#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhw s THR 3 N 0.00 -0.19 -0.16 -0.44 -1.32 -1.26 -4.18 115.64 108.08 3fhw s THR 3 Ca 0.00 0.32 -0.04 0.00 -1.21 0.00 0.00 61.69 60.75 3fhw s THR 3 Cb 0.00 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 3fhw s THR 3 CO 0.00 0.13 -0.02 -0.22 -2.21 0.00 0.00 174.62 172.30 3fhw s LEU 4 N 1.98 3.29 -0.16 9.08 2.96 0.60 -4.96 118.68 131.46 3fhw s LEU 4 Ca -0.00 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3fhw s LEU 4 Cb -0.12 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3fhw s LEU 4 CO -0.05 0.15 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.43 3fhw s GLU 5 N 0.46 3.44 -0.03 1.98 2.02 -1.26 -1.55 118.70 123.75 3fhw s GLU 5 Ca -0.03 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 3fhw s GLU 5 Cb -0.14 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.31 3fhw s GLU 5 CO 0.03 0.10 0.07 -1.17 0.02 0.00 0.00 175.26 174.30 3fhw s LEU 6 N 0.68 1.26 -0.01 1.80 2.96 -0.14 -5.01 118.68 120.23 3fhw s LEU 6 Ca -0.04 0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.80 3fhw s LEU 6 Cb -0.15 0.14 -0.05 0.00 0.50 0.00 0.00 46.19 46.63 3fhw s LEU 6 CO 0.02 -0.09 0.58 -0.94 -1.32 0.00 0.00 176.35 174.60 3fhw s SER 7 N 0.70 6.96 0.16 3.68 1.04 -1.26 -0.74 113.70 124.23 3fhw s SER 7 Ca -0.06 1.14 -0.19 0.00 0.48 0.00 0.00 55.95 57.33 3fhw s SER 7 Cb -0.08 -2.36 0.04 0.00 0.10 0.00 0.00 66.02 63.73 3fhw s SER 7 CO -0.03 0.11 0.50 0.00 0.98 0.00 0.00 173.24 174.81 3fhw s ALA 8 N -0.23 -1.13 0.08 5.32 0.00 -1.26 -4.51 121.76 120.02 3fhw s ALA 8 Ca 0.30 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.40 3fhw s ALA 8 Cb -0.18 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3fhw s ALA 8 CO 0.17 -0.74 -0.19 1.03 0.00 0.00 0.00 175.76 176.03 3fhw s ARG 9 N -3.81 1.90 -0.24 0.00 0.52 0.05 -4.43 118.95 112.93 3fhw s ARG 9 Ca 0.04 -1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 3fhw s ARG 9 Cb 0.00 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.34 3fhw s ARG 9 CO -0.09 0.51 1.18 0.08 0.02 0.00 0.00 175.30 177.00 3fhw s VAL 10 N -1.01 4.39 -0.17 3.52 1.01 -0.59 -1.31 120.40 126.23 3fhw s VAL 10 Ca 0.16 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.85 3fhw s VAL 10 Cb -0.10 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 31.86 3fhw s VAL 10 CO 0.07 -0.29 0.15 -0.11 0.00 0.00 0.00 175.10 174.92 3fhw n LEU 11 N 6.82 1.67 -3.86 3.92 0.00 0.35 -0.34 117.00 125.56 3fhw n LEU 11 Ca 0.13 0.08 -0.12 0.00 0.00 0.00 0.00 56.01 56.10 3fhw n LEU 11 Cb 0.46 -0.36 -0.13 0.00 0.00 0.00 0.00 43.42 43.39 3fhw n LEU 11 CO 0.57 0.69 -0.32 -1.61 0.00 0.00 0.00 177.39 176.73 3fhw s GLU 12 N -2.53 0.06 -0.12 1.96 2.02 -1.06 -4.88 118.70 114.15 3fhw s GLU 12 Ca -0.20 0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.82 3fhw s GLU 12 Cb 0.07 0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.36 3fhw s GLU 12 CO 0.74 -0.01 -0.11 0.00 0.02 0.00 0.00 175.26 175.90 3fhw s GLY 14 N 1.50 1.57 0.00 0.00 0.00 0.22 -4.99 107.32 105.62 3fhw s GLY 14 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3fhw s GLY 14 CO -0.08 0.14 0.00 0.00 0.00 0.00 0.00 173.10 173.16 3fhw n ALA 15 N -4.33 0.00 0.00 3.20 0.00 -1.26 -4.73 120.51 113.39 3fhw n ALA 15 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3fhw n ALA 15 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3fhw n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fhw n ARG 17 N 0.00 -1.37 -3.96 0.00 1.74 0.72 -4.71 116.66 109.08 3fhw n ARG 17 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3fhw n ARG 17 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 3fhw n ARG 17 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fhw s HIS 18 N -2.82 0.26 0.66 -1.55 3.76 -1.26 -1.01 115.29 113.32 3fhw s HIS 18 Ca 0.00 -0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 54.22 3fhw s HIS 18 Cb 0.00 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 3fhw s HIS 18 CO 0.00 -0.31 1.05 0.95 -0.85 0.00 0.00 174.74 175.58 3fhw s THR 19 N -2.40 4.16 0.56 1.30 -4.23 0.61 -4.81 115.64 110.82 3fhw s THR 19 Ca -0.07 0.74 0.31 0.00 -1.18 0.00 0.00 61.69 61.49 3fhw s THR 19 Cb -0.03 -3.50 0.45 0.00 1.34 0.00 0.00 72.50 70.76 3fhw s THR 19 CO -0.04 -0.87 1.86 -0.65 -0.54 0.00 0.00 174.62 174.38 3fhw h PRO 20 N -0.46 0.00 -0.14 3.99 0.11 -2.02 0.20 132.00 133.68 3fhw h PRO 20 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fhw h PRO 20 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fhw h PRO 20 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3fhw n ALA 21 N -2.58 2.53 -0.50 -0.75 0.00 -1.26 -4.92 120.51 113.03 3fhw n ALA 21 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3fhw n ALA 21 Cb 0.91 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3fhw n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhw n GLY 22 N 1.05 0.75 3.76 0.00 0.00 0.71 -5.07 105.19 106.39 3fhw n GLY 22 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3fhw n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fhw s LEU 23 N 0.00 4.63 0.25 0.99 2.96 -1.26 -4.76 118.68 121.49 3fhw s LEU 23 Ca 0.00 1.88 -0.30 0.00 -0.22 0.00 0.00 54.13 55.49 3fhw s LEU 23 Cb 0.00 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.01 3fhw s LEU 23 CO 0.00 0.17 1.08 -2.65 -1.32 0.00 0.00 176.35 173.62 3fhw n PRO 24 N 1.54 1.31 -3.83 0.98 -0.02 -1.26 -0.28 135.00 133.43 3fhw n PRO 24 Ca -0.03 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3fhw n PRO 24 Cb 0.47 -1.88 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 3fhw n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fhw s ALA 25 N -0.70 -0.26 -0.06 3.55 0.00 -0.18 -1.04 121.76 123.07 3fhw s ALA 25 Ca 0.64 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 3fhw s ALA 25 Cb -0.75 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3fhw s ALA 25 CO 0.57 -0.06 0.13 -1.17 0.00 0.00 0.00 175.76 175.22 3fhw s LEU 26 N 0.17 0.99 -0.13 0.00 0.20 -0.52 -0.20 118.68 119.19 3fhw s LEU 26 Ca -0.01 0.26 -0.04 0.00 0.69 0.00 0.00 54.13 55.03 3fhw s LEU 26 Cb -0.02 0.34 -0.03 0.00 -0.43 0.00 0.00 46.19 46.05 3fhw s LEU 26 CO -0.00 -0.12 0.02 -1.61 -0.29 0.00 0.00 176.35 174.35 3fhw s GLU 27 N 0.84 3.47 0.18 1.98 2.02 -1.26 -1.36 118.70 124.57 3fhw s GLU 27 Ca -0.06 -0.39 0.11 0.00 0.02 0.00 0.00 54.97 54.64 3fhw s GLU 27 Cb -0.08 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 3fhw s GLU 27 CO -0.04 0.48 -0.23 -0.51 0.02 0.00 0.00 175.26 174.98 3fhw s LEU 28 N -0.24 2.42 -0.21 1.80 1.02 0.63 -0.61 118.68 123.48 3fhw s LEU 28 Ca 0.06 -0.85 -0.06 0.00 0.02 0.00 0.00 54.13 53.30 3fhw s LEU 28 Cb -0.12 -1.10 -0.03 0.00 0.02 0.00 0.00 46.19 44.97 3fhw s LEU 28 CO 0.02 0.09 0.03 -0.22 0.02 0.00 0.00 176.35 176.29 3fhw s LEU 29 N -2.61 3.37 -0.03 1.79 0.20 -0.20 -0.35 118.68 120.86 3fhw s LEU 29 Ca 0.19 -0.18 0.06 0.00 0.69 0.00 0.00 54.13 54.89 3fhw s LEU 29 Cb -0.08 -1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 3fhw s LEU 29 CO 0.09 0.04 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.23 3fhw s LEU 30 N 1.15 2.44 -0.10 -0.68 1.43 0.29 -0.49 118.68 122.71 3fhw s LEU 30 Ca 0.03 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3fhw s LEU 30 Cb -0.14 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 3fhw s LEU 30 CO 0.02 0.33 -0.17 0.54 0.23 0.00 0.00 176.35 177.29 3fhw s VAL 31 N -0.70 2.68 -0.11 -1.59 0.11 -0.43 -0.53 120.40 119.83 3fhw s VAL 31 Ca 0.11 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 3fhw s VAL 31 Cb -0.10 -2.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 3fhw s VAL 31 CO 0.00 0.55 -0.13 -2.28 -3.33 0.00 0.00 175.10 169.91 3fhw s HIS 32 N 0.15 2.80 -0.06 1.54 5.04 0.16 -0.77 115.29 124.15 3fhw s HIS 32 Ca -0.09 -0.54 -0.01 0.00 -1.54 0.00 0.00 55.06 52.88 3fhw s HIS 32 Cb -0.16 -1.80 0.03 0.00 0.04 0.00 0.00 32.58 30.69 3fhw s HIS 32 CO 0.06 -0.13 0.01 -1.21 -2.34 0.00 0.00 174.74 171.13 3fhw s GLU 33 N 0.13 0.46 0.36 2.88 2.02 -1.26 -0.39 118.70 122.90 3fhw s GLU 33 Ca -0.06 0.14 -0.14 0.00 0.02 0.00 0.00 54.97 54.92 3fhw s GLU 33 Cb -0.15 -0.81 0.04 0.00 0.10 0.00 0.00 34.13 33.31 3fhw s GLU 33 CO 0.05 -0.27 0.73 -1.54 0.02 0.00 0.00 175.26 174.24 3fhw s SER 34 N 1.81 0.11 -0.04 -0.19 1.04 -0.15 -5.02 113.70 111.26 3fhw s SER 34 Ca 0.02 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.39 3fhw s SER 34 Cb -0.12 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 3fhw s SER 34 CO -0.04 -1.58 -0.25 -1.61 0.98 0.00 0.00 173.24 170.74 3fhw s GLU 35 N -2.67 2.28 0.46 4.02 2.02 -1.26 0.42 118.70 123.97 3fhw s GLU 35 Ca 0.17 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.27 3fhw s GLU 35 Cb -0.04 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 3fhw s GLU 35 CO 0.12 0.47 0.06 1.33 0.02 0.00 0.00 175.26 177.26 3fhw n VAL 36 N 2.67 0.00 -3.66 2.63 0.24 0.71 -4.87 118.33 116.05 3fhw n VAL 36 Ca -0.17 -2.36 -0.38 0.00 -2.04 0.00 0.00 64.34 59.39 3fhw n VAL 36 Cb 0.51 0.62 -0.12 0.00 -1.47 0.00 0.00 33.84 33.39 3fhw n VAL 36 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3fhw s VAL 37 N -2.91 4.67 -0.29 3.34 1.01 -1.26 -1.03 120.40 123.93 3fhw s VAL 37 Ca 0.08 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3fhw s VAL 37 Cb 0.00 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 33.14 3fhw s VAL 37 CO 0.06 0.15 -0.01 -0.70 0.00 0.00 0.00 175.10 174.59 3fhw s GLU 38 N 1.64 1.61 -0.22 2.72 2.12 -1.26 -5.01 118.70 120.30 3fhw s GLU 38 Ca 0.05 -1.40 -0.35 0.00 0.36 0.00 0.00 54.97 53.63 3fhw s GLU 38 Cb -0.16 -2.81 -0.11 0.00 0.26 0.00 0.00 34.13 31.30 3fhw s GLU 38 CO 0.07 -0.76 2.01 0.00 -0.54 0.00 0.00 175.26 176.03 3fhw n ALA 39 N 4.49 0.89 0.00 6.30 0.00 -1.26 -4.99 120.51 125.94 3fhw n ALA 39 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3fhw n ALA 39 Cb 0.43 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.35 3fhw n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhw n GLY 40 N 5.26 -0.34 0.00 0.00 0.00 -1.26 -5.35 105.19 103.50 3fhw n GLY 40 Ca 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3fhw n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fhw n ARG 43 N 1.13 0.00 -3.35 1.61 1.85 -0.20 -5.13 116.66 112.58 3fhw n ARG 43 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 3fhw n ARG 43 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 3fhw n ARG 43 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3fhw s ARG 44 N -2.55 4.24 -0.10 2.89 3.52 -1.26 -0.21 118.95 125.48 3fhw s ARG 44 Ca 0.00 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.10 3fhw s ARG 44 Cb 0.00 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3fhw s ARG 44 CO 0.00 0.32 -0.21 0.54 -0.81 0.00 0.00 175.30 175.13 3fhw s VAL 45 N 0.10 1.86 -0.17 7.11 0.11 0.17 -4.95 120.40 124.63 3fhw s VAL 45 Ca 0.26 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 3fhw s VAL 45 Cb -0.16 -1.63 0.03 0.00 -1.53 0.00 0.00 36.38 33.09 3fhw s VAL 45 CO 0.12 0.52 -0.13 -1.83 -3.33 0.00 0.00 175.10 170.45 3fhw s GLU 46 N 0.48 2.19 -0.09 1.54 -1.05 -1.26 -0.98 118.70 119.54 3fhw s GLU 46 Ca -0.16 -0.66 0.02 0.00 -0.15 0.00 0.00 54.97 54.01 3fhw s GLU 46 Cb -0.17 -2.22 0.01 0.00 -0.44 0.00 0.00 34.13 31.31 3fhw s GLU 46 CO 0.06 -0.31 -0.13 -1.17 0.95 0.00 0.00 175.26 174.66 3fhw s LEU 47 N 1.46 1.64 -0.17 1.83 2.96 0.48 -4.98 118.68 121.89 3fhw s LEU 47 Ca 0.03 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 3fhw s LEU 47 Cb -0.14 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3fhw s LEU 47 CO -0.10 0.02 0.01 -0.89 -1.32 0.00 0.00 176.35 174.07 3fhw s THR 48 N 0.88 4.32 -0.06 3.68 2.01 -1.26 0.37 115.64 125.58 3fhw s THR 48 Ca -0.10 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 3fhw s THR 48 Cb -0.15 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.46 3fhw s THR 48 CO 0.01 0.48 0.15 -0.51 -0.69 0.00 0.00 174.62 174.05 3fhw s ILE 49 N 0.37 -0.02 0.26 1.82 2.07 0.31 -4.99 121.20 121.02 3fhw s ILE 49 Ca -0.01 0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.01 3fhw s ILE 49 Cb -0.13 -0.23 -0.09 0.00 0.13 0.00 0.00 42.46 42.14 3fhw s ILE 49 CO 0.02 0.03 0.97 -0.44 -1.91 0.00 0.00 174.94 173.60 3fhw s SER 50 N 0.50 7.51 0.04 4.50 0.01 -1.26 -0.54 113.70 124.45 3fhw s SER 50 Ca -0.03 1.99 0.05 0.00 1.31 0.00 0.00 55.95 59.26 3fhw s SER 50 Cb -0.05 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3fhw s SER 50 CO -0.02 0.06 -0.13 0.00 0.41 0.00 0.00 173.24 173.55 3fhw s ALA 51 N -1.25 1.09 -0.03 1.44 0.00 0.53 -1.33 121.76 122.20 3fhw s ALA 51 Ca 0.43 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3fhw s ALA 51 Cb -0.26 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3fhw s ALA 51 CO 0.32 0.19 -0.09 0.54 0.00 0.00 0.00 175.76 176.73 3fhw s VAL 52 N -0.89 0.80 -0.03 0.00 0.11 -0.03 -0.27 120.40 120.08 3fhw s VAL 52 Ca 0.00 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 3fhw s VAL 52 Cb -0.08 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 3fhw s VAL 52 CO 0.01 0.26 -0.16 0.00 -3.33 0.00 0.00 175.10 171.88 3fhw s ALA 53 N 0.36 2.61 0.17 1.54 0.00 -0.46 -0.84 121.76 125.14 3fhw s ALA 53 Ca -0.06 -1.02 0.11 0.00 0.00 0.00 0.00 51.96 50.99 3fhw s ALA 53 Cb -0.10 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3fhw s ALA 53 CO 0.01 0.56 -0.24 -0.51 0.00 0.00 0.00 175.76 175.58 3fhw s LEU 54 N -0.82 2.39 0.00 0.00 1.43 -1.26 -1.43 118.68 118.99 3fhw s LEU 54 Ca 0.12 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3fhw s LEU 54 Cb -0.11 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.99 3fhw s LEU 54 CO 0.01 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3fhw n GLY 55 N 0.50 1.54 0.26 -3.19 0.00 -0.21 -3.57 105.19 100.53 3fhw n GLY 55 Ca -0.15 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 3fhw n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fhw h ASP 56 N 5.13 0.52 -0.32 1.61 3.32 -1.97 -2.27 116.42 122.44 3fhw h ASP 56 Ca 0.00 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 3fhw h ASP 56 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3fhw h ASP 56 CO 0.00 0.66 -0.03 0.25 -1.72 0.00 0.00 179.24 178.40 3fhw h LEU 57 N 0.51 0.67 -0.37 1.55 5.85 -1.95 -0.73 115.31 120.83 3fhw h LEU 57 Ca 0.10 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3fhw h LEU 57 Cb 0.47 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3fhw h LEU 57 CO 0.03 0.76 0.24 0.00 -0.34 0.00 0.00 178.44 179.12 3fhw h ALA 58 N 1.32 0.48 -0.54 1.25 0.00 -1.51 -0.42 119.26 119.83 3fhw h ALA 58 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fhw h ALA 58 Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3fhw h ALA 58 CO 0.02 -0.04 0.27 -0.07 0.00 0.00 0.00 179.25 179.43 3fhw h LEU 59 N 0.50 0.70 -1.12 0.00 3.38 -1.04 -1.82 115.31 115.91 3fhw h LEU 59 Ca 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fhw h LEU 59 Cb -0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3fhw h LEU 59 CO -0.03 0.62 0.55 -0.07 0.09 0.00 0.00 178.44 179.61 3fhw h LEU 60 N 0.73 1.00 -0.21 1.67 3.38 -0.92 -2.86 115.31 118.10 3fhw h LEU 60 Ca 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3fhw h LEU 60 Cb 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3fhw h LEU 60 CO -0.03 0.74 -0.17 0.18 0.09 0.00 0.00 178.44 179.26 3fhw n LEU 61 N -4.39 0.49 -4.60 1.67 4.77 -0.19 -4.91 117.00 109.85 3fhw n LEU 61 Ca 0.10 0.03 -0.48 0.00 -0.03 0.00 0.00 56.01 55.63 3fhw n LEU 61 Cb 0.04 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 3fhw n LEU 61 CO 0.37 0.10 0.78 0.00 -1.33 0.00 0.00 177.39 177.30 3fhw n ALA 62 N -1.05 -0.29 -2.25 -1.18 0.00 -0.71 -2.37 120.51 112.65 3fhw n ALA 62 Ca 0.12 0.45 -0.19 0.00 0.00 0.00 0.00 53.44 53.81 3fhw n ALA 62 Cb 0.30 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 3fhw n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fhw n ASP 63 N 2.00 -5.54 -4.68 0.00 8.00 -1.26 -4.94 116.55 110.13 3fhw n ASP 63 Ca 0.14 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 3fhw n ASP 63 Cb 0.27 -4.60 -0.03 0.00 -0.02 0.00 0.00 41.12 36.74 3fhw n ASP 63 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fhw s THR 64 N -2.93 2.73 0.39 -3.53 2.01 -1.00 -4.92 115.64 108.39 3fhw s THR 64 Ca 0.00 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.79 3fhw s THR 64 Cb 0.00 -3.03 -0.11 0.00 0.01 0.00 0.00 72.50 69.37 3fhw s THR 64 CO 0.00 -0.00 1.32 -2.65 -0.69 0.00 0.00 174.62 172.60 3fhw n PRO 65 N 6.38 2.13 -1.87 4.92 -0.02 -1.26 -4.80 135.00 140.48 3fhw n PRO 65 Ca 0.18 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 62.01 3fhw n PRO 65 Cb 0.39 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3fhw n PRO 65 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fhw s LEU 66 N -1.61 4.35 0.00 2.45 1.43 -1.26 -2.65 118.68 121.39 3fhw s LEU 66 Ca 0.58 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.59 3fhw s LEU 66 Cb -0.52 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.05 3fhw s LEU 66 CO 0.60 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3fhw n GLY 67 N 1.30 1.67 3.68 -3.19 0.00 0.53 -4.99 105.19 104.19 3fhw n GLY 67 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3fhw n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fhw n THR 68 N -2.00 0.15 -2.83 2.61 -1.04 -1.08 -4.57 114.28 105.52 3fhw n THR 68 Ca 0.00 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.73 3fhw n THR 68 Cb 0.00 -1.78 0.01 0.00 -1.82 0.00 0.00 70.33 66.74 3fhw n THR 68 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3fhw s GLU 69 N 1.73 3.19 -0.12 -2.82 2.02 -1.26 -1.55 118.70 119.89 3fhw s GLU 69 Ca 0.81 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.60 3fhw s GLU 69 Cb -0.61 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.18 3fhw s GLU 69 CO 0.38 -0.30 -0.12 -0.65 0.02 0.00 0.00 175.26 174.60 3fhw s GLN 71 N -4.67 1.92 0.24 1.61 -1.52 0.35 -0.95 119.66 116.65 3fhw s GLN 71 Ca 0.48 -0.42 0.10 0.00 -1.95 0.00 0.00 55.36 53.57 3fhw s GLN 71 Cb -0.10 -1.79 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 3fhw s GLN 71 CO 0.41 -0.19 -0.18 0.14 -0.25 0.00 0.00 175.29 175.22 3fhw s VAL 72 N 1.39 2.16 -0.05 1.09 -7.23 0.08 -1.07 120.40 116.77 3fhw s VAL 72 Ca 0.01 -2.27 -0.07 0.00 -1.81 0.00 0.00 61.98 57.84 3fhw s VAL 72 Cb -0.13 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.67 3fhw s VAL 72 CO -0.06 -0.43 0.19 -1.58 -0.31 0.00 0.00 175.10 172.90 3fhw s GLN 73 N -3.41 0.32 0.00 4.82 -0.44 -0.31 -0.96 119.66 119.67 3fhw s GLN 73 Ca 0.25 0.08 0.00 0.00 -2.50 0.00 0.00 55.36 53.19 3fhw s GLN 73 Cb -0.04 0.15 0.00 0.00 -1.64 0.00 0.00 33.01 31.48 3fhw s GLN 73 CO 0.11 -0.06 0.00 0.41 0.50 0.00 0.00 175.29 176.25 3fhw n GLY 74 N 2.49 -1.04 3.82 2.59 0.00 -0.60 -0.35 105.19 112.11 3fhw n GLY 74 Ca -0.16 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 3fhw n GLY 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fhw s PHE 75 N -3.00 3.29 0.11 1.61 -0.12 -0.72 -0.29 117.98 118.85 3fhw s PHE 75 Ca 0.00 0.12 -0.14 0.00 -0.05 0.00 0.00 56.93 56.86 3fhw s PHE 75 Cb 0.00 -1.65 -0.07 0.00 -0.63 0.00 0.00 43.02 40.67 3fhw s PHE 75 CO 0.00 0.54 0.51 -0.51 -0.05 0.00 0.00 175.22 175.71 3fhw s LEU 76 N -2.49 4.39 -0.01 -1.99 1.43 -1.26 0.07 118.68 118.81 3fhw s LEU 76 Ca 0.31 1.05 -0.18 0.00 -1.03 0.00 0.00 54.13 54.28 3fhw s LEU 76 Cb -0.12 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.04 3fhw s LEU 76 CO 0.24 0.17 0.38 0.00 0.23 0.00 0.00 176.35 177.37 3fhw s ALA 77 N -1.35 -0.97 0.63 4.21 0.00 -0.63 -4.95 121.76 118.68 3fhw s ALA 77 Ca 0.34 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 3fhw s ALA 77 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3fhw s ALA 77 CO 0.18 -0.31 1.27 -1.25 0.00 0.00 0.00 175.76 175.66 3fhw s PRO 78 N -1.48 2.70 0.39 0.00 0.04 -1.26 -0.03 135.00 135.36 3fhw s PRO 78 Ca -0.12 2.00 0.09 0.00 0.04 0.00 0.00 61.00 63.01 3fhw s PRO 78 Cb -0.04 -1.89 0.80 0.00 0.04 0.00 0.00 34.50 33.42 3fhw s PRO 78 CO 0.04 -1.47 1.95 0.00 0.04 0.00 0.00 177.00 177.56 3fhw h ALA 79 N 0.69 1.55 -2.72 8.56 0.00 -0.73 -3.43 119.26 123.18 3fhw h ALA 79 Ca -0.51 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.33 3fhw h ALA 79 Cb 1.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3fhw h ALA 79 CO 0.54 0.33 0.42 -0.98 0.00 0.00 0.00 179.25 179.55 3fhw s ARG 80 N -4.91 1.68 0.11 0.00 1.70 -1.26 -5.05 118.95 111.22 3fhw s ARG 80 Ca -0.06 -1.04 -0.34 0.00 -0.47 0.00 0.00 55.73 53.82 3fhw s ARG 80 Cb 0.16 0.49 -0.13 0.00 -0.57 0.00 0.00 34.95 34.90 3fhw s ARG 80 CO 0.73 -0.78 1.65 1.17 -1.08 0.00 0.00 175.30 176.99 3fhw n LYS 81 N -0.57 2.19 -1.11 3.89 4.81 -1.26 -1.10 118.16 125.00 3fhw n LYS 81 Ca -0.06 0.79 -0.04 0.00 -0.87 0.00 0.00 58.31 58.14 3fhw n LYS 81 Cb 0.60 -2.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.05 3fhw n LYS 81 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3fhw n ASP 82 N 4.14 -5.69 -4.77 3.14 8.00 -1.26 -4.97 116.55 115.15 3fhw n ASP 82 Ca 0.18 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.39 3fhw n ASP 82 Cb 0.29 -3.53 -0.02 0.00 -0.02 0.00 0.00 41.12 37.84 3fhw n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3fhw s SER 83 N -2.16 6.48 0.13 -2.24 0.15 -0.26 -4.93 113.70 110.88 3fhw s SER 83 Ca 0.00 2.40 0.24 0.00 0.70 0.00 0.00 55.95 59.29 3fhw s SER 83 Cb 0.00 -2.62 0.29 0.00 -1.71 0.00 0.00 66.02 61.98 3fhw s SER 83 CO 0.00 -0.71 1.28 1.62 1.20 0.00 0.00 173.24 176.63 3fhw h VAL 84 N 2.35 0.00 -3.35 4.45 3.04 -1.93 -3.45 116.25 117.37 3fhw h VAL 84 Ca -0.49 -0.57 -0.54 0.00 -1.01 0.00 0.00 66.70 64.09 3fhw h VAL 84 Cb 1.24 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 3fhw h VAL 84 CO 0.62 0.00 0.43 -0.75 -1.01 0.00 0.00 177.57 176.86 3fhw s LYS 85 N -3.20 4.52 0.23 4.17 2.20 -1.26 -4.99 119.74 121.42 3fhw s LYS 85 Ca 0.05 1.51 0.06 0.00 -0.36 0.00 0.00 55.97 57.23 3fhw s LYS 85 Cb 0.13 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 3fhw s LYS 85 CO 0.73 -0.11 0.23 0.14 -0.36 0.00 0.00 175.35 175.98 3fhw s VAL 86 N 1.07 4.71 -0.02 4.02 -7.23 -1.26 -0.03 120.40 121.65 3fhw s VAL 86 Ca 0.54 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 3fhw s VAL 86 Cb -0.23 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.20 3fhw s VAL 86 CO 0.28 -0.29 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.18 3fhw s LYS 87 N -3.73 0.63 -0.27 4.82 1.02 0.96 -4.39 119.74 118.78 3fhw s LYS 87 Ca 0.33 -0.17 -0.25 0.00 0.02 0.00 0.00 55.97 55.90 3fhw s LYS 87 Cb -0.09 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 3fhw s LYS 87 CO 0.26 0.04 0.86 -1.17 -0.92 0.00 0.00 175.35 174.42 3fhw s LEU 88 N 0.33 4.07 -0.59 3.17 2.96 -0.44 -1.61 118.68 126.56 3fhw s LEU 88 Ca -0.04 0.94 -0.21 0.00 -0.22 0.00 0.00 54.13 54.60 3fhw s LEU 88 Cb -0.08 -3.22 0.07 0.00 0.50 0.00 0.00 46.19 43.46 3fhw s LEU 88 CO -0.00 -0.60 0.82 -1.00 -1.32 0.00 0.00 176.35 174.25 3fhw s HIS 89 N 3.00 2.86 0.16 5.38 3.76 0.11 -0.85 115.29 129.70 3fhw s HIS 89 Ca 0.36 -0.54 -0.32 0.00 -0.15 0.00 0.00 55.06 54.41 3fhw s HIS 89 Cb -0.15 -4.01 -0.10 0.00 1.11 0.00 0.00 32.58 29.43 3fhw s HIS 89 CO 0.10 -1.37 1.61 -0.51 -0.85 0.00 0.00 174.74 173.72 3fhw s LEU 90 N 3.39 4.37 -0.04 0.89 1.43 -0.02 -1.76 118.68 126.94 3fhw s LEU 90 Ca 0.20 2.65 0.06 0.00 -1.03 0.00 0.00 54.13 56.00 3fhw s LEU 90 Cb -0.18 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 3fhw s LEU 90 CO 0.11 -0.86 0.06 0.00 0.23 0.00 0.00 176.35 175.90 3fhw n GLN 91 N 4.18 2.04 -3.88 1.70 6.02 0.52 -4.64 117.38 123.32 3fhw n GLN 91 Ca 0.14 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 57.00 3fhw n GLN 91 Cb 0.38 -1.16 -0.12 0.00 1.02 0.00 0.00 30.24 30.36 3fhw n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3fhw s GLN 92 N -2.26 0.20 -0.14 -1.09 -0.21 -0.68 -5.01 119.66 110.48 3fhw s GLN 92 Ca -0.03 -0.15 -0.10 0.00 0.02 0.00 0.00 55.36 55.10 3fhw s GLN 92 Cb 0.03 0.08 0.04 0.00 1.00 0.00 0.00 33.01 34.16 3fhw s GLN 92 CO 0.26 -0.04 0.35 0.00 -2.12 0.00 0.00 175.29 173.74 3fhw s ALA 93 N -0.54 -0.86 -0.01 6.09 0.00 -1.26 -1.17 121.76 124.03 3fhw s ALA 93 Ca -0.06 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 3fhw s ALA 93 Cb -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3fhw s ALA 93 CO 0.00 -0.19 0.01 1.03 0.00 0.00 0.00 175.76 176.60 3fhw s ARG 94 N 0.67 -0.01 0.43 0.00 1.81 -0.23 -5.01 118.95 116.61 3fhw s ARG 94 Ca -0.04 0.05 -0.23 0.00 -1.72 0.00 0.00 55.73 53.78 3fhw s ARG 94 Cb -0.05 -0.06 -0.08 0.00 -0.45 0.00 0.00 34.95 34.30 3fhw s ARG 94 CO -0.04 -0.04 1.10 1.03 -0.68 0.00 0.00 175.30 176.66 3fhw s ARG 95 N 0.27 3.99 -0.88 3.54 0.52 -1.26 -0.49 118.95 124.64 3fhw s ARG 95 Ca -0.02 1.61 -0.25 0.00 -0.52 0.00 0.00 55.73 56.55 3fhw s ARG 95 Cb -0.03 -2.47 0.04 0.00 0.52 0.00 0.00 34.95 33.00 3fhw s ARG 95 CO -0.01 -0.32 1.36 0.42 0.02 0.00 0.00 175.30 176.78 3fhw s ILE 96 N -1.62 3.85 0.22 1.52 1.01 -0.12 -4.82 121.20 121.24 3fhw s ILE 96 Ca 0.60 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3fhw s ILE 96 Cb -0.24 -4.99 -0.09 0.00 0.01 0.00 0.00 42.46 37.16 3fhw s ILE 96 CO 0.30 -1.89 1.17 0.00 0.00 0.00 0.00 174.94 174.52 3fhw s ALA 97 N 5.28 3.43 0.34 9.38 0.00 -1.26 -4.87 121.76 134.06 3fhw s ALA 97 Ca 0.40 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.32 3fhw s ALA 97 Cb -0.04 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3fhw s ALA 97 CO 0.02 -0.31 0.08 0.41 0.00 0.00 0.00 175.76 175.96 3fhw n GLY 98 N 1.82 3.50 2.51 0.00 0.00 -1.26 -5.24 105.19 106.53 3fhw n GLY 98 Ca 0.02 -2.15 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 3fhw n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fhw n SER 99 N -1.52 3.92 0.00 1.61 3.41 -1.26 -5.17 113.62 114.61 3fhw n SER 99 Ca -0.08 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 3fhw n SER 99 Cb 0.49 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3fhw n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fhw n GLY 101 N 0.99 0.91 3.09 5.00 0.00 -1.26 -5.40 105.19 108.52 3fhw n GLY 101 Ca 0.29 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3fhw n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86