#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n LEU 3 N 0.00 4.10 0.00 2.89 -0.00 -1.26 -3.72 117.00 119.01 2wwq n LEU 3 Ca 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 56.01 53.95 2wwq n LEU 3 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 2wwq n LEU 3 CO 0.00 0.79 0.00 0.59 -0.00 0.00 0.00 177.39 178.77 2wwq n ASN 4 N 1.15 0.00 -0.18 1.96 5.03 -1.26 -4.84 115.26 117.12 2wwq n ASN 4 Ca 0.23 -0.53 0.05 0.00 0.87 0.00 0.00 54.58 55.20 2wwq n ASN 4 Cb 0.74 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.48 2wwq n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2wwq n THR 5 N 0.00 0.00 -1.81 3.41 -2.24 -1.26 -4.97 114.28 107.40 2wwq n THR 5 Ca 0.00 -0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 2wwq n THR 5 Cb 0.13 1.09 0.04 0.00 -2.10 0.00 0.00 70.33 69.49 2wwq n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2wwq s LEU 6 N -1.76 3.85 0.00 3.22 2.34 -1.24 -5.01 118.68 120.08 2wwq s LEU 6 Ca 0.07 2.73 0.00 0.00 0.06 0.00 0.00 54.13 56.99 2wwq s LEU 6 Cb 0.08 -4.28 0.00 0.00 -0.56 0.00 0.00 46.19 41.42 2wwq s LEU 6 CO 0.27 -1.54 0.00 -0.24 -1.06 0.00 0.00 176.35 173.78 2wwq n SER 7 N -1.02 0.00 -4.64 1.48 2.88 -1.26 -5.06 113.62 105.99 2wwq n SER 7 Ca 0.10 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 57.16 2wwq n SER 7 Cb 0.45 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 2wwq n SER 7 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wwq n PRO 8 N -0.39 1.75 -2.53 -1.46 -0.02 -1.26 -4.98 135.00 126.11 2wwq n PRO 8 Ca 0.00 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2wwq n PRO 8 Cb 0.00 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.10 2wwq n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wwq s ALA 9 N 1.01 2.89 -1.36 3.55 0.00 -1.26 -4.02 121.76 122.57 2wwq s ALA 9 Ca 0.82 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 2wwq s ALA 9 Cb -0.79 -4.10 0.03 0.00 0.00 0.00 0.00 23.12 18.25 2wwq s ALA 9 CO 0.43 -2.87 1.00 0.39 0.00 0.00 0.00 175.76 174.71 2wwq n GLU 10 N 8.70 -6.45 -2.57 0.00 -0.58 -1.26 -2.95 120.64 115.53 2wwq n GLU 10 Ca 0.08 0.73 -0.05 0.00 -0.42 0.00 0.00 57.16 57.50 2wwq n GLU 10 Cb 0.49 -5.64 0.02 0.00 -0.57 0.00 0.00 31.44 25.74 2wwq n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wwq n GLY 11 N -1.66 0.42 0.13 0.62 0.00 -1.26 -4.98 105.19 98.46 2wwq n GLY 11 Ca -0.10 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 2wwq n GLY 11 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wwq h SER 12 N -0.57 0.44 -2.80 1.61 0.02 -1.76 -3.37 113.55 107.12 2wwq h SER 12 Ca -0.14 -0.74 -0.68 0.00 -0.84 0.00 0.00 61.79 59.39 2wwq h SER 12 Cb 1.09 -0.13 -0.18 0.00 0.14 0.00 0.00 62.40 63.32 2wwq h SER 12 CO 0.13 1.11 0.33 -0.54 -1.14 0.00 0.00 176.83 176.72 2wwq s LYS 13 N -3.28 3.14 -0.15 3.45 1.02 -1.26 -5.01 119.74 117.65 2wwq s LYS 13 Ca -0.14 -1.24 -0.16 0.00 0.02 0.00 0.00 55.97 54.46 2wwq s LYS 13 Cb 0.03 -4.32 -0.04 0.00 -0.52 0.00 0.00 37.83 32.97 2wwq s LYS 13 CO 0.79 -1.65 0.38 0.21 -0.92 0.00 0.00 175.35 174.16 2wwq s LYS 14 N 3.08 4.29 0.50 1.68 2.20 -1.26 -4.98 119.74 125.24 2wwq s LYS 14 Ca 0.17 0.25 -0.22 0.00 -0.36 0.00 0.00 55.97 55.81 2wwq s LYS 14 Cb -0.19 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 2wwq s LYS 14 CO 0.06 0.19 1.23 0.00 -0.36 0.00 0.00 175.35 176.46 2wwq s ALA 15 N 0.58 2.89 0.98 3.13 0.00 -1.26 -5.03 121.76 123.06 2wwq s ALA 15 Ca 0.21 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 2wwq s ALA 15 Cb -0.14 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.64 2wwq s ALA 15 CO 0.07 -0.91 0.62 0.41 0.00 0.00 0.00 175.76 175.94 2wwq n GLY 16 N 0.53 -1.23 3.90 0.00 0.00 -1.26 -5.06 105.19 102.06 2wwq n GLY 16 Ca 0.09 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2wwq n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 17 N -4.34 2.91 -0.40 1.61 1.02 -1.26 -5.01 119.74 114.27 2wwq s LYS 17 Ca 0.35 0.30 0.11 0.00 0.02 0.00 0.00 55.97 56.75 2wwq s LYS 17 Cb -0.01 -2.12 0.42 0.00 -0.52 0.00 0.00 37.83 35.60 2wwq s LYS 17 CO 0.25 -0.89 0.99 0.54 -0.92 0.00 0.00 175.35 175.32 2wwq n ARG 18 N -2.84 2.26 -2.06 1.68 5.12 -1.26 -5.11 116.66 114.45 2wwq n ARG 18 Ca 0.06 -3.94 -0.38 0.00 -1.93 0.00 0.00 57.85 51.66 2wwq n ARG 18 Cb 0.57 -1.80 0.01 0.00 -1.16 0.00 0.00 32.46 30.08 2wwq n ARG 18 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wwq s LEU 19 N -3.25 4.04 0.00 0.55 0.20 -1.26 -3.08 118.68 115.87 2wwq s LEU 19 Ca 0.39 2.55 0.00 0.00 0.69 0.00 0.00 54.13 57.76 2wwq s LEU 19 Cb 0.40 -4.13 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 2wwq s LEU 19 CO -0.08 -1.07 0.00 0.61 -0.29 0.00 0.00 176.35 175.52 2wwq n GLY 20 N 0.60 0.68 3.03 7.98 0.00 -1.01 -5.07 105.19 111.39 2wwq n GLY 20 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2wwq n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwq s ARG 21 N -0.92 0.32 0.00 1.61 3.00 -1.18 -4.71 118.95 117.08 2wwq s ARG 21 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 55.73 55.44 2wwq s ARG 21 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 34.95 35.08 2wwq s ARG 21 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 175.30 175.64 2wwq n GLY 22 N 1.99 -1.88 0.09 -3.53 0.00 -1.26 -3.31 105.19 97.29 2wwq n GLY 22 Ca -0.20 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 2wwq n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wwq h ILE 23 N 0.00 1.66 -0.00 -0.61 1.08 -1.93 -0.42 117.51 117.29 2wwq h ILE 23 Ca 0.00 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 2wwq h ILE 23 Cb 0.00 3.20 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 2wwq h ILE 23 CO 0.00 0.62 -0.13 0.61 -0.69 0.00 0.00 178.15 178.57 2wwq n GLY 24 N 1.49 -1.19 0.26 5.37 0.00 -1.26 -2.35 105.19 107.52 2wwq n GLY 24 Ca -0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 2wwq n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wwq h SER 25 N 0.24 0.76 -0.15 1.61 4.64 -1.90 -3.48 113.55 115.27 2wwq h SER 25 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2wwq h SER 25 Cb 0.41 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2wwq h SER 25 CO 0.00 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.53 2wwq n GLY 26 N -0.28 0.66 0.23 -0.77 0.00 -0.99 -4.94 105.19 99.10 2wwq n GLY 26 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2wwq n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wwq n LEU 27 N -0.08 0.00 -4.90 0.99 4.77 -1.23 -4.94 117.00 111.61 2wwq n LEU 27 Ca 0.00 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.18 2wwq n LEU 27 Cb 0.43 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2wwq n LEU 27 CO 0.00 0.23 0.60 -0.83 -1.33 0.00 0.00 177.39 176.06 2wwq s GLY 28 N -0.38 1.61 0.00 -0.72 0.00 -0.17 -2.42 107.32 105.24 2wwq s GLY 28 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 2wwq s GLY 28 CO 0.00 -0.25 0.00 0.58 0.00 0.00 0.00 173.10 173.43 2wwq n LYS 29 N -2.68 0.00 -3.54 2.90 2.85 -1.26 -3.07 118.16 113.36 2wwq n LYS 29 Ca 0.05 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.12 2wwq n LYS 29 Cb 0.57 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 35.01 2wwq n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2wwq n THR 30 N 0.73 -5.57 1.21 0.58 -2.24 -1.26 -4.91 114.28 102.82 2wwq n THR 30 Ca 0.00 -0.57 0.06 0.00 -2.27 0.00 0.00 64.05 61.27 2wwq n THR 30 Cb 0.00 -4.57 0.21 0.00 -2.10 0.00 0.00 70.33 63.87 2wwq n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wwq n GLY 31 N -1.34 0.20 1.27 3.38 0.00 -1.17 -3.56 105.19 103.95 2wwq n GLY 31 Ca -0.27 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 2wwq n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwq n GLY 32 N 0.97 0.75 0.19 -0.02 0.00 -1.26 -4.67 105.19 101.14 2wwq n GLY 32 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wwq n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wwq n ARG 33 N -0.22 0.00 0.00 1.61 1.85 -1.25 -5.14 116.66 113.52 2wwq n ARG 33 Ca -0.25 -0.44 0.00 0.00 -1.00 0.00 0.00 57.85 56.16 2wwq n ARG 33 Cb 0.74 -0.32 0.00 0.00 -1.05 0.00 0.00 32.46 31.83 2wwq n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wwq n GLY 34 N 0.00 -1.49 3.60 2.89 0.00 -1.23 -3.75 105.19 105.20 2wwq n GLY 34 Ca 0.00 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 2wwq n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wwq s HIS 35 N 0.00 3.03 0.24 1.61 0.09 -1.26 -4.80 115.29 114.20 2wwq s HIS 35 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 55.06 55.07 2wwq s HIS 35 Cb 0.00 -1.79 0.00 0.00 -0.00 0.00 0.00 32.58 30.79 2wwq s HIS 35 CO 0.00 0.30 0.00 1.63 -0.00 0.00 0.00 174.74 176.67 2wwq n LYS 36 N 2.49 -2.11 0.00 1.40 5.02 -1.26 -4.90 118.16 118.80 2wwq n LYS 36 Ca -0.18 1.39 0.00 0.00 -2.02 0.00 0.00 58.31 57.50 2wwq n LYS 36 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 2wwq n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wwq n GLY 37 N -3.21 -0.38 0.17 0.72 0.00 -1.26 -3.00 105.19 98.23 2wwq n GLY 37 Ca 0.01 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.35 2wwq n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wwq h GLN 38 N 0.00 0.00 -0.53 1.61 4.15 -1.97 -2.36 115.11 116.01 2wwq h GLN 38 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2wwq h GLN 38 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2wwq h GLN 38 CO 0.00 0.00 0.34 0.87 -1.93 0.00 0.00 178.83 178.11 2wwq h LYS 39 N 0.00 0.66 0.00 1.69 1.57 -1.89 -3.39 116.57 115.22 2wwq h LYS 39 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wwq h LYS 39 Cb 0.59 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2wwq h LYS 39 CO 0.00 0.44 0.00 0.43 -0.57 0.00 0.00 179.45 179.75 2wwq n SER 40 N -4.75 0.00 -0.52 0.86 7.64 -0.89 -4.89 113.62 111.07 2wwq n SER 40 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2wwq n SER 40 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2wwq n SER 40 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wwq n ARG 41 N 0.00 0.00 -4.02 1.43 5.12 -1.23 -4.73 116.66 113.24 2wwq n ARG 41 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 2wwq n ARG 41 Cb 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.19 2wwq n ARG 41 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2wwq s SER 42 N -4.00 0.36 0.00 0.55 0.01 -1.26 -4.88 113.70 104.48 2wwq s SER 42 Ca 0.00 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2wwq s SER 42 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2wwq s SER 42 CO 0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2wwq n GLY 43 N 1.10 0.00 2.09 3.44 0.00 -1.26 -4.90 105.19 105.66 2wwq n GLY 43 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2wwq n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwq n GLY 44 N 0.00 0.66 6.68 -0.02 0.00 -1.26 -4.84 105.19 106.41 2wwq n GLY 44 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2wwq n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwq n GLY 45 N -2.65 -1.35 3.71 -0.02 0.00 -1.26 -4.80 105.19 98.82 2wwq n GLY 45 Ca 0.00 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2wwq n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwq s VAL 46 N -0.10 3.37 0.56 1.61 1.01 -1.26 -4.98 120.40 120.61 2wwq s VAL 46 Ca 0.00 0.95 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 2wwq s VAL 46 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2wwq s VAL 46 CO 0.00 0.06 1.34 -0.60 0.00 0.00 0.00 175.10 175.90 2wwq s ARG 47 N 1.36 3.08 0.44 2.72 3.52 -1.26 -4.97 118.95 123.84 2wwq s ARG 47 Ca 0.65 2.18 -0.24 0.00 -0.13 0.00 0.00 55.73 58.19 2wwq s ARG 47 Cb -0.36 -2.20 -0.08 0.00 -1.56 0.00 0.00 34.95 30.76 2wwq s ARG 47 CO 0.30 -1.22 1.16 -0.98 -0.81 0.00 0.00 175.30 173.74 2wwq s ARG 48 N -2.98 3.88 0.00 5.12 1.70 -1.26 -2.40 118.95 123.02 2wwq s ARG 48 Ca 0.73 1.78 0.00 0.00 -0.47 0.00 0.00 55.73 57.77 2wwq s ARG 48 Cb -0.39 -2.50 0.00 0.00 -0.57 0.00 0.00 34.95 31.49 2wwq s ARG 48 CO 0.46 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.64 2wwq n GLY 49 N 0.49 2.76 3.83 3.88 0.00 -1.26 -5.00 105.19 109.88 2wwq n GLY 49 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2wwq n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wwq s PHE 50 N -2.05 3.62 0.00 1.61 2.19 -1.01 -4.64 117.98 117.71 2wwq s PHE 50 Ca 0.00 0.74 0.00 0.00 0.33 0.00 0.00 56.93 58.00 2wwq s PHE 50 Cb 0.00 -2.18 0.00 0.00 -1.31 0.00 0.00 43.02 39.53 2wwq s PHE 50 CO 0.00 0.59 0.63 -0.85 1.83 0.00 0.00 175.22 177.42 2wwq n GLU 51 N 2.27 0.00 0.00 10.12 -0.00 -1.26 -4.85 120.64 126.92 2wwq n GLU 51 Ca -0.16 -0.28 0.00 0.00 -0.00 0.00 0.00 57.16 56.72 2wwq n GLU 51 Cb 0.53 -0.14 0.00 0.00 -0.00 0.00 0.00 31.44 31.83 2wwq n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wwq n GLY 52 N 0.00 1.23 0.00 -1.84 0.00 -1.26 -4.64 105.19 98.67 2wwq n GLY 52 Ca 0.00 -2.27 0.09 0.00 0.00 0.00 0.00 46.02 43.84 2wwq n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwq n GLY 53 N -1.07 -0.78 3.29 -0.02 0.00 -1.26 -4.67 105.19 100.68 2wwq n GLY 53 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2wwq n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wwq n GLN 54 N -0.84 -2.69 -3.68 1.61 6.02 -1.26 -5.07 117.38 111.48 2wwq n GLN 54 Ca 0.13 -0.77 -0.31 0.00 -0.01 0.00 0.00 57.00 56.03 2wwq n GLN 54 Cb 0.06 -1.86 -0.05 0.00 1.02 0.00 0.00 30.24 29.41 2wwq n GLN 54 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2wwq s MET 55 N -4.06 3.60 0.80 -1.09 -1.94 -1.26 -4.81 119.30 110.55 2wwq s MET 55 Ca 0.60 -0.12 -0.17 0.00 -1.71 0.00 0.00 55.69 54.29 2wwq s MET 55 Cb -0.16 -2.85 -0.11 0.00 2.01 0.00 0.00 34.83 33.72 2wwq s MET 55 CO 0.60 0.47 -0.24 -2.30 -0.01 0.00 0.00 175.02 173.53 2wwq n PRO 56 N 0.04 0.03 0.23 2.03 -0.02 -1.26 -4.90 135.00 131.14 2wwq n PRO 56 Ca -0.03 0.02 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 2wwq n PRO 56 Cb 0.52 -1.24 0.57 0.00 -0.02 0.00 0.00 33.50 33.33 2wwq n PRO 56 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 2wwq h LEU 57 N -0.65 0.00 -0.12 2.45 -0.00 -1.97 -2.68 115.31 112.34 2wwq h LEU 57 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2wwq h LEU 57 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2wwq h LEU 57 CO 0.33 0.00 -0.48 0.00 -0.00 0.00 0.00 178.44 178.30 2wwq n TYR 58 N -2.83 0.00 -0.68 0.17 0.18 -1.26 -2.74 117.16 110.00 2wwq n TYR 58 Ca 0.02 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.88 2wwq n TYR 58 Cb 0.31 -0.20 0.31 0.00 -0.38 0.00 0.00 39.34 39.38 2wwq n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wwq n ARG 59 N -1.30 3.58 -0.03 -3.48 1.74 -1.01 -3.80 116.66 112.36 2wwq n ARG 59 Ca 0.07 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.36 2wwq n ARG 59 Cb 0.34 -1.84 0.01 0.00 -1.02 0.00 0.00 32.46 29.95 2wwq n ARG 59 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wwq n ARG 60 N 0.61 1.18 -4.34 5.56 1.74 -1.11 -4.97 116.66 115.33 2wwq n ARG 60 Ca 0.23 -0.99 -0.28 0.00 -0.77 0.00 0.00 57.85 56.03 2wwq n ARG 60 Cb 0.86 -0.73 -0.11 0.00 -1.02 0.00 0.00 32.46 31.46 2wwq n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wwq s LEU 61 N -0.50 2.62 0.50 0.55 1.43 -1.16 -5.07 118.68 117.05 2wwq s LEU 61 Ca 0.01 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2wwq s LEU 61 Cb 0.01 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.81 2wwq s LEU 61 CO 0.00 0.15 0.73 -2.16 0.23 0.00 0.00 176.35 175.30 2wwq s PRO 62 N -2.35 2.87 0.73 1.29 0.04 -1.26 -4.86 135.00 131.46 2wwq s PRO 62 Ca 0.19 -0.54 -0.01 0.00 0.04 0.00 0.00 61.00 60.68 2wwq s PRO 62 Cb -0.10 -2.51 0.13 0.00 0.04 0.00 0.00 34.50 32.07 2wwq s PRO 62 CO 0.10 -0.46 1.01 -1.59 0.04 0.00 0.00 177.00 176.10 2wwq s LYS 63 N -4.66 1.62 0.00 4.56 -2.85 -1.26 -5.03 119.74 112.11 2wwq s LYS 63 Ca 0.52 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.33 2wwq s LYS 63 Cb -0.10 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.34 2wwq s LYS 63 CO 0.39 -1.50 0.00 1.97 0.10 0.00 0.00 175.35 176.31 2wwq n PHE 64 N -2.86 0.00 -1.30 1.78 1.16 -1.26 -5.15 117.46 109.83 2wwq n PHE 64 Ca 0.16 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.44 2wwq n PHE 64 Cb 0.61 0.02 0.19 0.00 -1.61 0.00 0.00 39.48 38.69 2wwq n PHE 64 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2wwq s GLY 65 N 0.00 1.59 0.00 4.97 0.00 -1.26 -5.05 107.32 107.57 2wwq s GLY 65 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.05 2wwq s GLY 65 CO 0.00 0.03 0.00 0.33 0.00 0.00 0.00 173.10 173.46 2wwq n PHE 66 N -4.24 0.00 -3.99 1.90 7.35 -1.26 -5.13 117.46 112.09 2wwq n PHE 66 Ca 0.09 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.44 2wwq n PHE 66 Cb 0.59 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.27 2wwq n PHE 66 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2wwq s THR 67 N 0.00 2.83 0.17 -2.13 2.01 -1.26 -4.97 115.64 112.29 2wwq s THR 67 Ca 0.00 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2wwq s THR 67 Cb 0.00 -2.28 -0.14 0.00 0.01 0.00 0.00 72.50 70.09 2wwq s THR 67 CO 0.00 0.44 1.39 0.77 -0.69 0.00 0.00 174.62 176.53 2wwq h SER 68 N 8.04 0.24 0.00 3.53 4.64 -2.01 -3.48 113.55 124.51 2wwq h SER 68 Ca -0.42 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2wwq h SER 68 Cb 1.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2wwq h SER 68 CO 0.61 0.99 0.00 0.54 -0.87 0.00 0.00 176.83 178.10 2wwq n ARG 69 N -3.67 -0.74 -0.09 4.77 1.74 -1.26 -4.64 116.66 112.77 2wwq n ARG 69 Ca -0.03 0.18 -0.10 0.00 -0.77 0.00 0.00 57.85 57.14 2wwq n ARG 69 Cb 0.79 -4.10 -0.14 0.00 -1.02 0.00 0.00 32.46 27.99 2wwq n ARG 69 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wwq n LYS 70 N -1.08 0.97 0.11 5.56 4.76 -1.26 -3.98 118.16 123.23 2wwq n LYS 70 Ca 0.00 -0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2wwq n LYS 70 Cb 0.18 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.95 2wwq n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wwq h ALA 71 N 0.86 0.70 0.00 7.82 0.00 -1.91 -3.02 119.26 123.70 2wwq h ALA 71 Ca -0.50 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 53.70 2wwq h ALA 71 Cb 2.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2wwq h ALA 71 CO 0.02 0.94 -0.09 0.00 0.00 0.00 0.00 179.25 180.12 2wwq h ALA 72 N 1.25 1.36 0.00 0.00 0.00 -1.92 -3.06 119.26 116.88 2wwq h ALA 72 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wwq h ALA 72 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2wwq h ALA 72 CO 0.10 0.11 -0.81 0.44 0.00 0.00 0.00 179.25 179.09 2wwq n ILE 73 N -3.72 0.00 -2.91 0.00 -5.35 -1.23 -4.84 119.36 101.31 2wwq n ILE 73 Ca -0.02 -0.24 -0.43 0.00 -0.27 0.00 0.00 62.75 61.78 2wwq n ILE 73 Cb 0.20 0.78 -0.05 0.00 -1.74 0.00 0.00 39.64 38.83 2wwq n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2wwq s THR 74 N -2.27 4.49 0.70 7.28 2.01 -1.14 -2.31 115.64 124.40 2wwq s THR 74 Ca 0.02 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2wwq s THR 74 Cb 0.08 -4.50 0.12 0.00 0.01 0.00 0.00 72.50 68.21 2wwq s THR 74 CO 0.47 -1.09 0.97 0.00 -0.69 0.00 0.00 174.62 174.28 2wwq s ALA 75 N 3.66 3.85 -0.29 7.40 0.00 -0.95 -4.90 121.76 130.52 2wwq s ALA 75 Ca 0.26 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.38 2wwq s ALA 75 Cb -0.15 -1.92 0.10 0.00 0.00 0.00 0.00 23.12 21.15 2wwq s ALA 75 CO 0.16 -1.39 0.11 -1.21 0.00 0.00 0.00 175.76 173.43 2wwq s GLU 76 N -5.08 0.46 0.18 0.00 8.01 -1.26 -1.44 118.70 119.56 2wwq s GLU 76 Ca 0.66 -0.77 0.05 0.00 0.01 0.00 0.00 54.97 54.91 2wwq s GLU 76 Cb -0.05 -1.61 -0.04 0.00 -4.31 0.00 0.00 34.13 28.12 2wwq s GLU 76 CO 0.44 -0.98 0.22 0.96 0.01 0.00 0.00 175.26 175.91 2wwq s ILE 77 N 1.86 4.86 0.37 -1.63 -4.36 -0.49 -4.99 121.20 116.83 2wwq s ILE 77 Ca 0.09 -0.99 -0.10 0.00 -0.26 0.00 0.00 60.65 59.38 2wwq s ILE 77 Cb -0.17 -3.53 -0.07 0.00 1.25 0.00 0.00 42.46 39.94 2wwq s ILE 77 CO -0.29 -0.17 0.73 -0.13 0.24 0.00 0.00 174.94 175.32 2wwq s ARG 78 N -3.38 3.79 0.37 0.37 0.52 -1.26 -1.13 118.95 118.22 2wwq s ARG 78 Ca 0.33 0.43 0.05 0.00 -0.52 0.00 0.00 55.73 56.02 2wwq s ARG 78 Cb -0.10 -2.44 0.74 0.00 0.52 0.00 0.00 34.95 33.68 2wwq s ARG 78 CO 0.26 0.03 1.99 1.25 0.02 0.00 0.00 175.30 178.85 2wwq h LEU 79 N 1.47 0.64 -2.69 2.53 5.85 -0.79 -2.97 115.31 119.36 2wwq h LEU 79 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2wwq h LEU 79 Cb 1.19 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2wwq h LEU 79 CO 0.64 0.44 0.00 -1.54 -0.34 0.00 0.00 178.44 177.64 2wwq n SER 80 N -4.47 3.44 -0.83 1.25 3.41 -1.11 -2.98 113.62 112.34 2wwq n SER 80 Ca 0.08 -1.98 0.07 0.00 -0.26 0.00 0.00 58.87 56.79 2wwq n SER 80 Cb 0.16 -0.34 0.20 0.00 -0.26 0.00 0.00 64.21 63.96 2wwq n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wwq n ASP 81 N 1.18 3.25 -0.54 4.04 10.43 -1.12 -3.31 116.55 130.49 2wwq n ASP 81 Ca 0.18 -2.07 0.13 0.00 2.57 0.00 0.00 54.79 55.61 2wwq n ASP 81 Cb 0.54 -0.31 0.42 0.00 1.84 0.00 0.00 41.12 43.61 2wwq n ASP 81 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2wwq n LEU 82 N 0.71 1.72 0.08 0.64 4.77 -1.16 -3.30 117.00 120.46 2wwq n LEU 82 Ca 0.15 -0.57 0.13 0.00 -0.03 0.00 0.00 56.01 55.69 2wwq n LEU 82 Cb 0.51 -0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.92 2wwq n LEU 82 CO 0.11 0.29 0.70 0.00 -1.33 0.00 0.00 177.39 177.15 2wwq n ALA 83 N 0.28 2.55 -1.28 -1.18 0.00 -1.21 -4.25 120.51 115.42 2wwq n ALA 83 Ca 0.17 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 2wwq n ALA 83 Cb 0.40 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.69 2wwq n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wwq n LYS 84 N -2.12 2.30 0.00 0.00 5.02 -1.21 -4.15 118.16 118.00 2wwq n LYS 84 Ca 0.05 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.26 2wwq n LYS 84 Cb 0.42 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2wwq n LYS 84 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2wwq n VAL 85 N -1.01 0.00 -0.60 -0.18 3.14 -1.26 -4.88 118.33 113.54 2wwq n VAL 85 Ca 0.48 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.86 2wwq n VAL 85 Cb 1.42 -0.84 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 2wwq n VAL 85 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wwq n GLU 86 N -1.85 -1.69 0.00 1.45 -0.58 -1.26 -5.06 120.64 111.65 2wwq n GLU 86 Ca 0.00 1.27 0.00 0.00 -0.42 0.00 0.00 57.16 58.01 2wwq n GLU 86 Cb 0.44 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 2wwq n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wwq n GLY 87 N -1.15 -0.46 0.08 0.62 0.00 -1.26 -4.87 105.19 98.15 2wwq n GLY 87 Ca 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 2wwq n GLY 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wwq h GLY 88 N 0.00 0.00 -6.90 -0.02 0.00 -2.00 -3.45 103.07 90.70 2wwq h GLY 88 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 2wwq h GLY 88 CO 0.00 0.00 0.10 0.14 0.00 0.00 0.00 176.54 176.78 2wwq s VAL 89 N -2.87 4.93 -0.10 4.60 1.01 -1.26 -3.33 120.40 123.38 2wwq s VAL 89 Ca 0.01 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 2wwq s VAL 89 Cb 0.10 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2wwq s VAL 89 CO 0.80 -0.25 -0.04 -0.69 0.00 0.00 0.00 175.10 174.92 2wwq s VAL 90 N 2.61 0.75 0.35 2.92 1.01 -1.26 -5.01 120.40 121.77 2wwq s VAL 90 Ca 0.23 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.12 2wwq s VAL 90 Cb -0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2wwq s VAL 90 CO 0.14 0.30 0.18 -0.67 0.00 0.00 0.00 175.10 175.04 2wwq n ASP 91 N 5.03 0.54 -0.20 3.32 4.64 -1.26 -3.94 116.55 124.68 2wwq n ASP 91 Ca -0.10 -2.98 -0.09 0.00 -1.38 0.00 0.00 54.79 50.24 2wwq n ASP 91 Cb 0.50 1.14 0.02 0.00 -1.04 0.00 0.00 41.12 41.74 2wwq n ASP 91 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2wwq h LEU 92 N 0.00 0.95 -2.02 -2.67 5.85 -1.81 -2.82 115.31 112.79 2wwq h LEU 92 Ca -0.26 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2wwq h LEU 92 Cb 1.10 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2wwq h LEU 92 CO 0.40 1.00 0.00 0.59 -0.34 0.00 0.00 178.44 180.09 2wwq n ASN 93 N -4.28 2.94 -0.09 1.25 3.02 -1.26 -2.71 115.26 114.14 2wwq n ASN 93 Ca 0.02 -1.99 -0.09 0.00 -0.03 0.00 0.00 54.58 52.49 2wwq n ASN 93 Cb 0.30 -0.35 -0.13 0.00 -0.61 0.00 0.00 39.78 39.00 2wwq n ASN 93 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2wwq n THR 94 N 1.11 1.15 1.25 3.41 -1.04 -1.18 -4.13 114.28 114.85 2wwq n THR 94 Ca 0.19 -0.66 0.12 0.00 -2.04 0.00 0.00 64.05 61.66 2wwq n THR 94 Cb 0.47 -0.68 0.40 0.00 -1.82 0.00 0.00 70.33 68.70 2wwq n THR 94 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wwq n LEU 95 N -2.70 1.86 0.11 -4.42 4.77 -1.07 -2.10 117.00 113.44 2wwq n LEU 95 Ca -0.29 -0.70 -0.13 0.00 -0.03 0.00 0.00 56.01 54.86 2wwq n LEU 95 Cb 1.02 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.99 2wwq n LEU 95 CO 0.33 0.35 0.69 0.11 -1.33 0.00 0.00 177.39 177.54 2wwq h LYS 96 N 2.68 -0.44 -0.04 3.23 1.57 -1.69 -3.13 116.57 118.74 2wwq h LYS 96 Ca 0.00 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2wwq h LYS 96 Cb 0.58 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2wwq h LYS 96 CO 0.00 -0.30 0.11 0.00 -0.57 0.00 0.00 179.45 178.69 2wwq h ALA 97 N 0.28 1.33 -0.23 3.86 0.00 -1.66 -2.02 119.26 120.81 2wwq h ALA 97 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wwq h ALA 97 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wwq h ALA 97 CO -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2wwq n ALA 98 N -2.14 2.80 -3.28 0.00 0.00 -1.21 -4.94 120.51 111.73 2wwq n ALA 98 Ca -0.02 -0.61 -0.20 0.00 0.00 0.00 0.00 53.44 52.61 2wwq n ALA 98 Cb 0.19 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.62 2wwq n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wwq n ASN 99 N 0.25 -3.48 0.00 0.00 3.02 -0.76 -4.90 115.26 109.39 2wwq n ASN 99 Ca 0.10 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2wwq n ASN 99 Cb 0.46 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 2wwq n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wwq n ILE 100 N -1.60 0.00 -4.04 2.41 3.06 -1.24 -5.06 119.36 112.88 2wwq n ILE 100 Ca -0.20 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.75 2wwq n ILE 100 Cb 0.49 0.07 -0.16 0.00 0.54 0.00 0.00 39.64 40.58 2wwq n ILE 100 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2wwq s ILE 101 N 0.00 1.72 0.56 9.51 -1.09 -1.19 -5.03 121.20 125.68 2wwq s ILE 101 Ca 0.00 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 57.71 2wwq s ILE 101 Cb 0.00 -1.63 0.08 0.00 -1.58 0.00 0.00 42.46 39.33 2wwq s ILE 101 CO 0.00 0.42 0.78 -0.83 -1.23 0.00 0.00 174.94 174.08 2wwq s GLY 102 N 1.42 1.78 0.35 6.18 0.00 -1.26 -4.15 107.32 111.63 2wwq s GLY 102 Ca 0.04 -1.96 0.06 0.00 0.00 0.00 0.00 44.72 42.87 2wwq s GLY 102 CO -0.11 -1.54 1.86 -2.22 0.00 0.00 0.00 173.10 171.09 2wwq h ILE 103 N 0.16 1.21 0.00 0.90 1.08 -1.99 -2.00 117.51 116.87 2wwq h ILE 103 Ca -0.33 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 2wwq h ILE 103 Cb 1.28 1.18 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 2wwq h ILE 103 CO 0.42 0.29 -0.67 0.00 -0.69 0.00 0.00 178.15 177.51 2wwq n GLN 104 N -4.23 0.01 -2.48 2.37 6.02 -1.26 -4.76 117.38 113.05 2wwq n GLN 104 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 2wwq n GLN 104 Cb 0.30 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 2wwq n GLN 104 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2wwq s ILE 105 N -3.01 3.93 0.00 5.09 -1.09 -0.75 -4.78 121.20 120.58 2wwq s ILE 105 Ca 0.10 1.55 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 2wwq s ILE 105 Cb 0.17 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2wwq s ILE 105 CO 0.75 0.21 0.00 -0.62 -1.23 0.00 0.00 174.94 174.05 2wwq n GLU 106 N 2.96 0.37 -4.32 2.79 -0.58 -0.98 -4.66 120.64 116.22 2wwq n GLU 106 Ca 0.05 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.62 2wwq n GLU 106 Cb 0.46 -0.77 -0.10 0.00 -0.57 0.00 0.00 31.44 30.46 2wwq n GLU 106 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2wwq s PHE 107 N -1.53 1.52 -0.12 -0.32 0.40 -1.14 -5.04 117.98 111.75 2wwq s PHE 107 Ca 0.00 -0.84 -0.30 0.00 -0.60 0.00 0.00 56.93 55.19 2wwq s PHE 107 Cb 0.00 -0.84 0.12 0.00 0.51 0.00 0.00 43.02 42.81 2wwq s PHE 107 CO 0.00 0.04 0.96 0.00 0.70 0.00 0.00 175.22 176.92 2wwq s ALA 108 N -3.34 -1.90 -0.02 5.36 0.00 -1.26 -2.25 121.76 118.36 2wwq s ALA 108 Ca 0.25 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.67 2wwq s ALA 108 Cb 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2wwq s ALA 108 CO 0.07 -0.40 -0.00 0.15 0.00 0.00 0.00 175.76 175.57 2wwq s LYS 109 N -1.56 2.80 -0.27 0.00 1.02 -0.52 -1.42 119.74 119.78 2wwq s LYS 109 Ca -0.01 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.22 2wwq s LYS 109 Cb -0.01 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 2wwq s LYS 109 CO -0.00 0.64 0.53 0.08 -0.92 0.00 0.00 175.35 175.68 2wwq s VAL 110 N -1.04 5.05 0.12 3.17 1.01 -0.40 -1.39 120.40 126.91 2wwq s VAL 110 Ca 0.18 0.85 0.07 0.00 0.00 0.00 0.00 61.98 63.08 2wwq s VAL 110 Cb -0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2wwq s VAL 110 CO 0.09 0.04 -0.05 -0.63 0.00 0.00 0.00 175.10 174.54 2wwq s ILE 111 N 2.36 3.60 0.45 2.22 -1.09 -0.28 -2.17 121.20 126.28 2wwq s ILE 111 Ca 0.22 -1.24 -0.25 0.00 -2.23 0.00 0.00 60.65 57.15 2wwq s ILE 111 Cb -0.16 -2.72 -0.08 0.00 -1.58 0.00 0.00 42.46 37.93 2wwq s ILE 111 CO 0.10 0.06 1.32 -0.22 -1.23 0.00 0.00 174.94 174.97 2wwq s LEU 112 N -2.41 4.10 0.00 2.97 2.96 -1.26 -0.38 118.68 124.67 2wwq s LEU 112 Ca 0.24 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 2wwq s LEU 112 Cb -0.11 -4.02 0.00 0.00 0.50 0.00 0.00 46.19 42.56 2wwq s LEU 112 CO 0.16 -1.06 0.00 0.00 -1.32 0.00 0.00 176.35 174.13 2wwq n ALA 113 N -0.23 0.00 -1.44 5.97 0.00 -1.26 -4.72 120.51 118.83 2wwq n ALA 113 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.67 2wwq n ALA 113 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 2wwq n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwq n GLY 114 N 0.00 -3.35 3.74 0.00 0.00 -1.26 -2.73 105.19 101.59 2wwq n GLY 114 Ca 0.00 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 2wwq n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wwq s GLU 115 N -4.24 4.40 -0.00 1.61 2.56 -1.26 -4.12 118.70 117.66 2wwq s GLU 115 Ca 0.00 0.84 -0.24 0.00 0.00 0.00 0.00 54.97 55.58 2wwq s GLU 115 Cb 0.00 -3.39 -0.13 0.00 2.00 0.00 0.00 34.13 32.61 2wwq s GLU 115 CO 0.00 0.22 0.98 -0.24 -0.56 0.00 0.00 175.26 175.65 2wwq h VAL 116 N 4.41 0.02 0.00 3.70 3.04 -1.89 -3.44 116.25 122.08 2wwq h VAL 116 Ca -0.43 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2wwq h VAL 116 Cb 1.20 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2wwq h VAL 116 CO 0.72 0.00 0.00 0.41 -1.01 0.00 0.00 177.57 177.70 2wwq n THR 117 N -5.33 0.00 -2.52 3.17 -1.04 -1.26 -4.78 114.28 102.52 2wwq n THR 117 Ca -0.10 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.52 2wwq n THR 117 Cb 0.33 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.80 2wwq n THR 117 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wwq s THR 118 N -0.60 3.62 -0.06 12.58 2.01 -1.26 -4.89 115.64 127.04 2wwq s THR 118 Ca 0.00 1.40 -0.27 0.00 0.31 0.00 0.00 61.69 63.13 2wwq s THR 118 Cb 0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2wwq s THR 118 CO 0.00 0.16 0.87 -2.16 -0.69 0.00 0.00 174.62 172.80 2wwq s PRO 119 N -2.05 4.46 0.11 4.92 0.04 -1.26 -4.86 135.00 136.37 2wwq s PRO 119 Ca 0.52 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 2wwq s PRO 119 Cb -0.26 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 2wwq s PRO 119 CO 0.33 -0.09 0.06 0.14 0.04 0.00 0.00 177.00 177.49 2wwq s VAL 120 N 1.25 0.14 -0.23 -0.36 -7.23 -1.26 -4.43 120.40 108.27 2wwq s VAL 120 Ca 0.45 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2wwq s VAL 120 Cb -0.19 -1.82 0.06 0.00 0.56 0.00 0.00 36.38 34.99 2wwq s VAL 120 CO 0.21 -0.62 -0.05 0.42 -0.31 0.00 0.00 175.10 174.75 2wwq s THR 121 N -3.99 1.51 -0.17 5.32 -4.23 -1.21 -1.97 115.64 110.90 2wwq s THR 121 Ca 0.17 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2wwq s THR 121 Cb 0.07 -1.77 0.18 0.00 1.34 0.00 0.00 72.50 72.32 2wwq s THR 121 CO -0.03 -0.09 1.60 1.33 -0.54 0.00 0.00 174.62 176.89 2wwq n VAL 122 N 4.68 2.04 -1.67 2.29 0.24 -1.25 -4.01 118.33 120.65 2wwq n VAL 122 Ca -0.12 -0.88 -0.45 0.00 -2.04 0.00 0.00 64.34 60.85 2wwq n VAL 122 Cb 0.44 -1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 31.71 2wwq n VAL 122 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wwq n ARG 123 N 0.31 2.07 -0.75 7.34 5.12 -1.25 -2.68 116.66 126.82 2wwq n ARG 123 Ca 0.19 0.74 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 2wwq n ARG 123 Cb 0.73 -2.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 2wwq n ARG 123 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wwq n GLY 124 N 2.39 0.79 2.91 -0.13 0.00 -1.26 -4.05 105.19 105.83 2wwq n GLY 124 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2wwq n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwq s LEU 125 N 0.00 1.89 0.70 0.99 2.01 -1.09 -4.59 118.68 118.59 2wwq s LEU 125 Ca 0.00 -0.05 -0.11 0.00 0.01 0.00 0.00 54.13 53.98 2wwq s LEU 125 Cb 0.00 -0.17 0.01 0.00 0.01 0.00 0.00 46.19 46.04 2wwq s LEU 125 CO 0.00 0.02 1.07 -0.13 1.01 0.00 0.00 176.35 178.32 2wwq s ARG 126 N 0.08 2.82 0.03 1.70 0.52 -0.51 -4.90 118.95 118.69 2wwq s ARG 126 Ca -0.00 1.03 -0.20 0.00 -0.52 0.00 0.00 55.73 56.04 2wwq s ARG 126 Cb -0.03 -1.97 0.04 0.00 0.52 0.00 0.00 34.95 33.51 2wwq s ARG 126 CO -0.00 -1.20 0.45 0.54 0.02 0.00 0.00 175.30 175.11 2wwq s VAL 127 N -2.94 0.04 0.33 3.52 0.11 -1.26 -1.27 120.40 118.93 2wwq s VAL 127 Ca 0.59 -0.37 0.07 0.00 -2.93 0.00 0.00 61.98 59.35 2wwq s VAL 127 Cb -0.15 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 2wwq s VAL 127 CO 0.53 -0.20 0.38 0.42 -3.33 0.00 0.00 175.10 172.90 2wwq s THR 128 N -2.15 3.81 0.22 5.04 -4.23 -0.92 -4.89 115.64 112.52 2wwq s THR 128 Ca -0.07 -1.19 0.27 0.00 -1.18 0.00 0.00 61.69 59.52 2wwq s THR 128 Cb -0.01 -3.30 0.28 0.00 1.34 0.00 0.00 72.50 70.80 2wwq s THR 128 CO 0.00 -0.17 1.93 0.07 -0.54 0.00 0.00 174.62 175.91 2wwq h LYS 129 N 1.08 0.00 0.00 3.99 2.10 -1.99 -1.47 116.57 120.28 2wwq h LYS 129 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2wwq h LYS 129 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2wwq h LYS 129 CO 0.56 0.16 -1.42 0.41 -2.00 0.00 0.00 179.45 177.16 2wwq n GLY 130 N -0.11 -0.72 0.16 0.07 0.00 -1.26 -3.70 105.19 99.63 2wwq n GLY 130 Ca -0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 2wwq n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq h ALA 131 N 1.89 0.67 0.00 4.61 0.00 -1.84 -2.51 119.26 122.09 2wwq h ALA 131 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2wwq h ALA 131 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wwq h ALA 131 CO 0.00 0.79 -0.06 0.07 0.00 0.00 0.00 179.25 180.05 2wwq h ARG 132 N 0.19 0.00 -0.53 0.00 0.11 -1.42 -3.19 114.38 109.54 2wwq h ARG 132 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2wwq h ARG 132 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2wwq h ARG 132 CO 0.12 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.19 2wwq n ALA 133 N -1.87 2.34 0.51 0.08 0.00 -1.18 -3.10 120.51 117.29 2wwq n ALA 133 Ca 0.05 -1.28 0.11 0.00 0.00 0.00 0.00 53.44 52.33 2wwq n ALA 133 Cb 0.46 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2wwq n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 134 N 1.01 3.34 -0.43 0.00 0.00 -0.95 -2.70 120.51 120.78 2wwq n ALA 134 Ca 0.18 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.28 2wwq n ALA 134 Cb 0.55 -0.96 0.17 0.00 0.00 0.00 0.00 19.45 19.21 2wwq n ALA 134 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2wwq n ILE 135 N -2.02 1.41 -0.13 0.00 -5.35 -1.21 -2.62 119.36 109.44 2wwq n ILE 135 Ca 0.01 -1.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 2wwq n ILE 135 Cb 0.45 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 2wwq n ILE 135 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wwq n GLU 136 N 0.03 0.50 0.05 6.28 1.02 -1.18 -3.54 120.64 123.80 2wwq n GLU 136 Ca 0.13 -0.34 -0.17 0.00 -0.02 0.00 0.00 57.16 56.76 2wwq n GLU 136 Cb 0.55 -0.82 -0.14 0.00 -0.02 0.00 0.00 31.44 31.01 2wwq n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wwq h ALA 137 N 0.00 0.34 -4.03 0.62 0.00 -1.59 -3.48 119.26 111.12 2wwq h ALA 137 Ca 0.00 -1.19 -0.15 0.00 0.00 0.00 0.00 54.91 53.56 2wwq h ALA 137 Cb 0.06 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2wwq h ALA 137 CO 0.00 1.20 -0.12 0.00 0.00 0.00 0.00 179.25 180.33 2wwq n ALA 138 N -2.72 0.13 -1.77 0.00 0.00 -1.08 -5.07 120.51 110.01 2wwq n ALA 138 Ca -0.20 -0.55 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 2wwq n ALA 138 Cb 1.05 0.34 -0.04 0.00 0.00 0.00 0.00 19.45 20.80 2wwq n ALA 138 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wwq s GLY 139 N -1.67 2.88 0.00 0.00 0.00 -1.26 -4.48 107.32 102.79 2wwq s GLY 139 Ca 0.03 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.59 2wwq s GLY 139 CO 0.02 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.08 2wwq n GLY 140 N 0.71 -0.11 3.25 0.20 0.00 -1.23 -4.55 105.19 103.45 2wwq n GLY 140 Ca 0.03 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2wwq n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wwq s LYS 141 N -2.00 0.44 -0.06 1.61 2.47 -0.83 -4.87 119.74 116.50 2wwq s LYS 141 Ca 0.00 0.45 -0.02 0.00 -1.56 0.00 0.00 55.97 54.83 2wwq s LYS 141 Cb 0.00 0.21 0.04 0.00 -1.46 0.00 0.00 37.83 36.62 2wwq s LYS 141 CO 0.00 -0.06 0.12 -1.50 0.16 0.00 0.00 175.35 174.07 2wwq s ILE 142 N 0.07 -0.08 0.00 5.43 1.10 -1.26 -3.97 121.20 122.49 2wwq s ILE 142 Ca -0.01 0.22 0.00 0.00 -0.51 0.00 0.00 60.65 60.35 2wwq s ILE 142 Cb -0.03 -0.21 0.00 0.00 0.15 0.00 0.00 42.46 42.38 2wwq s ILE 142 CO 0.01 0.09 0.00 -1.84 -2.11 0.00 0.00 174.94 171.09 2wwq n GLU 143 N 4.37 0.00 0.00 3.50 0.28 -1.26 -5.12 120.64 122.41 2wwq n GLU 143 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 2wwq n GLU 143 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 2wwq n GLU 143 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06