16 177.59 1wwp h ALA 107 N 1.21 0.42 -0.11 3.88 0.00 -0.44 -2.83 119.26 121.40 1wwp h ALA 107 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1wwp h ALA 107 Cb -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wwp h ALA 107 CO -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 179.25 178.95 1wwp h ARG 108 N 0.31 0.17 0.00 0.00 3.08 -0.90 -1.73 114.38 115.30 1wwp h ARG 108 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1wwp h ARG 108 Cb 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1wwp h ARG 108 CO -0.14 0.35 0.00 -0.11 -1.07 0.00 0.00 179.97 179.00 1wwp n LEU 109 N -4.87 0.00 0.00 3.04 0.00 0.28 -1.03 117.00 114.43 1wwp n LEU 109 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.95 1wwp n LEU 109 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.58 1wwp n LEU 109 CO 0.35 0.00 0.00 1.21 0.00 0.00 0.00 177.39 178.95 1wwp n GLU 111 N 0.22 0.00 -0.09 1.96 2.13 -0.65 -0.75 120.64 123.45 1wwp n GLU 111 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1wwp n GLU 111 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1wwp n GLU 111 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wwp h GLN 112 N 0.00 0.89 -0.12 5.31 4.20 -1.35 -2.60 115.11 121.45 1wwp h GLN 112 Ca 0.00 -0.53 -0.03 0.00 0.06 0.00 0.00 58.65 58.14 1wwp h GLN 112 Cb 0.00 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1wwp h GLN 112 CO 0.00 1.18 -0.05 0.28 -0.67 0.00 0.00 178.83 179.57 1wwp h VAL 113 N 0.70 1.31 -0.98 -0.54 2.07 -1.19 -2.90 116.25 114.72 1wwp h VAL 113 Ca 0.03 -1.04 0.13 0.00 0.82 0.00 0.00 66.70 66.64 1wwp h VAL 113 Cb 1.10 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 1wwp h VAL 113 CO 0.11 0.30 0.62 -0.07 0.02 0.00 0.00 177.57 178.55 1wwp h LEU 114 N -0.09 0.87 0.34 2.57 3.38 -1.80 -2.19 115.31 118.38 1wwp h LEU 114 Ca 0.03 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wwp h LEU 114 Cb 0.49 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1wwp h LEU 114 CO 0.02 0.46 -0.51 1.23 0.09 0.00 0.00 178.44 179.72 1wwp h GLY 115 N 0.93 -1.22 0.38 0.83 0.00 -1.27 -1.64 103.07 101.08 1wwp h GLY 115 Ca 0.49 0.61 0.23 0.00 0.00 0.00 0.00 47.33 48.66 1wwp h GLY 115 CO -0.25 -0.33 0.58 3.21 0.00 0.00 0.00 176.54 179.75 1wwp h ARG 116 N -0.89 0.00 0.00 4.80 3.08 -1.23 -1.55 114.38 118.60 1wwp h ARG 116 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1wwp h ARG 116 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1wwp h ARG 116 CO -0.16 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.02 1wwp n LEU 117 N -4.28 0.00 -0.48 3.04 4.77 -0.62 -4.06 117.00 115.37 1wwp n LEU 117 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1wwp n LEU 117 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1wwp n LEU 117 CO 0.38 0.00 0.02 0.54 -1.33 0.00 0.00 177.39 177.00 1wwp n ARG 118 N -0.97 0.09 0.00 3.23 1.74 -0.58 -5.11 116.66 115.06 1wwp n ARG 118 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1wwp n ARG 118 Cb 0.04 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1wwp n ARG 118 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98