#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n ILE 2 N 0.00 0.11 -3.57 2.02 2.08 -1.26 -5.00 119.36 113.74 2wwq n ILE 2 Ca 0.00 -0.40 -0.13 0.00 0.56 0.00 0.00 62.75 62.77 2wwq n ILE 2 Cb 0.00 0.05 -0.06 0.00 -0.75 0.00 0.00 39.64 38.88 2wwq n ILE 2 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wwq s ARG 3 N -3.05 0.78 0.92 0.38 3.03 -1.26 -5.17 118.95 114.57 2wwq s ARG 3 Ca -0.06 0.30 -0.14 0.00 2.03 0.00 0.00 55.73 57.86 2wwq s ARG 3 Cb 0.10 0.37 -0.00 0.00 -1.03 0.00 0.00 34.95 34.39 2wwq s ARG 3 CO 0.67 -0.22 0.25 0.39 -1.13 0.00 0.00 175.30 175.26 2wwq n GLU 4 N 1.10 -0.16 0.18 3.89 -0.58 -1.26 -4.88 120.64 118.92 2wwq n GLU 4 Ca -0.14 -0.01 0.14 0.00 -0.42 0.00 0.00 57.16 56.73 2wwq n GLU 4 Cb 0.57 -1.73 0.58 0.00 -0.57 0.00 0.00 31.44 30.29 2wwq n GLU 4 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2wwq h GLU 5 N -1.30 0.00 -0.49 3.49 9.09 -2.02 -2.30 114.58 121.05 2wwq h GLU 5 Ca -0.44 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.04 2wwq h GLU 5 Cb 1.30 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.37 2wwq h GLU 5 CO 0.34 0.00 0.33 0.00 0.05 0.00 0.00 179.01 179.73 2wwq h ARG 6 N 0.00 0.37 -1.29 1.06 3.08 -1.99 -1.90 114.38 113.71 2wwq h ARG 6 Ca 0.00 -0.02 -0.61 0.00 0.07 0.00 0.00 59.98 59.42 2wwq h ARG 6 Cb 0.37 -0.08 -0.39 0.00 0.08 0.00 0.00 29.97 29.94 2wwq h ARG 6 CO 0.00 0.25 -0.39 1.28 -1.07 0.00 0.00 179.97 180.04 2wwq n LEU 7 N -4.47 5.40 -0.63 3.04 7.99 -0.88 -3.60 117.00 123.85 2wwq n LEU 7 Ca 0.07 -4.94 0.02 0.00 -0.01 0.00 0.00 56.01 51.15 2wwq n LEU 7 Cb 0.27 -0.54 0.03 0.00 -0.11 0.00 0.00 43.42 43.07 2wwq n LEU 7 CO 0.34 2.07 0.26 0.18 -1.51 0.00 0.00 177.39 178.74 2wwq n LEU 8 N -0.60 0.61 -0.14 2.23 4.77 -0.74 -4.77 117.00 118.36 2wwq n LEU 8 Ca 0.45 -1.58 0.02 0.00 -0.03 0.00 0.00 56.01 54.86 2wwq n LEU 8 Cb 0.70 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 2wwq n LEU 8 CO 0.42 0.40 0.38 1.17 -1.33 0.00 0.00 177.39 178.43 2wwq n LYS 9 N -0.15 0.63 -0.03 3.23 4.81 -1.05 -4.75 118.16 120.87 2wwq n LYS 9 Ca 0.04 -1.01 -0.13 0.00 -0.87 0.00 0.00 58.31 56.34 2wwq n LYS 9 Cb 0.77 -1.06 -0.09 0.00 0.02 0.00 0.00 35.03 34.67 2wwq n LYS 9 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2wwq h VAL 10 N 0.58 1.38 -2.61 3.15 -1.51 -1.86 -3.40 116.25 111.98 2wwq h VAL 10 Ca 0.00 -1.20 -0.54 0.00 -1.23 0.00 0.00 66.70 63.73 2wwq h VAL 10 Cb 0.28 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2wwq h VAL 10 CO 0.00 0.32 1.08 -0.76 -1.23 0.00 0.00 177.57 176.98 2wwq s LEU 11 N -9.19 4.35 0.00 4.19 1.43 -1.26 -2.88 118.68 115.32 2wwq s LEU 11 Ca -0.15 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2wwq s LEU 11 Cb 0.03 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2wwq s LEU 11 CO 0.70 -0.93 0.00 0.54 0.23 0.00 0.00 176.35 176.89 2wwq n ARG 12 N 6.70 4.93 0.00 1.70 5.12 -1.25 -5.00 116.66 128.87 2wwq n ARG 12 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2wwq n ARG 12 Cb 0.42 -0.61 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 2wwq n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wwq n ALA 13 N -1.08 0.00 -2.68 7.54 0.00 -1.26 -5.11 120.51 117.93 2wwq n ALA 13 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2wwq n ALA 13 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2wwq n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wwq s PRO 14 N -2.00 4.30 -0.18 0.00 0.04 -1.26 -2.74 135.00 133.16 2wwq s PRO 14 Ca 0.00 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.51 2wwq s PRO 14 Cb 0.00 -3.41 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 2wwq s PRO 14 CO 0.00 0.23 -0.11 -1.58 0.04 0.00 0.00 177.00 175.58 2wwq s HIS 15 N 0.39 2.86 0.00 0.56 2.46 -1.26 -4.63 115.29 115.66 2wwq s HIS 15 Ca 0.26 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.75 2wwq s HIS 15 Cb -0.16 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.31 2wwq s HIS 15 CO 0.11 -0.52 0.45 1.33 -2.47 0.00 0.00 174.74 173.64 2wwq n VAL 16 N 4.39 0.00 -1.68 0.89 0.24 -1.26 -2.28 118.33 118.63 2wwq n VAL 16 Ca -0.19 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 61.65 2wwq n VAL 16 Cb 0.51 0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 33.53 2wwq n VAL 16 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2wwq n SER 17 N 0.00 3.44 -0.59 -1.34 7.64 -1.26 -4.34 113.62 117.16 2wwq n SER 17 Ca 0.00 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2wwq n SER 17 Cb 0.52 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2wwq n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wwq n GLU 18 N 5.28 0.00 -1.43 1.43 -0.58 -1.26 -4.87 120.64 119.20 2wwq n GLU 18 Ca 0.20 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.46 2wwq n GLU 18 Cb 0.31 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.15 2wwq n GLU 18 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2wwq n LYS 19 N -1.19 0.23 -0.62 3.49 2.85 -1.26 -2.62 118.16 119.04 2wwq n LYS 19 Ca 0.00 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2wwq n LYS 19 Cb 0.00 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 2wwq n LYS 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wwq n ALA 20 N 0.02 0.00 -1.23 0.58 0.00 -1.26 -4.54 120.51 114.09 2wwq n ALA 20 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2wwq n ALA 20 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2wwq n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wwq n SER 21 N 0.63 0.00 -0.07 0.00 3.41 -1.24 -4.21 113.62 112.15 2wwq n SER 21 Ca 0.00 -0.36 -0.15 0.00 -0.26 0.00 0.00 58.87 58.10 2wwq n SER 21 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2wwq n SER 21 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wwq n THR 22 N 0.00 0.82 -0.14 6.66 -2.24 -1.08 -4.19 114.28 114.12 2wwq n THR 22 Ca 0.00 -0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2wwq n THR 22 Cb 0.09 -1.71 0.02 0.00 -2.10 0.00 0.00 70.33 66.63 2wwq n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wwq h ALA 23 N -0.51 0.22 -0.58 6.98 0.00 -1.87 -1.60 119.26 121.89 2wwq h ALA 23 Ca -0.34 0.17 -0.69 0.00 0.00 0.00 0.00 54.91 54.05 2wwq h ALA 23 Cb 1.27 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 2wwq h ALA 23 CO -0.21 -0.50 2.07 -1.33 0.00 0.00 0.00 179.25 179.29 2wwq n MET 24 N -5.36 4.13 0.00 0.00 2.81 -1.26 -2.23 117.12 115.21 2wwq n MET 24 Ca 0.03 -3.17 0.00 0.00 -1.81 0.00 0.00 57.70 52.75 2wwq n MET 24 Cb 0.27 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.24 2wwq n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wwq n GLU 25 N 1.66 0.00 0.00 0.03 2.13 -0.66 -4.34 120.64 119.46 2wwq n GLU 25 Ca 0.61 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.30 2wwq n GLU 25 Cb 0.31 -0.29 -0.09 0.00 0.27 0.00 0.00 31.44 31.64 2wwq n GLU 25 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2wwq h LYS 26 N 0.00 0.01 -0.10 5.31 3.64 -1.51 -3.34 116.57 120.57 2wwq h LYS 26 Ca 0.00 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2wwq h LYS 26 Cb 0.00 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2wwq h LYS 26 CO 0.00 0.33 -0.61 1.03 -2.27 0.00 0.00 179.45 177.93 2wwq h SER 27 N -0.32 0.72 0.00 4.20 0.87 -1.68 -3.48 113.55 113.85 2wwq h SER 27 Ca 0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2wwq h SER 27 Cb 0.33 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2wwq h SER 27 CO 0.00 1.25 0.00 -0.46 -0.53 0.00 0.00 176.83 177.09 2wwq n ASN 28 N -4.14 0.00 -1.39 6.23 0.23 -1.25 -5.07 115.26 109.87 2wwq n ASN 28 Ca -0.08 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.14 2wwq n ASN 28 Cb 0.66 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.28 2wwq n ASN 28 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2wwq n THR 29 N -0.71 -0.26 -4.46 5.53 -2.24 -1.26 -2.86 114.28 108.02 2wwq n THR 29 Ca 0.00 0.60 -0.22 0.00 -2.27 0.00 0.00 64.05 62.16 2wwq n THR 29 Cb 0.00 -1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 67.06 2wwq n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2wwq s ILE 30 N -3.51 1.25 0.02 2.28 2.07 -1.26 -4.09 121.20 117.95 2wwq s ILE 30 Ca 0.00 -2.00 -0.14 0.00 -1.41 0.00 0.00 60.65 57.09 2wwq s ILE 30 Cb 0.00 -2.81 0.02 0.00 0.13 0.00 0.00 42.46 39.80 2wwq s ILE 30 CO 0.00 -0.00 0.31 -0.69 -1.91 0.00 0.00 174.94 172.65 2wwq s VAL 31 N -3.25 0.07 -0.28 4.00 1.01 -1.26 -1.66 120.40 119.02 2wwq s VAL 31 Ca 0.36 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 2wwq s VAL 31 Cb 0.09 -0.79 0.13 0.00 0.00 0.00 0.00 36.38 35.81 2wwq s VAL 31 CO 0.16 -0.32 1.05 -0.76 0.00 0.00 0.00 175.10 175.23 2wwq s LEU 32 N -1.72 -0.43 -0.10 3.92 1.02 -0.97 -4.45 118.68 115.96 2wwq s LEU 32 Ca -0.09 0.80 -0.31 0.00 0.02 0.00 0.00 54.13 54.55 2wwq s LEU 32 Cb -0.03 1.80 -0.09 0.00 0.02 0.00 0.00 46.19 47.89 2wwq s LEU 32 CO 0.00 -0.14 2.02 1.17 0.02 0.00 0.00 176.35 179.43 2wwq n LYS 33 N 2.45 2.26 -3.95 1.70 4.81 -1.11 -3.43 118.16 120.90 2wwq n LYS 33 Ca -0.13 0.78 -0.31 0.00 -0.87 0.00 0.00 58.31 57.78 2wwq n LYS 33 Cb 0.56 -2.89 -0.15 0.00 0.02 0.00 0.00 35.03 32.57 2wwq n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2wwq s VAL 34 N 5.50 1.84 0.00 3.15 -7.23 -1.04 -3.90 120.40 118.73 2wwq s VAL 34 Ca 0.95 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 2wwq s VAL 34 Cb -0.54 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.12 2wwq s VAL 34 CO 0.45 -0.48 0.00 0.00 -0.31 0.00 0.00 175.10 174.76 2wwq n ALA 35 N 4.47 0.00 -0.33 1.32 0.00 -1.14 -3.41 120.51 121.41 2wwq n ALA 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wwq n ALA 35 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2wwq n ALA 35 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wwq n LYS 36 N 9.60 0.00 0.00 0.00 2.85 -1.26 -2.77 118.16 126.58 2wwq n LYS 36 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 2wwq n LYS 36 Cb 0.00 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 34.60 2wwq n LYS 36 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2wwq h ASP 37 N 0.00 0.50 -0.94 -5.58 3.04 -1.97 -3.47 116.42 108.00 2wwq h ASP 37 Ca 0.00 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 2wwq h ASP 37 Cb 0.08 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 2wwq h ASP 37 CO 0.00 0.70 0.00 0.00 -2.04 0.00 0.00 179.24 177.90 2wwq n ALA 38 N -2.48 -0.89 -3.65 4.15 0.00 -1.26 -5.13 120.51 111.25 2wwq n ALA 38 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2wwq n ALA 38 Cb 0.36 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.82 2wwq n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wwq n THR 39 N -0.17 0.00 0.00 0.00 5.66 -1.26 -5.06 114.28 113.45 2wwq n THR 39 Ca 0.00 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2wwq n THR 39 Cb 0.02 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 2wwq n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2wwq n LYS 40 N -0.53 0.88 0.13 1.09 4.81 -1.26 -4.80 118.16 118.48 2wwq n LYS 40 Ca -0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.18 2wwq n LYS 40 Cb 0.42 -0.78 -0.15 0.00 0.02 0.00 0.00 35.03 34.54 2wwq n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wwq h ALA 41 N 0.00 -0.14 0.00 3.14 0.00 -1.98 -2.15 119.26 118.13 2wwq h ALA 41 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2wwq h ALA 41 Cb 0.57 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wwq h ALA 41 CO 0.00 0.66 0.00 0.39 0.00 0.00 0.00 179.25 180.30 2wwq n GLU 42 N -3.77 0.36 -0.08 0.00 1.02 -1.26 -1.76 120.64 115.15 2wwq n GLU 42 Ca -0.16 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 2wwq n GLU 42 Cb 1.06 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.84 2wwq n GLU 42 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wwq n ILE 43 N -1.31 1.49 -0.04 -3.67 2.08 -1.14 -3.50 119.36 113.27 2wwq n ILE 43 Ca 0.13 -0.77 -0.13 0.00 0.56 0.00 0.00 62.75 62.53 2wwq n ILE 43 Cb 0.24 -0.88 -0.11 0.00 -0.75 0.00 0.00 39.64 38.13 2wwq n ILE 43 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2wwq h LYS 44 N 0.01 -0.01 0.00 0.38 3.64 -1.00 -1.80 116.57 117.78 2wwq h LYS 44 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2wwq h LYS 44 Cb 2.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 2wwq h LYS 44 CO 0.02 0.77 0.00 0.00 -2.27 0.00 0.00 179.45 177.97 2wwq n ALA 45 N -2.52 1.83 -0.12 5.00 0.00 -0.72 -3.32 120.51 120.66 2wwq n ALA 45 Ca -0.09 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 2wwq n ALA 45 Cb 0.38 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 2wwq n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 46 N -0.83 1.50 0.85 0.00 0.00 -0.71 -3.65 120.51 117.66 2wwq n ALA 46 Ca 0.05 -0.94 0.14 0.00 0.00 0.00 0.00 53.44 52.68 2wwq n ALA 46 Cb 0.02 0.11 0.53 0.00 0.00 0.00 0.00 19.45 20.12 2wwq n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wwq n VAL 47 N -3.69 0.24 0.00 0.00 0.24 -1.00 -1.60 118.33 112.52 2wwq n VAL 47 Ca -0.43 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 2wwq n VAL 47 Cb 0.86 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2wwq n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wwq n GLN 48 N -1.81 0.00 0.03 7.34 1.13 -1.21 -3.07 117.38 119.79 2wwq n GLN 48 Ca 0.06 0.22 -0.06 0.00 -1.94 0.00 0.00 57.00 55.29 2wwq n GLN 48 Cb 0.38 -0.90 -0.03 0.00 0.11 0.00 0.00 30.24 29.79 2wwq n GLN 48 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2wwq h LYS 49 N 0.00 -0.24 -6.39 -1.09 1.57 -1.62 -3.26 116.57 105.55 2wwq h LYS 49 Ca 0.00 0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 58.26 2wwq h LYS 49 Cb 0.00 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2wwq h LYS 49 CO 0.00 -0.16 0.98 -0.51 -0.57 0.00 0.00 179.45 179.19 2wwq s LEU 50 N -6.78 4.34 0.00 2.94 1.43 -0.63 -4.63 118.68 115.35 2wwq s LEU 50 Ca -0.06 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 2wwq s LEU 50 Cb 0.02 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2wwq s LEU 50 CO 0.21 -0.85 0.00 0.49 0.23 0.00 0.00 176.35 176.43 2wwq n PHE 51 N 5.87 0.00 -1.85 0.29 0.99 -1.26 -3.87 117.46 117.63 2wwq n PHE 51 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.59 2wwq n PHE 51 Cb 0.42 0.04 -0.01 0.00 -1.00 0.00 0.00 39.48 38.92 2wwq n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2wwq n GLU 52 N 0.58 0.00 -2.32 -1.08 4.07 -1.23 -4.81 120.64 115.85 2wwq n GLU 52 Ca 0.00 -0.19 -0.41 0.00 -0.06 0.00 0.00 57.16 56.50 2wwq n GLU 52 Cb 0.00 0.11 -0.03 0.00 -0.06 0.00 0.00 31.44 31.46 2wwq n GLU 52 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2wwq s VAL 53 N 0.00 3.41 -0.01 6.31 -7.23 -1.17 -4.95 120.40 116.76 2wwq s VAL 53 Ca 0.00 1.21 -0.16 0.00 -1.81 0.00 0.00 61.98 61.22 2wwq s VAL 53 Cb 0.00 -3.77 -0.06 0.00 0.56 0.00 0.00 36.38 33.11 2wwq s VAL 53 CO 0.00 0.20 0.43 -1.61 -0.31 0.00 0.00 175.10 173.82 2wwq s GLU 54 N -0.40 4.01 0.27 4.82 2.02 -1.26 -3.79 118.70 124.37 2wwq s GLU 54 Ca 0.53 0.45 0.03 0.00 0.02 0.00 0.00 54.97 56.00 2wwq s GLU 54 Cb -0.34 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 2wwq s GLU 54 CO 0.38 0.62 0.22 0.14 0.02 0.00 0.00 175.26 176.64 2wwq s VAL 55 N -0.87 0.00 0.00 2.63 -7.23 -1.26 -1.00 120.40 112.67 2wwq s VAL 55 Ca 0.24 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2wwq s VAL 55 Cb -0.17 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2wwq s VAL 55 CO 0.14 0.00 0.00 -1.84 -0.31 0.00 0.00 175.10 173.09 2wwq n GLU 56 N -0.46 2.26 -3.84 4.82 0.28 -1.13 -4.58 120.64 117.99 2wwq n GLU 56 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.98 2wwq n GLU 56 Cb 0.64 -0.22 -0.02 0.00 1.43 0.00 0.00 31.44 33.27 2wwq n GLU 56 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2wwq s VAL 57 N -0.13 0.00 0.08 3.84 0.11 -1.25 -5.13 120.40 117.92 2wwq s VAL 57 Ca 0.00 -0.96 0.07 0.00 -2.93 0.00 0.00 61.98 58.16 2wwq s VAL 57 Cb 0.00 -1.95 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 2wwq s VAL 57 CO 0.00 -0.00 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.91 2wwq s VAL 58 N -3.91 1.40 -0.07 2.04 1.01 -1.26 -4.10 120.40 115.52 2wwq s VAL 58 Ca 0.11 -1.40 0.05 0.00 0.00 0.00 0.00 61.98 60.74 2wwq s VAL 58 Cb -0.06 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2wwq s VAL 58 CO 0.06 -0.12 -0.21 0.20 0.00 0.00 0.00 175.10 175.02 2wwq s ASN 59 N -1.77 3.40 0.05 3.32 0.02 -0.06 -5.01 114.94 114.90 2wwq s ASN 59 Ca 0.02 -0.42 0.06 0.00 -1.02 0.00 0.00 52.86 51.50 2wwq s ASN 59 Cb -0.10 -0.95 -0.03 0.00 0.02 0.00 0.00 41.25 40.19 2wwq s ASN 59 CO 0.03 0.25 -0.17 0.42 0.02 0.00 0.00 177.10 177.65 2wwq s THR 60 N -0.20 1.39 -0.29 1.60 -4.23 -1.26 -1.70 115.64 110.95 2wwq s THR 60 Ca -0.02 -1.18 -0.16 0.00 -1.18 0.00 0.00 61.69 59.16 2wwq s THR 60 Cb -0.13 -1.25 0.14 0.00 1.34 0.00 0.00 72.50 72.60 2wwq s THR 60 CO 0.03 0.04 0.92 -1.48 -0.54 0.00 0.00 174.62 173.59 2wwq s LEU 61 N -1.32 -0.62 0.46 4.79 2.34 -0.99 -5.02 118.68 118.31 2wwq s LEU 61 Ca 0.04 0.96 -0.22 0.00 0.06 0.00 0.00 54.13 54.97 2wwq s LEU 61 Cb -0.09 1.86 -0.08 0.00 -0.56 0.00 0.00 46.19 47.32 2wwq s LEU 61 CO 0.02 -0.15 1.07 -0.69 -1.06 0.00 0.00 176.35 175.55 2wwq s VAL 62 N 1.63 3.58 -0.16 1.48 1.01 -1.26 -1.45 120.40 125.23 2wwq s VAL 62 Ca -0.08 1.09 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2wwq s VAL 62 Cb -0.05 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2wwq s VAL 62 CO -0.16 -0.11 -0.14 -0.69 0.00 0.00 0.00 175.10 173.99 2wwq s VAL 63 N -1.78 1.61 -1.04 2.92 1.01 -0.40 -4.84 120.40 117.87 2wwq s VAL 63 Ca 0.64 -0.70 0.15 0.00 0.00 0.00 0.00 61.98 62.07 2wwq s VAL 63 Cb -0.21 -1.53 0.47 0.00 0.00 0.00 0.00 36.38 35.11 2wwq s VAL 63 CO 0.26 0.42 1.40 0.29 0.00 0.00 0.00 175.10 177.47 2wwq n LYS 64 N 4.75 3.01 -0.76 2.72 5.02 -1.26 -2.19 118.16 129.45 2wwq n LYS 64 Ca -0.17 -2.42 0.10 0.00 -2.02 0.00 0.00 58.31 53.80 2wwq n LYS 64 Cb 0.50 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 2wwq n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wwq n GLY 65 N 0.68 -1.56 3.61 0.72 0.00 -1.26 -4.82 105.19 102.56 2wwq n GLY 65 Ca 0.18 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 2wwq n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wwq s LYS 66 N -1.22 1.65 0.57 1.61 -2.85 -1.26 -4.97 119.74 113.26 2wwq s LYS 66 Ca 0.00 -1.30 -0.15 0.00 -1.00 0.00 0.00 55.97 53.51 2wwq s LYS 66 Cb 0.00 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 2wwq s LYS 66 CO 0.00 -0.70 1.02 0.14 0.10 0.00 0.00 175.35 175.92 2wwq s VAL 67 N -3.80 4.24 0.00 1.79 -7.23 -1.26 -2.72 120.40 111.42 2wwq s VAL 67 Ca 0.22 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.40 2wwq s VAL 67 Cb -0.01 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.35 2wwq s VAL 67 CO 0.10 -0.68 0.00 1.17 -0.31 0.00 0.00 175.10 175.39 2wwq n LYS 68 N -1.99 0.00 -1.47 4.82 4.81 -0.66 -4.93 118.16 118.73 2wwq n LYS 68 Ca 0.07 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.15 2wwq n LYS 68 Cb 0.54 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.66 2wwq n LYS 68 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2wwq n ARG 69 N 0.00 0.67 -0.23 1.64 1.85 -1.26 -4.46 116.66 114.87 2wwq n ARG 69 Ca 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 2wwq n ARG 69 Cb 0.00 -2.20 0.00 0.00 -1.05 0.00 0.00 32.46 29.21 2wwq n ARG 69 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wwq n HIS 70 N -2.20 0.00 1.12 2.89 8.25 -1.26 -3.78 115.22 120.25 2wwq n HIS 70 Ca 0.13 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 2wwq n HIS 70 Cb 0.49 -1.71 0.20 0.00 1.12 0.00 0.00 29.99 30.09 2wwq n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wwq n GLY 71 N -0.21 0.67 0.10 -1.41 0.00 -1.26 -3.61 105.19 99.47 2wwq n GLY 71 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.54 2wwq n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wwq n GLN 72 N 0.95 0.61 0.00 1.61 3.00 -1.26 -4.78 117.38 117.51 2wwq n GLN 72 Ca 0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2wwq n GLN 72 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.27 2wwq n GLN 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2wwq n ARG 73 N -1.02 0.00 -3.27 -1.09 0.63 -1.25 -5.15 116.66 105.50 2wwq n ARG 73 Ca 0.14 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.68 2wwq n ARG 73 Cb 0.28 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.13 2wwq n ARG 73 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2wwq s ILE 74 N 0.00 5.04 0.31 5.15 -1.09 -1.24 -4.52 121.20 124.85 2wwq s ILE 74 Ca 0.00 1.10 0.10 0.00 -2.23 0.00 0.00 60.65 59.62 2wwq s ILE 74 Cb 0.00 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 2wwq s ILE 74 CO 0.00 0.39 -0.08 -0.83 -1.23 0.00 0.00 174.94 173.20 2wwq s GLY 75 N 0.08 1.95 -0.11 6.18 0.00 -1.25 -5.03 107.32 109.14 2wwq s GLY 75 Ca 0.29 -1.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.00 2wwq s GLY 75 CO 0.14 -1.91 0.31 -1.60 0.00 0.00 0.00 173.10 170.04 2wwq s ARG 76 N -3.63 0.38 0.42 2.90 3.52 -1.26 -1.66 118.95 119.62 2wwq s ARG 76 Ca 0.32 0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 56.07 2wwq s ARG 76 Cb -0.03 0.18 -0.10 0.00 -1.56 0.00 0.00 34.95 33.45 2wwq s ARG 76 CO 0.18 -0.05 1.19 0.54 -0.81 0.00 0.00 175.30 176.35 2wwq n ARG 77 N 2.82 1.74 -2.05 5.12 1.74 -1.10 -4.99 116.66 119.95 2wwq n ARG 77 Ca -0.13 0.62 -0.38 0.00 -0.77 0.00 0.00 57.85 57.19 2wwq n ARG 77 Cb 0.58 -2.27 0.01 0.00 -1.02 0.00 0.00 32.46 29.75 2wwq n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wwq s SER 78 N -0.60 5.88 0.38 0.55 0.01 -1.26 -4.65 113.70 114.01 2wwq s SER 78 Ca 0.62 2.54 0.00 0.00 1.31 0.00 0.00 55.95 60.42 2wwq s SER 78 Cb -0.53 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.06 2wwq s SER 78 CO 0.57 -1.13 0.60 -1.81 0.41 0.00 0.00 173.24 171.88 2wwq s ASP 79 N -1.09 6.18 0.00 2.44 1.01 -1.26 -4.62 116.67 119.33 2wwq s ASP 79 Ca 0.65 0.45 0.00 0.00 0.71 0.00 0.00 52.55 54.36 2wwq s ASP 79 Cb -0.35 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.66 2wwq s ASP 79 CO 0.42 -0.42 0.00 -2.67 0.21 0.00 0.00 175.17 172.72 2wwq n TRP 80 N -1.89 -0.42 -4.38 4.23 4.27 -0.93 -4.95 117.44 113.37 2wwq n TRP 80 Ca -0.03 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.37 2wwq n TRP 80 Cb 0.56 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.38 2wwq n TRP 80 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 2wwq s LYS 81 N -0.56 0.99 -0.09 -2.67 1.02 -1.12 -1.28 119.74 116.04 2wwq s LYS 81 Ca 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.18 2wwq s LYS 81 Cb 0.00 -1.02 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 2wwq s LYS 81 CO 0.00 0.25 -0.04 0.21 -0.92 0.00 0.00 175.35 174.85 2wwq s LYS 82 N -1.20 3.03 -0.04 1.68 2.20 -0.53 -2.49 119.74 122.39 2wwq s LYS 82 Ca 0.02 -0.50 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2wwq s LYS 82 Cb -0.08 -2.73 0.02 0.00 -1.51 0.00 0.00 37.83 33.53 2wwq s LYS 82 CO 0.01 0.58 -0.06 0.00 -0.36 0.00 0.00 175.35 175.53 2wwq s ALA 83 N -0.57 0.73 -0.37 3.13 0.00 -1.22 -2.35 121.76 121.10 2wwq s ALA 83 Ca 0.09 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.68 2wwq s ALA 83 Cb -0.12 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2wwq s ALA 83 CO 0.02 0.02 0.99 0.71 0.00 0.00 0.00 175.76 177.50 2wwq s TYR 84 N 0.82 3.07 0.16 0.00 2.02 -0.69 -2.50 117.35 120.23 2wwq s TYR 84 Ca -0.12 0.87 -0.13 0.00 -0.37 0.00 0.00 57.07 57.33 2wwq s TYR 84 Cb -0.14 -3.75 0.05 0.00 -0.40 0.00 0.00 41.96 37.72 2wwq s TYR 84 CO 0.01 -0.86 1.71 0.28 -1.57 0.00 0.00 175.55 175.12 2wwq h VAL 85 N 5.85 1.22 -4.67 0.71 2.07 -1.59 -0.12 116.25 119.71 2wwq h VAL 85 Ca -0.22 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2wwq h VAL 85 Cb 1.07 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2wwq h VAL 85 CO 1.01 0.26 -0.01 0.41 0.02 0.00 0.00 177.57 179.26 2wwq n THR 86 N -4.52 -7.51 -1.95 2.57 -1.04 -1.25 -4.39 114.28 96.20 2wwq n THR 86 Ca 0.02 -0.15 -0.38 0.00 -2.04 0.00 0.00 64.05 61.50 2wwq n THR 86 Cb 0.16 -5.94 0.02 0.00 -1.82 0.00 0.00 70.33 62.75 2wwq n THR 86 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wwq s LEU 87 N -3.38 3.98 -0.23 -4.42 1.43 -1.26 -2.82 118.68 111.98 2wwq s LEU 87 Ca 0.00 2.65 -0.05 0.00 -1.03 0.00 0.00 54.13 55.70 2wwq s LEU 87 Cb -0.00 -4.17 -0.13 0.00 0.03 0.00 0.00 46.19 41.93 2wwq s LEU 87 CO 0.53 -1.25 -0.26 1.17 0.23 0.00 0.00 176.35 176.78 2wwq n LYS 88 N -0.61 0.54 -0.22 1.70 4.81 -0.17 -4.78 118.16 119.43 2wwq n LYS 88 Ca 0.08 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2wwq n LYS 88 Cb 0.45 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.10 2wwq n LYS 88 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2wwq n GLU 89 N -3.62 0.00 0.03 1.64 4.07 -1.25 -4.87 120.64 116.64 2wwq n GLU 89 Ca -0.44 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 56.78 2wwq n GLU 89 Cb 0.88 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 32.44 2wwq n GLU 89 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wwq n GLY 90 N 0.00 -1.32 0.58 8.31 0.00 -1.22 -4.19 105.19 107.35 2wwq n GLY 90 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2wwq n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwq n GLN 91 N -1.87 0.73 -0.15 1.61 0.00 -1.26 -3.09 117.38 113.36 2wwq n GLN 91 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.04 2wwq n GLN 91 Cb 0.40 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.31 2wwq n GLN 91 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2wwq n ASN 92 N 0.22 0.00 0.00 2.61 0.23 -1.26 -5.01 115.26 112.05 2wwq n ASN 92 Ca 0.00 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 2wwq n ASN 92 Cb 0.21 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 2wwq n ASN 92 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33