#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whh n SER 2 N 0.00 0.00 -3.45 1.61 2.88 -1.26 -5.07 113.62 108.33 1whh n SER 2 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1whh n SER 2 Cb 0.00 0.21 -0.11 0.00 -0.75 0.00 0.00 64.21 63.55 1whh n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whh s SER 3 N -1.96 2.63 -0.36 -3.46 1.04 -1.26 -5.10 113.70 105.23 1whh s SER 3 Ca 0.00 -1.92 -0.28 0.00 0.48 0.00 0.00 55.95 54.22 1whh s SER 3 Cb 0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1whh s SER 3 CO 0.00 -0.32 1.79 -0.83 0.98 0.00 0.00 173.24 174.86 1whh s GLY 4 N 1.30 0.75 0.00 7.32 0.00 -1.26 -4.70 107.32 110.72 1whh s GLY 4 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1whh s GLY 4 CO -0.05 3.26 0.00 1.44 0.00 0.00 0.00 173.10 177.75 1whh n SER 5 N 10.46 0.72 -4.61 1.64 7.64 -1.26 -5.02 113.62 123.19 1whh n SER 5 Ca 0.22 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.68 1whh n SER 5 Cb 0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 1whh n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whh s SER 6 N -4.55 6.75 0.00 6.43 0.01 -1.26 -4.53 113.70 116.55 1whh s SER 6 Ca 0.00 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1whh s SER 6 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1whh s SER 6 CO 0.00 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1whh n GLY 7 N 4.33 -0.15 3.20 3.44 0.00 -1.26 -5.18 105.19 109.57 1whh n GLY 7 Ca 0.10 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.55 -3.67 1.61 4.76 -1.26 -5.12 118.16 115.03 1whh n LYS 8 Ca 0.00 -2.95 -0.28 0.00 -2.87 0.00 0.00 58.31 52.21 1whh n LYS 8 Cb 0.00 2.64 -0.11 0.00 -1.84 0.00 0.00 35.03 35.71 1whh n LYS 8 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1whh s SER 9 N -3.18 3.27 0.64 4.39 0.01 -1.26 -5.12 113.70 112.47 1whh s SER 9 Ca 0.33 -3.41 0.00 0.00 1.31 0.00 0.00 55.95 54.18 1whh s SER 9 Cb 0.00 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1whh s SER 9 CO 0.23 -0.14 0.00 -0.81 0.41 0.00 0.00 173.24 172.94 1whh n PRO 10 N 2.49 -0.24 0.00 12.44 -0.04 -1.26 -4.33 135.00 144.05 1whh n PRO 10 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1whh n PRO 10 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1whh n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whh n SER 11 N -1.93 0.00 -3.52 3.54 2.88 -1.26 -4.68 113.62 108.64 1whh n SER 11 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1whh n SER 11 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1whh n SER 11 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whh s SER 12 N 0.00 -0.44 0.77 -3.46 0.01 -1.26 -5.18 113.70 104.14 1whh s SER 12 Ca 0.00 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.14 1whh s SER 12 Cb 0.00 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.79 1whh s SER 12 CO 0.00 -0.89 0.06 -2.65 0.41 0.00 0.00 173.24 170.17 1whh n PRO 13 N -0.35 -1.09 -3.72 12.44 -0.02 -1.26 -4.96 135.00 136.04 1whh n PRO 13 Ca -0.12 -0.11 -0.28 0.00 -2.02 0.00 0.00 63.50 60.97 1whh n PRO 13 Cb 0.63 -0.17 -0.16 0.00 -0.02 0.00 0.00 33.50 33.78 1whh n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whh s SER 14 N -1.80 3.17 -0.08 2.55 0.15 -1.26 -5.03 113.70 111.40 1whh s SER 14 Ca 0.05 -1.01 -0.03 0.00 0.70 0.00 0.00 55.95 55.66 1whh s SER 14 Cb -0.01 -0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 1whh s SER 14 CO 0.04 -0.34 -0.07 -0.07 1.20 0.00 0.00 173.24 174.01 1whh h LEU 15 N 8.23 0.00 -2.22 3.45 -0.00 -2.00 -3.45 115.31 119.31 1whh h LEU 15 Ca -0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.64 1whh h LEU 15 Cb 1.09 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.59 1whh h LEU 15 CO 0.37 0.42 -0.60 0.61 -0.00 0.00 0.00 178.44 179.24 1whh n GLY 16 N 1.75 0.75 1.38 0.83 0.00 -1.26 -5.15 105.19 103.49 1whh n GLY 16 Ca -0.03 -0.31 0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 0.18 -8.12 -3.43 1.61 2.88 -1.26 -4.89 113.62 100.59 1whh n SER 17 Ca -0.02 0.78 -0.19 0.00 -1.33 0.00 0.00 58.87 58.11 1whh n SER 17 Cb 0.84 -4.35 0.08 0.00 -0.75 0.00 0.00 64.21 60.03 1whh n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1whh n LEU 18 N -4.10 -3.77 -3.41 2.46 4.77 -1.26 -4.98 117.00 106.71 1whh n LEU 18 Ca -0.02 -0.58 -0.27 0.00 -0.03 0.00 0.00 56.01 55.11 1whh n LEU 18 Cb 0.67 -3.04 -0.11 0.00 -2.33 0.00 0.00 43.42 38.61 1whh n LEU 18 CO 0.02 0.47 -0.31 -1.58 -1.33 0.00 0.00 177.39 174.66 1whh s GLN 19 N -5.68 0.74 -1.77 3.23 0.74 -1.26 -4.87 119.66 110.79 1whh s GLN 19 Ca 0.21 -1.73 0.00 0.00 0.05 0.00 0.00 55.36 53.89 1whh s GLN 19 Cb -0.09 -1.32 0.00 0.00 1.10 0.00 0.00 33.01 32.70 1whh s GLN 19 CO 0.71 -1.31 0.00 0.94 -0.55 0.00 0.00 175.29 175.09 1whh n GLN 20 N 3.39 -1.70 -3.42 1.67 -0.06 -1.26 -4.94 117.38 111.05 1whh n GLN 20 Ca 0.22 1.00 -0.22 0.00 -2.00 0.00 0.00 57.00 56.00 1whh n GLN 20 Cb 0.43 -5.67 -0.10 0.00 -4.06 0.00 0.00 30.24 20.84 1whh n GLN 20 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1whh s ARG 21 N -5.04 0.53 0.00 3.69 1.81 -1.26 -5.04 118.95 113.63 1whh s ARG 21 Ca 0.00 -0.93 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 1whh s ARG 21 Cb 0.00 -0.97 0.00 0.00 -0.45 0.00 0.00 34.95 33.53 1whh s ARG 21 CO 0.00 -1.17 0.91 0.39 -0.68 0.00 0.00 175.30 174.75 1whh n GLU 22 N 4.38 0.00 -1.94 3.54 -0.58 -1.26 -4.51 120.64 120.27 1whh n GLU 22 Ca 0.08 0.50 -0.01 0.00 -0.42 0.00 0.00 57.16 57.31 1whh n GLU 22 Cb 0.42 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 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 -0.74 -2.58 3.59 0.62 0.00 -1.26 -5.00 105.19 99.83 1whh n GLY 23 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 -1.90 -0.12 4.61 0.00 -1.26 -5.07 121.76 117.15 1whh s ALA 24 Ca 0.03 1.68 -0.18 0.00 0.00 0.00 0.00 51.96 53.48 1whh s ALA 24 Cb -0.01 -0.87 -0.26 0.00 0.00 0.00 0.00 23.12 21.98 1whh s ALA 24 CO 0.27 -0.30 0.56 0.87 0.00 0.00 0.00 175.76 177.16 1whh h LYS 25 N 3.40 0.20 0.00 0.00 1.79 -1.98 -3.48 116.57 116.49 1whh h LYS 25 Ca -0.24 -0.33 -0.32 0.00 -2.18 0.00 0.00 60.65 57.57 1whh h LYS 25 Cb 1.16 0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.88 1whh h LYS 25 CO 0.23 1.16 -0.23 0.00 -1.08 0.00 0.00 179.45 179.54 1whh n ALA 26 N -2.96 0.23 -4.25 3.86 0.00 -1.26 -4.99 120.51 111.14 1whh n ALA 26 Ca -0.24 -1.13 -0.23 0.00 0.00 0.00 0.00 53.44 51.85 1whh n ALA 26 Cb 0.83 0.60 -0.07 0.00 0.00 0.00 0.00 19.45 20.81 1whh n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1whh n GLU 27 N -0.68 0.48 -2.70 0.00 -0.58 -1.26 -5.10 120.64 110.80 1whh n GLU 27 Ca -0.10 -3.07 -0.42 0.00 -0.42 0.00 0.00 57.16 53.15 1whh n GLU 27 Cb 0.32 2.11 -0.03 0.00 -0.57 0.00 0.00 31.44 33.26 1whh n GLU 27 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1whh s VAL 28 N -3.09 4.16 0.00 2.62 1.01 -1.26 -3.58 120.40 120.25 1whh s VAL 28 Ca 0.28 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1whh s VAL 28 Cb 0.01 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1whh s VAL 28 CO 0.20 -1.31 0.00 0.61 0.00 0.00 0.00 175.10 174.60 1whh n GLY 29 N 5.13 1.94 3.24 4.51 0.00 -0.09 -5.00 105.19 114.93 1whh n GLY 29 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1whh n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1whh s ASP 30 N -2.00 2.42 0.16 1.61 1.01 -1.23 -4.94 116.67 113.70 1whh s ASP 30 Ca 0.00 -0.50 -0.31 0.00 0.71 0.00 0.00 52.55 52.45 1whh s ASP 30 Cb 0.00 -0.21 -0.10 0.00 1.01 0.00 0.00 42.92 43.62 1whh s ASP 30 CO 0.00 0.17 1.52 -1.10 0.21 0.00 0.00 175.17 175.97 1whh s GLN 31 N -1.07 4.24 0.31 8.23 1.11 -1.26 -2.96 119.66 128.26 1whh s GLN 31 Ca 0.07 2.30 0.04 0.00 0.01 0.00 0.00 55.36 57.78 1whh s GLN 31 Cb -0.09 -3.17 -0.04 0.00 -1.01 0.00 0.00 33.01 28.71 1whh s GLN 31 CO 0.01 -0.56 0.17 0.14 0.01 0.00 0.00 175.29 175.07 1whh s VAL 32 N 1.04 0.29 -0.29 1.09 -7.23 -0.17 -1.92 120.40 113.21 1whh s VAL 32 Ca 0.68 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 1whh s VAL 32 Cb -0.42 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.12 1whh s VAL 32 CO 0.32 0.00 0.13 -0.22 -0.31 0.00 0.00 175.10 175.02 1whh s LEU 33 N -3.38 0.73 -0.00 1.32 2.96 -0.29 -2.34 118.68 117.67 1whh s LEU 33 Ca 0.36 -1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 52.64 1whh s LEU 33 Cb 0.04 -0.41 -0.07 0.00 0.50 0.00 0.00 46.19 46.26 1whh s LEU 33 CO 0.19 -0.44 1.75 -0.69 -1.32 0.00 0.00 176.35 175.84 1whh s VAL 34 N 2.05 3.30 -1.81 1.68 1.01 0.13 -1.19 120.40 125.57 1whh s VAL 34 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1whh s VAL 34 Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1whh s VAL 34 CO -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 174.71 1whh n ALA 35 N 6.94 -0.54 -2.22 5.51 0.00 0.17 -1.53 120.51 128.85 1whh n ALA 35 Ca 0.18 0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.65 1whh n ALA 35 Cb 0.42 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.79 -0.02 1.57 0.00 0.00 -0.85 -4.73 105.19 100.37 1whh n GLY 36 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.76 0.00 -1.89 1.61 6.02 -0.58 -5.06 117.38 114.72 1whh n GLN 37 Ca -0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.36 1whh n GLN 37 Cb 0.64 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.87 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 -0.79 3.68 -0.05 -1.09 1.02 -0.73 -4.81 119.74 116.97 1whh s LYS 38 Ca 0.00 1.95 -0.24 0.00 0.02 0.00 0.00 55.97 57.69 1whh s LYS 38 Cb 0.00 -4.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1whh s LYS 38 CO 0.00 -1.46 0.74 -1.14 -0.92 0.00 0.00 175.35 172.58 1whh s GLN 39 N 5.10 4.46 0.31 1.68 -0.44 -1.26 0.22 119.66 129.73 1whh s GLN 39 Ca 0.83 0.97 -0.16 0.00 -2.50 0.00 0.00 55.36 54.50 1whh s GLN 39 Cb -0.31 -3.45 0.02 0.00 -1.64 0.00 0.00 33.01 27.64 1whh s GLN 39 CO 0.34 0.05 0.67 0.20 0.50 0.00 0.00 175.29 177.04 1whh s GLY 40 N 0.82 0.34 -0.07 2.59 0.00 -0.99 -4.65 107.32 105.36 1whh s GLY 40 Ca 0.40 -0.69 0.05 0.00 0.00 0.00 0.00 44.72 44.48 1whh s GLY 40 CO 0.20 -0.36 -0.23 -0.42 0.00 0.00 0.00 173.10 172.28 1whh s ILE 41 N -3.36 1.94 0.04 0.90 1.01 -1.25 -1.00 121.20 119.48 1whh s ILE 41 Ca 0.17 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.53 1whh s ILE 41 Cb -0.04 -1.66 -0.09 0.00 0.01 0.00 0.00 42.46 40.69 1whh s ILE 41 CO 0.10 0.54 1.85 -0.69 0.00 0.00 0.00 174.94 176.74 1whh s VAL 42 N 0.08 3.01 -0.12 2.92 1.01 -1.15 -2.62 120.40 123.53 1whh s VAL 42 Ca -0.10 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.19 1whh s VAL 42 Cb -0.15 -3.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.95 1whh s VAL 42 CO 0.05 -0.01 0.03 0.54 0.00 0.00 0.00 175.10 175.71 1whh n ARG 43 N 6.84 1.86 -3.38 2.72 5.12 -1.11 -0.91 116.66 127.80 1whh n ARG 43 Ca 0.18 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.99 1whh n ARG 43 Cb 0.41 -1.31 -0.09 0.00 -1.16 0.00 0.00 32.46 30.30 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 -2.30 -0.69 -0.16 -1.55 2.19 -1.21 -4.89 117.98 109.38 1whh s PHE 44 Ca -0.07 0.65 -0.05 0.00 0.33 0.00 0.00 56.93 57.79 1whh s PHE 44 Cb 0.04 -0.09 -0.03 0.00 -1.31 0.00 0.00 43.02 41.63 1whh s PHE 44 CO 0.49 -0.70 0.00 -0.47 1.83 0.00 0.00 175.22 176.37 1whh s TYR 45 N 2.49 3.12 -3.24 10.12 5.04 -1.26 0.64 117.35 134.26 1whh s TYR 45 Ca 0.11 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1whh s TYR 45 Cb -0.15 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.16 1whh s TYR 45 CO -0.16 0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 1whh n GLY 46 N 3.45 -0.61 3.95 8.97 0.00 -1.08 -5.02 105.19 114.85 1whh n GLY 46 Ca -0.17 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.30 1.35 0.26 1.61 1.02 -1.26 -2.09 119.74 119.33 1whh s LYS 47 Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1whh s LYS 47 Cb 0.00 -2.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 1whh s LYS 47 CO 0.00 -1.83 0.29 0.25 -0.92 0.00 0.00 175.35 173.13 1whh n THR 48 N -3.28 0.00 -0.05 2.17 -2.24 -1.26 -4.88 114.28 104.74 1whh n THR 48 Ca 0.13 -1.64 -0.06 0.00 -2.27 0.00 0.00 64.05 60.21 1whh n THR 48 Cb 0.60 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 1whh n THR 48 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whh n ASP 49 N -1.88 2.89 0.17 3.42 -0.08 -1.26 -4.56 116.55 115.25 1whh n ASP 49 Ca 0.03 -0.03 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1whh n ASP 49 Cb 0.46 0.27 0.57 0.00 2.34 0.00 0.00 41.12 44.75 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 0.17 -2.01 -0.67 -5.15 -1.98 -3.43 116.94 103.87 1whh h PHE 50 Ca -0.26 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.47 1whh h PHE 50 Cb 1.49 -0.06 -0.21 0.00 0.22 0.00 0.00 35.95 37.40 1whh h PHE 50 CO 0.01 0.11 0.13 0.00 -2.00 0.00 0.00 178.31 176.56 1whh s ALA 51 N -5.21 -1.76 0.59 12.09 0.00 -1.26 -5.17 121.76 121.04 1whh s ALA 51 Ca -0.06 1.89 -0.16 0.00 0.00 0.00 0.00 51.96 53.63 1whh s ALA 51 Cb 0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1whh s ALA 51 CO 0.69 -0.34 1.05 -1.25 0.00 0.00 0.00 175.76 175.91 1whh s PRO 52 N 0.11 3.37 0.00 0.00 0.04 -1.26 -4.20 135.00 133.05 1whh s PRO 52 Ca -0.02 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1whh s PRO 52 Cb -0.04 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1whh s PRO 52 CO 0.03 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1whh n GLY 53 N -1.04 0.57 3.21 0.56 0.00 -1.26 -4.99 105.19 102.23 1whh n GLY 53 Ca 0.09 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.21 3.24 0.27 1.61 2.02 -1.26 -4.41 117.35 118.62 1whh s TYR 54 Ca 0.00 -1.70 0.09 0.00 -0.37 0.00 0.00 57.07 55.09 1whh s TYR 54 Cb 0.00 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1whh s TYR 54 CO 0.00 -0.77 0.01 -1.58 -1.57 0.00 0.00 175.55 171.64 1whh s TRP 55 N 1.30 2.69 -0.12 2.71 0.52 -0.89 -3.92 118.94 121.23 1whh s TRP 55 Ca -0.04 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1whh s TRP 55 Cb -0.19 -1.23 -0.00 0.00 -1.15 0.00 0.00 33.47 30.89 1whh s TRP 55 CO -0.00 0.60 -0.20 0.71 0.02 0.00 0.00 176.95 178.08 1whh s TYR 56 N -2.34 2.68 -1.32 -1.98 1.51 -1.23 -2.63 117.35 112.03 1whh s TYR 56 Ca 0.32 -1.02 -0.06 0.00 -1.01 0.00 0.00 57.07 55.30 1whh s TYR 56 Cb -0.06 -1.79 0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1whh s TYR 56 CO 0.20 -0.43 2.53 0.41 -1.11 0.00 0.00 175.55 177.15 1whh n GLY 57 N 3.73 4.98 3.77 0.71 0.00 0.21 -3.83 105.19 114.75 1whh n GLY 57 Ca -0.19 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.57 3.05 -0.18 -0.61 1.01 -1.22 -2.74 121.20 119.93 1whh s ILE 58 Ca 0.57 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.94 1whh s ILE 58 Cb 0.19 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.36 1whh s ILE 58 CO -0.09 -0.09 -0.19 -0.70 0.00 0.00 0.00 174.94 173.87 1whh s GLU 59 N -3.06 3.03 1.20 2.79 2.12 -1.08 -0.63 118.70 123.08 1whh s GLU 59 Ca 0.70 -0.81 -0.20 0.00 0.36 0.00 0.00 54.97 55.02 1whh s GLU 59 Cb -0.27 -2.60 0.29 0.00 0.26 0.00 0.00 34.13 31.81 1whh s GLU 59 CO 0.31 -0.19 1.16 1.28 -0.54 0.00 0.00 175.26 177.28 1whh n LEU 60 N 4.59 0.00 -0.07 2.70 4.77 -0.40 -3.88 117.00 124.70 1whh n LEU 60 Ca -0.21 -1.24 -0.07 0.00 -0.03 0.00 0.00 56.01 54.46 1whh n LEU 60 Cb 0.50 -1.02 -0.12 0.00 -2.33 0.00 0.00 43.42 40.45 1whh n LEU 60 CO 0.26 -2.04 -0.98 0.47 -1.33 0.00 0.00 177.39 173.77 1whh n ASP 61 N -4.69 1.24 -4.51 -1.43 8.00 -1.26 -4.87 116.55 109.02 1whh n ASP 61 Ca 0.16 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.36 1whh n ASP 61 Cb 0.60 0.92 -0.11 0.00 -0.02 0.00 0.00 41.12 42.50 1whh n ASP 61 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1whh s GLN 62 N -2.40 2.03 -0.75 -1.24 -0.21 -1.26 -5.04 119.66 110.78 1whh s GLN 62 Ca -0.07 -1.04 -0.26 0.00 0.02 0.00 0.00 55.36 54.01 1whh s GLN 62 Cb 0.05 -2.22 -0.13 0.00 1.00 0.00 0.00 33.01 31.70 1whh s GLN 62 CO 0.63 0.52 2.42 -2.14 -2.12 0.00 0.00 175.29 174.59 1whh s PRO 63 N -1.88 1.63 -0.11 2.91 0.02 -1.26 -4.35 135.00 131.97 1whh s PRO 63 Ca 0.18 0.61 0.04 0.00 0.02 0.00 0.00 61.00 61.85 1whh s PRO 63 Cb -0.11 -4.76 0.14 0.00 0.02 0.00 0.00 34.50 29.79 1whh s PRO 63 CO 0.09 -4.35 0.84 -2.37 -0.33 0.00 0.00 177.00 170.89 1whh n THR 64 N 8.72 0.00 0.00 0.99 5.66 0.18 -4.99 114.28 124.84 1whh n THR 64 Ca 0.46 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1whh n THR 64 Cb 0.44 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 1whh n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1whh n GLY 65 N -0.52 0.86 1.86 1.09 0.00 -0.10 -4.94 105.19 103.44 1whh n GLY 65 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1whh n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whh n LYS 66 N 0.00 0.00 -4.46 1.61 5.02 -0.93 -4.94 118.16 114.46 1whh n LYS 66 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1whh n LYS 66 Cb 0.00 -0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1whh n LYS 66 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1whh s HIS 67 N -1.93 1.89 -0.46 2.13 -3.43 -1.21 -4.95 115.29 107.32 1whh s HIS 67 Ca 0.00 -1.05 0.02 0.00 -0.80 0.00 0.00 55.06 53.23 1whh s HIS 67 Cb 0.00 -1.23 0.56 0.00 -1.43 0.00 0.00 32.58 30.48 1whh s HIS 67 CO 0.00 -0.09 1.89 -3.47 -2.00 0.00 0.00 174.74 171.07 1whh n ASP 68 N -0.82 4.63 0.00 7.38 -0.08 -1.26 -3.49 116.55 122.91 1whh n ASP 68 Ca -0.03 -3.51 0.00 0.00 -1.51 0.00 0.00 54.79 49.73 1whh n ASP 68 Cb 0.66 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1whh n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whh n GLY 69 N -0.93 2.62 3.68 0.27 0.00 -1.26 -4.55 105.19 105.03 1whh n GLY 69 Ca 0.55 -0.66 -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 0.00 6.21 -0.27 1.61 1.04 -1.26 -3.31 113.70 117.72 1whh s SER 70 Ca 0.00 0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.62 1whh s SER 70 Cb 0.00 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 64.02 1whh s SER 70 CO 0.00 0.07 -0.01 -0.69 0.98 0.00 0.00 173.24 173.60 1whh s VAL 71 N 0.90 3.25 -1.63 5.02 1.01 0.23 -4.58 120.40 124.60 1whh s VAL 71 Ca 0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1whh s VAL 71 Cb -0.13 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1whh s VAL 71 CO 0.04 0.11 0.09 0.49 0.00 0.00 0.00 175.10 175.82 1whh n PHE 72 N 4.73 -1.06 0.00 5.22 3.72 -1.26 -1.72 117.46 127.09 1whh n PHE 72 Ca -0.15 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1whh n PHE 72 Cb 0.47 -3.85 0.00 0.00 -0.94 0.00 0.00 39.48 35.15 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 -1.09 2.97 3.68 1.37 0.00 -1.26 -5.03 105.19 105.84 1whh n GLY 73 Ca -0.21 0.00 -0.42 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 -2.77 4.46 -0.12 1.61 1.01 -0.70 -4.99 120.40 118.90 1whh s VAL 74 Ca 0.00 1.76 -0.05 0.00 0.00 0.00 0.00 61.98 63.69 1whh s VAL 74 Cb 0.00 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1whh s VAL 74 CO 0.00 -0.03 0.04 -0.60 0.00 0.00 0.00 175.10 174.51 1whh s ARG 75 N 2.39 3.38 -0.10 2.72 3.52 -1.26 0.76 118.95 130.36 1whh s ARG 75 Ca 0.52 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.77 1whh s ARG 75 Cb -0.22 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 1whh s ARG 75 CO 0.18 0.58 -0.10 0.66 -0.81 0.00 0.00 175.30 175.82 1whh n TYR 76 N 2.55 0.00 -3.81 5.12 4.02 -1.21 -5.01 117.16 118.82 1whh n TYR 76 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.61 1whh n TYR 76 Cb 0.53 -0.36 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 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 -2.18 0.04 -0.24 -0.72 -0.71 -1.26 -4.94 117.98 107.96 1whh s PHE 77 Ca -0.13 -0.39 -0.17 0.00 -1.04 0.00 0.00 56.93 55.20 1whh s PHE 77 Cb 0.04 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1whh s PHE 77 CO 0.20 -0.87 0.45 -0.08 -1.34 0.00 0.00 175.22 173.59 1whh s THR 78 N -3.90 5.13 0.03 -4.49 -1.32 -1.26 -4.58 115.64 105.24 1whh s THR 78 Ca 0.12 0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 61.33 1whh s THR 78 Cb 0.00 -3.77 -0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1whh s THR 78 CO -0.02 0.15 0.05 0.00 -2.21 0.00 0.00 174.62 172.60 1whh n ALA 80 N 0.90 -2.28 -1.63 0.00 0.00 -1.26 -4.70 120.51 111.54 1whh n ALA 80 Ca -0.20 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 51.87 1whh n ALA 80 Cb 0.58 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1whh n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1whh n PRO 81 N -4.33 2.46 -3.02 0.00 -0.04 -1.26 -2.54 135.00 126.27 1whh n PRO 81 Ca 0.06 0.83 -0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1whh n PRO 81 Cb 0.54 -3.08 0.06 0.00 -0.04 0.00 0.00 33.50 30.98 1whh n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1whh n ARG 82 N 8.00 -3.44 0.00 0.54 1.74 -1.25 -4.57 116.66 117.68 1whh n ARG 82 Ca 0.24 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1whh n ARG 82 Cb 0.42 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 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 -3.18 0.00 -1.75 -1.55 8.25 -1.05 0.48 115.22 116.43 1whh n HIS 83 Ca -0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.92 1whh n HIS 83 Cb 0.61 0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.87 1whh n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1whh n GLY 84 N 2.58 0.92 2.92 -1.41 0.00 -1.23 -1.27 105.19 107.70 1whh n GLY 84 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1whh n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1whh s VAL 85 N -1.19 -0.41 -0.20 1.61 -7.23 0.20 -2.20 120.40 110.98 1whh s VAL 85 Ca 0.60 0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 60.73 1whh s VAL 85 Cb -0.47 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1whh s VAL 85 CO 0.58 -0.01 0.44 -0.36 -0.31 0.00 0.00 175.10 175.45 1whh s PHE 86 N 2.41 3.37 -0.03 2.82 0.08 -1.26 -3.42 117.98 121.95 1whh s PHE 86 Ca 0.04 0.67 -0.06 0.00 0.12 0.00 0.00 56.93 57.70 1whh s PHE 86 Cb -0.13 -2.58 0.01 0.00 -0.57 0.00 0.00 43.02 39.75 1whh s PHE 86 CO -0.10 -0.04 0.15 0.00 -0.10 0.00 0.00 175.22 175.12 1whh s ALA 87 N 1.41 -0.36 0.42 5.36 0.00 -1.25 -4.95 121.76 122.39 1whh s ALA 87 Ca 0.21 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 52.07 1whh s ALA 87 Cb -0.15 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 1whh s ALA 87 CO 0.09 -0.14 1.37 -2.30 0.00 0.00 0.00 175.76 174.78 1whh n PRO 88 N 2.24 2.18 -0.18 0.00 -0.02 -1.26 -3.57 135.00 134.38 1whh n PRO 88 Ca -0.18 0.77 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 1whh n PRO 88 Cb 0.57 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 2.31 0.18 -0.18 3.55 0.00 -1.88 1.46 119.26 124.70 1whh h ALA 89 Ca -0.49 0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1whh h ALA 89 Cb 1.28 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1whh h ALA 89 CO 0.61 -0.55 0.24 0.77 0.00 0.00 0.00 179.25 180.33 1whh h SER 90 N -0.10 0.00 0.74 0.00 0.02 -1.93 0.89 113.55 113.17 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 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1whh h SER 90 CO -0.61 0.00 -0.64 0.54 -1.14 0.00 0.00 176.83 174.97 1whh n ARG 91 N -3.58 0.23 -4.54 3.45 1.74 0.47 -4.86 116.66 109.57 1whh n ARG 91 Ca 0.02 0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 1whh n ARG 91 Cb 0.36 -1.63 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 1whh n ARG 91 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1whh s ILE 92 N -3.14 3.80 0.44 0.55 1.01 0.31 0.44 121.20 124.61 1whh s ILE 92 Ca 0.07 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1whh s ILE 92 Cb 0.14 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1whh s ILE 92 CO 0.72 0.55 0.38 -1.10 0.00 0.00 0.00 174.94 175.49 1whh s GLN 93 N -0.98 2.46 -0.12 2.79 -0.21 -0.34 -4.83 119.66 118.43 1whh s GLN 93 Ca 0.14 -1.64 0.02 0.00 0.02 0.00 0.00 55.36 53.90 1whh s GLN 93 Cb -0.11 -2.31 0.01 0.00 1.00 0.00 0.00 33.01 31.60 1whh s GLN 93 CO 0.03 -0.27 -0.19 0.50 -2.12 0.00 0.00 175.29 173.24 1whh s ARG 94 N -4.15 2.70 -0.18 2.91 3.52 -1.26 -1.14 118.95 121.35 1whh s ARG 94 Ca 0.46 -0.74 -0.15 0.00 -0.13 0.00 0.00 55.73 55.17 1whh s ARG 94 Cb -0.02 -2.20 -0.07 0.00 -1.56 0.00 0.00 34.95 31.10 1whh s ARG 94 CO 0.27 -0.02 -0.26 -0.89 -0.81 0.00 0.00 175.30 173.59 1whh n ILE 95 N 4.08 1.48 -2.64 4.11 5.41 -0.81 -4.96 119.36 126.03 1whh n ILE 95 Ca -0.20 0.09 -0.07 0.00 1.00 0.00 0.00 62.75 63.58 1whh n ILE 95 Cb 0.51 -2.29 0.03 0.00 -0.71 0.00 0.00 39.64 37.19 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 1.48 -0.60 3.75 7.39 0.00 -1.23 -5.04 105.19 110.94 1whh n GLY 96 Ca -0.18 0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.10 5.14 0.00 1.61 1.04 -1.26 -5.06 113.70 112.07 1whh s SER 97 Ca 0.22 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1whh s SER 97 Cb -0.03 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1whh s SER 97 CO 0.50 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.34 1whh n GLY 98 N -0.76 0.93 3.25 7.32 0.00 -1.26 -4.94 105.19 109.72 1whh n GLY 98 Ca -0.08 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 1whh n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whh n PRO 99 N -1.67 -1.83 0.20 1.61 -0.02 -1.26 -4.98 135.00 127.04 1whh n PRO 99 Ca 0.00 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 1whh n PRO 99 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1whh n PRO 99 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whh n SER 100 N -1.85 -3.03 -3.50 2.55 2.88 -1.26 -5.17 113.62 104.25 1whh n SER 100 Ca 0.01 0.74 -0.13 0.00 -1.33 0.00 0.00 58.87 58.16 1whh n SER 100 Cb 0.60 2.89 -0.05 0.00 -0.75 0.00 0.00 64.21 66.90 1whh n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whh s SER 101 N -2.53 0.59 0.00 -3.46 0.01 -1.26 -5.35 113.70 101.70 1whh s SER 101 Ca 0.00 -1.34 0.20 0.00 1.31 0.00 0.00 55.95 56.13 1whh s SER 101 Cb 0.00 0.63 0.16 0.00 0.21 0.00 0.00 66.02 67.02 1whh s SER 101 CO 0.00 -1.23 1.15 0.61 0.41 0.00 0.00 173.24 174.18