#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whh s SER 2 N 0.00 0.88 0.00 1.61 0.01 -1.26 -4.95 113.70 109.99 1whh s SER 2 Ca 0.00 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1whh s SER 2 Cb 0.00 0.81 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1whh s SER 2 CO 0.00 -0.32 0.00 -1.54 0.41 0.00 0.00 173.24 171.79 1whh n SER 3 N 4.88 0.00 0.00 2.44 3.41 -1.26 -5.03 113.62 118.05 1whh n SER 3 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1whh n SER 3 Cb 0.47 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1whh n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whh n GLY 4 N -1.33 2.94 1.25 5.00 0.00 -1.26 -4.71 105.19 107.09 1whh n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1whh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whh n SER 5 N 0.15 0.67 -2.74 1.61 7.64 -1.26 -5.12 113.62 114.58 1whh n SER 5 Ca 0.00 0.18 -0.01 0.00 1.01 0.00 0.00 58.87 60.05 1whh n SER 5 Cb 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1whh n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whh n SER 6 N -3.31 -8.02 0.00 6.43 2.88 -1.26 -4.99 113.62 105.35 1whh n SER 6 Ca 0.00 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 1whh n SER 6 Cb 0.00 -5.27 0.00 0.00 -0.75 0.00 0.00 64.21 58.19 1whh n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whh n GLY 7 N 0.66 3.08 0.00 0.46 0.00 -1.26 -5.09 105.19 103.04 1whh n GLY 7 Ca 0.01 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1whh n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whh n LYS 8 N -0.25 0.00 -3.02 1.61 5.02 -1.26 -5.03 118.16 115.23 1whh n LYS 8 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1whh n LYS 8 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 1whh n LYS 8 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1whh n SER 9 N 0.00 -3.41 0.01 4.39 7.64 -1.26 -4.96 113.62 116.03 1whh n SER 9 Ca 0.00 -0.51 -0.18 0.00 1.01 0.00 0.00 58.87 59.19 1whh n SER 9 Cb 0.00 -4.13 -0.08 0.00 -1.01 0.00 0.00 64.21 58.99 1whh n SER 9 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1whh h PRO 10 N -1.23 0.73 0.00 1.43 0.13 -2.07 -3.48 132.00 127.51 1whh h PRO 10 Ca -0.46 -0.68 -0.15 0.00 -0.87 0.00 0.00 66.00 63.83 1whh h PRO 10 Cb 1.26 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.52 1whh h PRO 10 CO 0.37 1.27 0.01 0.43 -0.23 0.00 0.00 178.00 179.86 1whh n SER 11 N -3.89 -1.44 -3.51 1.44 7.64 -1.26 -5.13 113.62 107.48 1whh n SER 11 Ca -0.09 -2.48 -0.29 0.00 1.01 0.00 0.00 58.87 57.03 1whh n SER 11 Cb 0.81 2.53 -0.12 0.00 -1.01 0.00 0.00 64.21 66.42 1whh n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whh s SER 12 N -2.77 2.82 0.43 6.43 0.15 -1.26 -4.99 113.70 114.50 1whh s SER 12 Ca 0.20 -2.50 0.18 0.00 0.70 0.00 0.00 55.95 54.53 1whh s SER 12 Cb -0.02 -0.56 1.10 0.00 -1.71 0.00 0.00 66.02 64.83 1whh s SER 12 CO 0.14 -0.27 1.87 -0.65 1.20 0.00 0.00 173.24 175.54 1whh h PRO 13 N 6.63 0.37 -5.14 5.44 0.11 -2.05 -3.40 132.00 133.96 1whh h PRO 13 Ca 0.09 -0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.72 1whh h PRO 13 Cb 0.94 -0.08 -0.29 0.00 0.11 0.00 0.00 31.00 31.68 1whh h PRO 13 CO 0.34 0.25 -0.80 0.45 -0.21 0.00 0.00 178.00 178.02 1whh s SER 14 N -5.70 1.51 0.12 -2.05 0.15 -1.26 -5.00 113.70 101.47 1whh s SER 14 Ca -0.08 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1whh s SER 14 Cb 0.22 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1whh s SER 14 CO 0.78 0.15 0.00 -0.11 1.20 0.00 0.00 173.24 175.26 1whh n LEU 15 N 2.79 -0.85 -2.67 3.45 7.94 -1.26 -5.04 117.00 121.36 1whh n LEU 15 Ca -0.14 0.22 -0.05 0.00 -1.11 0.00 0.00 56.01 54.93 1whh n LEU 15 Cb 0.55 1.06 0.04 0.00 0.53 0.00 0.00 43.42 45.60 1whh n LEU 15 CO 0.25 -0.37 0.60 0.61 -1.11 0.00 0.00 177.39 177.37 1whh n GLY 16 N -0.55 -0.31 2.49 -3.96 0.00 -1.26 -4.96 105.19 96.64 1whh n GLY 16 Ca 0.00 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1whh n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whh n SER 17 N -0.35 -5.57 -1.74 1.61 2.88 -1.26 -1.46 113.62 107.74 1whh n SER 17 Ca -0.17 0.27 -0.17 0.00 -1.33 0.00 0.00 58.87 57.47 1whh n SER 17 Cb 0.71 -4.79 -0.06 0.00 -0.75 0.00 0.00 64.21 59.33 1whh n SER 17 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1whh n LEU 18 N -2.65 -1.34 -2.87 2.46 7.94 -1.26 -3.76 117.00 115.52 1whh n LEU 18 Ca -0.22 0.33 -0.01 0.00 -1.11 0.00 0.00 56.01 55.00 1whh n LEU 18 Cb 0.68 -2.48 -0.01 0.00 0.53 0.00 0.00 43.42 42.13 1whh n LEU 18 CO 0.30 -0.71 -0.47 1.67 -1.11 0.00 0.00 177.39 177.07 1whh n GLN 19 N -2.34 -2.59 0.09 1.96 -0.06 -0.54 -5.00 117.38 108.90 1whh n GLN 19 Ca -0.18 2.20 0.00 0.00 -2.00 0.00 0.00 57.00 57.02 1whh n GLN 19 Cb 0.59 -3.55 0.00 0.00 -4.06 0.00 0.00 30.24 23.22 1whh n GLN 19 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1whh n GLN 20 N 1.32 0.00 -1.95 3.69 1.13 -1.25 -5.01 117.38 115.32 1whh n GLN 20 Ca -0.09 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.73 1whh n GLN 20 Cb 0.27 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.57 1whh n GLN 20 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1whh s ARG 21 N -2.00 2.34 -0.36 -1.09 3.52 -1.26 -4.73 118.95 115.37 1whh s ARG 21 Ca 0.00 -0.17 0.07 0.00 -0.13 0.00 0.00 55.73 55.50 1whh s ARG 21 Cb 0.00 -5.01 0.55 0.00 -1.56 0.00 0.00 34.95 28.92 1whh s ARG 21 CO 0.00 -3.64 1.61 0.39 -0.81 0.00 0.00 175.30 172.85 1whh n GLU 22 N 8.82 2.09 -2.35 5.12 -0.58 -1.26 -4.99 120.64 127.49 1whh n GLU 22 Ca 0.42 -3.20 -0.00 0.00 -0.42 0.00 0.00 57.16 53.95 1whh n GLU 22 Cb 0.46 -1.97 -0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1whh n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1whh n GLY 23 N -1.10 -3.96 2.86 0.62 0.00 -1.26 -5.07 105.19 97.28 1whh n GLY 23 Ca 0.43 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 1whh n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whh s ALA 24 N -1.10 -0.72 -0.00 4.61 0.00 -1.26 -5.07 121.76 118.22 1whh s ALA 24 Ca -0.02 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 1whh s ALA 24 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1whh s ALA 24 CO 0.56 -1.20 0.61 0.87 0.00 0.00 0.00 175.76 176.59 1whh h LYS 25 N 8.24 -0.12 -5.99 0.00 1.79 -1.97 -3.47 116.57 115.05 1whh h LYS 25 Ca -0.18 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 57.74 1whh h LYS 25 Cb 1.15 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 1whh h LYS 25 CO 0.27 -0.08 -0.35 0.00 -1.08 0.00 0.00 179.45 178.21 1whh s ALA 26 N -3.24 4.20 0.39 3.86 0.00 -1.26 -5.06 121.76 120.66 1whh s ALA 26 Ca -0.02 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.42 1whh s ALA 26 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1whh s ALA 26 CO 0.05 -0.35 0.20 -1.21 0.00 0.00 0.00 175.76 174.46 1whh s GLU 27 N -4.18 1.92 -0.88 0.00 2.02 -1.26 -5.08 118.70 111.25 1whh s GLU 27 Ca 0.39 -2.17 -0.25 0.00 0.02 0.00 0.00 54.97 52.97 1whh s GLU 27 Cb -0.01 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.99 1whh s GLU 27 CO 0.23 -0.59 1.64 0.08 0.02 0.00 0.00 175.26 176.64 1whh s VAL 28 N -3.25 3.66 0.00 2.63 1.01 -1.26 -3.48 120.40 119.70 1whh s VAL 28 Ca 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1whh s VAL 28 Cb 0.02 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1whh s VAL 28 CO 0.20 -1.47 0.00 0.61 0.00 0.00 0.00 175.10 174.44 1whh n GLY 29 N 6.45 0.91 3.16 4.51 0.00 -1.11 -5.02 105.19 114.09 1whh n GLY 29 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1whh n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whh s ASP 30 N -0.94 0.20 -0.06 1.61 2.15 -1.23 -5.00 116.67 113.40 1whh s ASP 30 Ca 0.00 -0.66 -0.30 0.00 0.43 0.00 0.00 52.55 52.02 1whh s ASP 30 Cb 0.00 0.28 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 1whh s ASP 30 CO 0.00 -0.63 1.10 -1.58 -0.17 0.00 0.00 175.17 173.89 1whh s GLN 31 N -3.44 4.40 0.38 4.34 0.74 -1.26 -3.08 119.66 121.75 1whh s GLN 31 Ca 0.02 1.55 0.04 0.00 0.05 0.00 0.00 55.36 57.01 1whh s GLN 31 Cb 0.03 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 1whh s GLN 31 CO -0.09 -0.35 0.11 0.14 -0.55 0.00 0.00 175.29 174.55 1whh s VAL 32 N 1.95 0.77 -0.27 1.34 -7.23 -0.53 -1.88 120.40 114.54 1whh s VAL 32 Ca 0.53 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1whh s VAL 32 Cb -0.22 -2.47 0.12 0.00 0.56 0.00 0.00 36.38 34.37 1whh s VAL 32 CO 0.21 0.00 0.24 -0.22 -0.31 0.00 0.00 175.10 175.02 1whh s LEU 33 N -3.57 -0.01 -0.03 1.32 2.96 0.49 -2.65 118.68 117.18 1whh s LEU 33 Ca 0.27 -0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 53.08 1whh s LEU 33 Cb 0.04 0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.94 1whh s LEU 33 CO 0.14 -0.39 1.49 -0.69 -1.32 0.00 0.00 176.35 175.58 1whh s VAL 34 N 2.29 3.66 -1.81 1.68 1.01 -0.05 -0.81 120.40 126.36 1whh s VAL 34 Ca 0.09 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1whh s VAL 34 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1whh s VAL 34 CO -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 174.76 1whh n ALA 35 N 6.06 -0.50 -2.79 5.51 0.00 -0.24 -1.63 120.51 126.92 1whh n ALA 35 Ca 0.15 0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.61 1whh n ALA 35 Cb 0.43 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 17.90 1whh n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1whh n GLY 36 N -0.71 -0.51 1.22 0.00 0.00 -1.06 -4.75 105.19 99.38 1whh n GLY 36 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1whh n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1whh n GLN 37 N -3.45 0.00 -1.82 1.61 6.02 -0.65 -5.06 117.38 114.05 1whh n GLN 37 Ca -0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.42 1whh n GLN 37 Cb 0.62 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.85 1whh n GLN 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1whh s LYS 38 N -0.61 3.21 -0.06 -1.09 1.02 -0.94 -4.82 119.74 116.43 1whh s LYS 38 Ca 0.00 1.68 -0.25 0.00 0.02 0.00 0.00 55.97 57.43 1whh s LYS 38 Cb 0.00 -4.29 -0.03 0.00 -0.52 0.00 0.00 37.83 32.99 1whh s LYS 38 CO 0.00 -2.01 0.76 -1.14 -0.92 0.00 0.00 175.35 172.03 1whh s GLN 39 N 6.04 4.44 0.32 1.68 -0.44 -1.26 -0.88 119.66 129.57 1whh s GLN 39 Ca 0.89 0.98 -0.09 0.00 -2.50 0.00 0.00 55.36 54.65 1whh s GLN 39 Cb -0.27 -3.46 0.03 0.00 -1.64 0.00 0.00 33.01 27.67 1whh s GLN 39 CO 0.34 0.01 0.57 0.41 0.50 0.00 0.00 175.29 177.12 1whh n GLY 40 N 3.11 1.53 3.22 2.59 0.00 -1.09 -4.61 105.19 109.96 1whh n GLY 40 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1whh n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whh s ILE 41 N -2.43 1.73 0.02 -0.61 -1.09 -1.26 -1.45 121.20 116.12 1whh s ILE 41 Ca 0.17 -0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 57.37 1whh s ILE 41 Cb -0.03 -1.45 -0.08 0.00 -1.58 0.00 0.00 42.46 39.32 1whh s ILE 41 CO 0.12 0.49 1.82 -0.69 -1.23 0.00 0.00 174.94 175.46 1whh s VAL 42 N -0.34 3.14 -0.14 2.92 1.01 -1.18 -2.56 120.40 123.26 1whh s VAL 42 Ca 0.04 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1whh s VAL 42 Cb -0.10 -3.18 -0.14 0.00 0.00 0.00 0.00 36.38 32.96 1whh s VAL 42 CO 0.01 -0.02 -0.03 0.54 0.00 0.00 0.00 175.10 175.59 1whh n ARG 43 N 7.01 1.28 -3.60 2.72 5.12 -1.13 -2.74 116.66 125.31 1whh n ARG 43 Ca 0.18 0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.98 1whh n ARG 43 Cb 0.41 -1.33 -0.14 0.00 -1.16 0.00 0.00 32.46 30.24 1whh n ARG 43 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1whh s PHE 44 N -2.32 -0.28 -0.17 -1.55 2.19 -1.22 -4.96 117.98 109.67 1whh s PHE 44 Ca -0.13 0.57 -0.03 0.00 0.33 0.00 0.00 56.93 57.67 1whh s PHE 44 Cb 0.05 -0.24 -0.02 0.00 -1.31 0.00 0.00 43.02 41.50 1whh s PHE 44 CO 0.47 -0.42 -0.06 -0.47 1.83 0.00 0.00 175.22 176.56 1whh s TYR 45 N 2.34 2.95 -3.28 10.12 5.04 -1.26 0.09 117.35 133.35 1whh s TYR 45 Ca 0.04 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 1whh s TYR 45 Cb -0.13 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.20 1whh s TYR 45 CO -0.09 -0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.31 1whh n GLY 46 N 3.90 -0.64 3.94 8.97 0.00 -1.16 -5.05 105.19 115.15 1whh n GLY 46 Ca -0.18 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1whh n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whh s LYS 47 N -1.31 3.48 0.38 1.61 1.02 -1.26 -1.62 119.74 122.04 1whh s LYS 47 Ca 0.00 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 55.60 1whh s LYS 47 Cb 0.00 -2.79 -0.07 0.00 -0.52 0.00 0.00 37.83 34.45 1whh s LYS 47 CO 0.00 0.32 -0.02 0.95 -0.92 0.00 0.00 175.35 175.68 1whh s THR 48 N -2.06 2.01 -0.08 2.17 -4.23 -1.23 -4.96 115.64 107.26 1whh s THR 48 Ca 0.38 -2.07 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1whh s THR 48 Cb -0.10 -2.86 -0.22 0.00 1.34 0.00 0.00 72.50 70.67 1whh s THR 48 CO 0.32 -0.07 0.60 -0.67 -0.54 0.00 0.00 174.62 174.26 1whh n ASP 49 N -0.88 0.74 0.09 3.99 -0.08 -1.26 -4.13 116.55 115.01 1whh n ASP 49 Ca -0.05 0.35 -0.07 0.00 -1.51 0.00 0.00 54.79 53.51 1whh n ASP 49 Cb 0.66 0.15 0.03 0.00 2.34 0.00 0.00 41.12 44.30 1whh n ASP 49 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1whh h PHE 50 N 0.00 0.25 -3.62 -0.67 -5.15 -1.97 -3.45 116.94 102.33 1whh h PHE 50 Ca -0.30 -0.13 -0.19 0.00 -0.20 0.00 0.00 57.97 57.15 1whh h PHE 50 Cb 1.96 -0.03 -0.25 0.00 0.22 0.00 0.00 35.95 37.85 1whh h PHE 50 CO 0.00 0.89 -0.62 0.00 -2.00 0.00 0.00 178.31 176.58 1whh s ALA 51 N -3.35 -0.15 1.00 12.09 0.00 -1.26 -5.17 121.76 124.92 1whh s ALA 51 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1whh s ALA 51 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1whh s ALA 51 CO 0.81 -0.08 0.00 -0.35 0.00 0.00 0.00 175.76 176.14 1whh n PRO 52 N 2.53 -0.02 0.00 0.00 -0.04 -1.26 -3.48 135.00 132.73 1whh n PRO 52 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1whh n PRO 52 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1whh n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1whh n GLY 53 N 4.33 -0.08 3.20 0.55 0.00 -1.26 -4.75 105.19 107.17 1whh n GLY 53 Ca 0.00 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1whh n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whh s TYR 54 N 0.00 2.70 0.39 1.61 2.02 -1.26 -4.43 117.35 118.37 1whh s TYR 54 Ca 0.00 -1.26 0.08 0.00 -0.37 0.00 0.00 57.07 55.52 1whh s TYR 54 Cb 0.00 -1.83 -0.07 0.00 -0.40 0.00 0.00 41.96 39.66 1whh s TYR 54 CO 0.00 -0.57 0.05 -1.58 -1.57 0.00 0.00 175.55 171.88 1whh s TRP 55 N 0.80 2.54 -0.15 2.71 0.52 -0.64 -4.09 118.94 120.63 1whh s TRP 55 Ca -0.07 -0.58 0.00 0.00 0.02 0.00 0.00 56.10 55.47 1whh s TRP 55 Cb -0.16 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1whh s TRP 55 CO -0.01 0.39 -0.14 0.71 0.02 0.00 0.00 176.95 177.92 1whh s TYR 56 N -2.63 2.17 -1.48 -1.98 1.51 -1.23 -3.00 117.35 110.72 1whh s TYR 56 Ca 0.37 -1.24 -0.09 0.00 -1.01 0.00 0.00 57.07 55.09 1whh s TYR 56 Cb 0.05 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1whh s TYR 56 CO 0.19 -0.67 2.58 0.41 -1.11 0.00 0.00 175.55 176.95 1whh n GLY 57 N 4.77 4.62 3.77 0.71 0.00 0.11 -3.74 105.19 115.43 1whh n GLY 57 Ca -0.17 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1whh n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whh s ILE 58 N 1.11 2.92 -0.34 -0.61 1.01 -0.88 -2.84 121.20 121.57 1whh s ILE 58 Ca 0.59 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.99 1whh s ILE 58 Cb 0.17 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 39.20 1whh s ILE 58 CO -0.07 0.11 0.11 -0.70 0.00 0.00 0.00 174.94 174.40 1whh s GLU 59 N -2.17 2.65 1.19 2.79 -6.30 -1.06 0.33 118.70 116.13 1whh s GLU 59 Ca 0.55 -1.16 -0.18 0.00 -2.50 0.00 0.00 54.97 51.68 1whh s GLU 59 Cb -0.35 -3.48 0.28 0.00 0.00 0.00 0.00 34.13 30.59 1whh s GLU 59 CO 0.44 -0.66 1.09 -0.51 0.02 0.00 0.00 175.26 175.63 1whh s LEU 60 N 1.42 0.64 -0.20 2.70 1.43 -0.11 -4.07 118.68 120.49 1whh s LEU 60 Ca -0.01 0.77 0.14 0.00 -1.03 0.00 0.00 54.13 53.99 1whh s LEU 60 Cb -0.19 -2.54 -0.22 0.00 0.03 0.00 0.00 46.19 43.27 1whh s LEU 60 CO 0.03 -4.11 0.00 0.47 0.23 0.00 0.00 176.35 172.97 1whh n ASP 61 N -4.77 0.72 -4.93 2.29 9.92 -1.26 -4.84 116.55 113.67 1whh n ASP 61 Ca 0.11 -0.03 -0.20 0.00 -0.53 0.00 0.00 54.79 54.14 1whh n ASP 61 Cb 0.59 0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 41.72 1whh n ASP 61 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1whh s GLN 62 N -2.46 3.10 -1.31 -1.24 -0.21 -1.26 -5.00 119.66 111.27 1whh s GLN 62 Ca -0.14 -1.00 -0.09 0.00 0.02 0.00 0.00 55.36 54.14 1whh s GLN 62 Cb 0.06 -2.73 -0.12 0.00 1.00 0.00 0.00 33.01 31.22 1whh s GLN 62 CO 0.73 0.23 3.03 -0.35 -2.12 0.00 0.00 175.29 176.82 1whh n PRO 63 N -1.44 3.33 -1.49 2.91 -0.04 -1.25 -4.22 135.00 132.80 1whh n PRO 63 Ca -0.04 -1.95 0.02 0.00 -0.04 0.00 0.00 63.50 61.48 1whh n PRO 63 Cb 0.58 -2.64 0.07 0.00 -0.04 0.00 0.00 33.50 31.47 1whh n PRO 63 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1whh n THR 64 N 3.42 0.93 0.00 0.52 -2.24 -0.53 -4.89 114.28 111.49 1whh n THR 64 Ca 0.71 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 1whh n THR 64 Cb 0.34 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1whh n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1whh n GLY 65 N -0.16 1.08 1.61 3.38 0.00 0.34 -4.96 105.19 106.48 1whh n GLY 65 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1whh n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whh n LYS 66 N 0.00 0.00 -4.46 1.61 4.81 -1.14 -4.92 118.16 114.06 1whh n LYS 66 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1whh n LYS 66 Cb 0.00 -0.02 -0.11 0.00 0.02 0.00 0.00 35.03 34.92 1whh n LYS 66 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1whh s HIS 67 N -1.81 2.02 -0.52 5.64 -3.43 -1.22 -4.90 115.29 111.07 1whh s HIS 67 Ca 0.00 -0.90 0.00 0.00 -0.80 0.00 0.00 55.06 53.36 1whh s HIS 67 Cb 0.00 -1.32 0.48 0.00 -1.43 0.00 0.00 32.58 30.31 1whh s HIS 67 CO 0.00 0.08 1.95 -0.25 -2.00 0.00 0.00 174.74 174.52 1whh n ASP 68 N -0.70 5.97 0.00 7.38 9.92 -1.26 -3.38 116.55 134.48 1whh n ASP 68 Ca -0.03 -3.56 0.00 0.00 -0.53 0.00 0.00 54.79 50.67 1whh n ASP 68 Cb 0.66 -0.92 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 1whh n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1whh n GLY 69 N -0.78 2.69 3.66 0.44 0.00 -1.26 -4.59 105.19 105.35 1whh n GLY 69 Ca 0.55 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1whh n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whh s SER 70 N 0.03 5.99 -0.29 1.61 1.04 -1.26 -3.22 113.70 117.61 1whh s SER 70 Ca 0.00 0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.54 1whh s SER 70 Cb 0.00 -2.06 0.05 0.00 0.10 0.00 0.00 66.02 64.10 1whh s SER 70 CO 0.00 0.12 -0.02 -0.69 0.98 0.00 0.00 173.24 173.63 1whh s VAL 71 N 0.74 2.92 -1.64 5.02 1.01 0.23 -4.62 120.40 124.06 1whh s VAL 71 Ca 0.07 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 1whh s VAL 71 Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1whh s VAL 71 CO 0.02 -0.04 0.07 0.49 0.00 0.00 0.00 175.10 175.64 1whh n PHE 72 N 4.62 -1.04 0.00 5.22 3.72 -1.26 -1.67 117.46 127.05 1whh n PHE 72 Ca -0.14 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1whh n PHE 72 Cb 0.44 -3.85 0.00 0.00 -0.94 0.00 0.00 39.48 35.13 1whh n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1whh n GLY 73 N -1.08 3.04 3.67 1.37 0.00 -1.26 -5.03 105.19 105.90 1whh n GLY 73 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1whh n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1whh s VAL 74 N -2.87 4.73 -0.05 1.61 1.01 -0.67 -5.00 120.40 119.15 1whh s VAL 74 Ca 0.00 1.98 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 1whh s VAL 74 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1whh s VAL 74 CO 0.00 -0.11 0.02 -0.60 0.00 0.00 0.00 175.10 174.41 1whh s ARG 75 N 2.79 2.97 -0.06 2.72 3.52 -1.26 0.76 118.95 130.39 1whh s ARG 75 Ca 0.44 -0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 55.57 1whh s ARG 75 Cb -0.16 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 1whh s ARG 75 CO 0.10 0.68 -0.07 0.66 -0.81 0.00 0.00 175.30 175.85 1whh n TYR 76 N 1.79 0.00 -4.11 5.12 4.02 -1.20 -5.01 117.16 117.77 1whh n TYR 76 Ca -0.17 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.58 1whh n TYR 76 Cb 0.53 -0.23 -0.05 0.00 -0.02 0.00 0.00 39.34 39.57 1whh n TYR 76 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whh s PHE 77 N -2.12 1.09 -0.22 -0.72 -0.71 -1.26 -4.90 117.98 109.14 1whh s PHE 77 Ca -0.09 -1.30 -0.08 0.00 -1.04 0.00 0.00 56.93 54.43 1whh s PHE 77 Cb 0.03 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1whh s PHE 77 CO 0.12 -1.06 0.07 0.95 -1.34 0.00 0.00 175.22 173.96 1whh s THR 78 N -3.25 4.58 0.18 -4.49 -4.23 -1.26 -4.65 115.64 102.52 1whh s THR 78 Ca 0.32 -0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.67 1whh s THR 78 Cb 0.00 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1whh s THR 78 CO 0.20 0.38 0.24 0.00 -0.54 0.00 0.00 174.62 174.90 1whh s ALA 80 N -4.04 2.17 -0.21 0.00 0.00 -1.26 -4.75 121.76 113.67 1whh s ALA 80 Ca 0.25 -0.32 -0.35 0.00 0.00 0.00 0.00 51.96 51.54 1whh s ALA 80 Cb 0.04 -3.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.97 1whh s ALA 80 CO 0.05 -1.85 1.96 -2.30 0.00 0.00 0.00 175.76 173.63 1whh n PRO 81 N -3.49 1.65 -3.19 0.00 -0.02 -1.26 -2.08 135.00 126.60 1whh n PRO 81 Ca 0.07 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1whh n PRO 81 Cb 0.57 -2.53 0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1whh n PRO 81 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1whh n ARG 82 N 6.98 -3.42 0.00 -0.52 1.74 -1.24 -4.54 116.66 115.65 1whh n ARG 82 Ca 0.29 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 58.17 1whh n ARG 82 Cb 0.25 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.12 1whh n ARG 82 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1whh n HIS 83 N -3.37 0.00 -1.87 -1.55 8.25 -0.88 -0.51 115.22 115.29 1whh n HIS 83 Ca -0.13 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.92 1whh n HIS 83 Cb 0.63 0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.85 1whh n HIS 83 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1whh s GLY 84 N -4.71 2.85 -0.03 -1.41 0.00 -1.22 -0.93 107.32 101.87 1whh s GLY 84 Ca 0.00 1.51 -0.01 0.00 0.00 0.00 0.00 44.72 46.22 1whh s GLY 84 CO 0.00 2.22 0.05 -1.34 0.00 0.00 0.00 173.10 174.03 1whh s VAL 85 N -0.97 -0.07 -0.31 1.40 -7.23 0.15 -2.88 120.40 110.49 1whh s VAL 85 Ca 0.53 0.26 -0.06 0.00 -1.81 0.00 0.00 61.98 60.91 1whh s VAL 85 Cb -0.45 -0.11 0.03 0.00 0.56 0.00 0.00 36.38 36.41 1whh s VAL 85 CO 0.59 0.11 0.07 -0.36 -0.31 0.00 0.00 175.10 175.19 1whh s PHE 86 N 1.31 3.19 0.05 2.82 0.08 -1.25 -2.06 117.98 122.11 1whh s PHE 86 Ca -0.06 -1.31 0.03 0.00 0.12 0.00 0.00 56.93 55.70 1whh s PHE 86 Cb -0.13 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1whh s PHE 86 CO -0.03 -0.68 -0.09 0.00 -0.10 0.00 0.00 175.22 174.32 1whh s ALA 87 N 1.42 0.69 0.38 5.36 0.00 -1.25 -4.91 121.76 123.45 1whh s ALA 87 Ca -0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 1whh s ALA 87 Cb -0.18 0.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.83 1whh s ALA 87 CO 0.01 0.03 1.39 -2.30 0.00 0.00 0.00 175.76 174.89 1whh n PRO 88 N 1.51 2.37 -0.18 0.00 -0.02 -1.26 -3.48 135.00 133.94 1whh n PRO 88 Ca -0.22 0.83 -0.03 0.00 -2.02 0.00 0.00 63.50 62.06 1whh n PRO 88 Cb 0.55 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1whh n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1whh h ALA 89 N 2.66 0.19 -0.19 3.55 0.00 -1.89 1.45 119.26 125.03 1whh h ALA 89 Ca -0.49 0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1whh h ALA 89 Cb 1.26 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1whh h ALA 89 CO 0.63 -0.54 0.26 0.77 0.00 0.00 0.00 179.25 180.37 1whh h SER 90 N -0.09 0.00 0.85 0.00 0.02 -1.94 0.89 113.55 113.29 1whh h SER 90 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1whh h SER 90 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1whh h SER 90 CO -0.60 0.00 -0.66 0.03 -1.14 0.00 0.00 176.83 174.45 1whh h ARG 91 N 0.00 0.00 -6.12 3.45 3.08 0.15 -3.46 114.38 111.48 1whh h ARG 91 Ca 0.09 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.48 1whh h ARG 91 Cb 0.60 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.53 1whh h ARG 91 CO -0.00 0.00 -0.63 0.42 -1.07 0.00 0.00 179.97 178.69 1whh s ILE 92 N -3.18 4.29 0.54 2.04 1.01 0.31 -1.08 121.20 125.14 1whh s ILE 92 Ca 0.06 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1whh s ILE 92 Cb 0.13 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1whh s ILE 92 CO 0.73 0.37 0.18 0.00 0.00 0.00 0.00 174.94 176.22 1whh n GLN 93 N 1.35 0.70 -4.85 2.79 6.02 0.01 -4.84 117.38 118.55 1whh n GLN 93 Ca -0.14 -3.70 -0.26 0.00 -0.01 0.00 0.00 57.00 52.88 1whh n GLN 93 Cb 0.53 0.75 -0.16 0.00 1.02 0.00 0.00 30.24 32.37 1whh n GLN 93 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1whh s ARG 94 N -4.07 1.83 -0.18 -1.09 3.52 -1.26 -0.38 118.95 117.32 1whh s ARG 94 Ca 0.14 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.17 1whh s ARG 94 Cb -0.01 -1.58 -0.14 0.00 -1.56 0.00 0.00 34.95 31.66 1whh s ARG 94 CO 0.09 0.24 -0.11 -0.89 -0.81 0.00 0.00 175.30 173.81 1whh n ILE 95 N 3.17 1.08 0.00 4.11 5.41 -0.79 -4.91 119.36 127.43 1whh n ILE 95 Ca -0.18 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.09 1whh n ILE 95 Cb 0.53 -1.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 1whh n ILE 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1whh n GLY 96 N 2.45 2.26 3.05 7.39 0.00 -1.23 -4.80 105.19 114.31 1whh n GLY 96 Ca -0.31 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 1whh n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whh s SER 97 N -3.29 2.17 -0.39 1.61 1.04 -1.26 -4.41 113.70 109.17 1whh s SER 97 Ca 0.00 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1whh s SER 97 Cb 0.00 -0.98 0.12 0.00 0.10 0.00 0.00 66.02 65.25 1whh s SER 97 CO 0.00 0.03 0.16 -0.83 0.98 0.00 0.00 173.24 173.58 1whh s GLY 98 N 0.81 1.65 0.49 7.32 0.00 -1.26 -5.12 107.32 111.21 1whh s GLY 98 Ca -0.11 -2.39 -0.22 0.00 0.00 0.00 0.00 44.72 42.00 1whh s GLY 98 CO 0.02 1.36 1.19 2.56 0.00 0.00 0.00 173.10 178.23 1whh s PRO 99 N 0.78 3.55 0.41 2.90 0.04 -1.26 -4.76 135.00 136.66 1whh s PRO 99 Ca 0.14 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1whh s PRO 99 Cb -0.21 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1whh s PRO 99 CO -0.09 -0.74 0.00 0.43 0.04 0.00 0.00 177.00 176.64 1whh n SER 100 N -0.77 -7.95 -2.53 6.66 7.64 -1.26 -4.97 113.62 110.45 1whh n SER 100 Ca 0.09 1.11 -0.05 0.00 1.01 0.00 0.00 58.87 61.03 1whh n SER 100 Cb 0.48 -4.12 -0.04 0.00 -1.01 0.00 0.00 64.21 59.52 1whh n SER 100 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whh n SER 101 N -0.42 -1.17 0.00 6.43 7.64 -1.26 -5.27 113.62 119.57 1whh n SER 101 Ca 0.00 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1whh n SER 101 Cb 0.00 -5.12 0.00 0.00 -1.01 0.00 0.00 64.21 58.08 1whh n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64