#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrr n LYS 3 N 0.00 -1.76 0.00 0.00 4.01 -1.26 -4.93 118.16 114.22 2wrr n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2wrr n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2wrr n LYS 3 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2wrr n HIS 4 N -2.85 0.00 -1.58 2.13 8.25 -1.26 -4.46 115.22 115.45 2wrr n HIS 4 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 2wrr n HIS 4 Cb 0.00 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 2wrr n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2wrr n PRO 5 N -1.01 1.81 -3.66 -0.41 -0.02 -1.26 -4.96 135.00 125.48 2wrr n PRO 5 Ca 0.00 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 2wrr n PRO 5 Cb 0.00 -2.86 -0.08 0.00 -0.02 0.00 0.00 33.50 30.54 2wrr n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrr s VAL 6 N 6.84 -0.57 0.93 -1.45 0.11 -1.26 -4.77 120.40 120.23 2wrr s VAL 6 Ca 1.01 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 60.00 2wrr s VAL 6 Cb -0.58 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 33.46 2wrr s VAL 6 CO 0.43 0.03 0.22 -0.81 -3.33 0.00 0.00 175.10 171.64 2wrr n PRO 7 N 5.08 -0.17 0.00 1.54 -0.04 -1.26 -4.99 135.00 135.16 2wrr n PRO 7 Ca -0.14 -0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.36 2wrr n PRO 7 Cb 0.52 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2wrr n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wrr n LYS 8 N -0.87 2.23 -3.72 0.54 4.81 -1.26 -5.01 118.16 114.87 2wrr n LYS 8 Ca 0.06 -0.55 -0.14 0.00 -0.87 0.00 0.00 58.31 56.81 2wrr n LYS 8 Cb 0.53 -1.07 -0.09 0.00 0.02 0.00 0.00 35.03 34.43 2wrr n LYS 8 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2wrr s LYS 9 N -1.40 0.64 -0.67 1.64 -0.14 -1.26 -5.10 119.74 113.46 2wrr s LYS 9 Ca 0.08 0.17 -0.27 0.00 -1.36 0.00 0.00 55.97 54.60 2wrr s LYS 9 Cb 0.08 0.30 -0.01 0.00 -1.68 0.00 0.00 37.83 36.52 2wrr s LYS 9 CO 0.26 -0.15 1.69 0.21 -0.76 0.00 0.00 175.35 176.60 2wrr s LYS 10 N -0.69 2.80 -0.80 1.68 2.20 -1.26 -4.88 119.74 118.78 2wrr s LYS 10 Ca -0.08 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 2wrr s LYS 10 Cb -0.04 -4.37 -0.17 0.00 -1.51 0.00 0.00 37.83 31.74 2wrr s LYS 10 CO 0.03 -2.58 2.57 0.25 -0.36 0.00 0.00 175.35 175.26 2wrr n THR 11 N 6.99 -0.02 -1.44 3.43 -2.24 -1.26 -4.79 114.28 114.95 2wrr n THR 11 Ca 0.16 -0.24 -0.51 0.00 -2.27 0.00 0.00 64.05 61.19 2wrr n THR 11 Cb 0.51 -1.22 -0.04 0.00 -2.10 0.00 0.00 70.33 67.48 2wrr n THR 11 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wrr n SER 12 N 11.90 -0.71 -0.40 3.42 3.41 -1.26 -4.46 113.62 125.52 2wrr n SER 12 Ca 0.56 1.14 0.39 0.00 -0.26 0.00 0.00 58.87 60.70 2wrr n SER 12 Cb 0.18 -0.97 0.67 0.00 -0.26 0.00 0.00 64.21 63.83 2wrr n SER 12 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2wrr h LYS 13 N 1.65 0.00 0.00 4.33 1.57 -1.98 0.27 116.57 122.41 2wrr h LYS 13 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2wrr h LYS 13 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2wrr h LYS 13 CO 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.48 2wrr n ALA 14 N -2.61 0.00 0.01 3.86 0.00 -1.26 -2.40 120.51 118.12 2wrr n ALA 14 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.76 2wrr n ALA 14 Cb 1.61 0.00 0.05 0.00 0.00 0.00 0.00 19.45 21.10 2wrr n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wrr n ARG 15 N -0.47 0.01 0.06 0.00 0.63 -0.80 -1.35 116.66 114.75 2wrr n ARG 15 Ca 0.00 0.50 -0.13 0.00 -0.92 0.00 0.00 57.85 57.30 2wrr n ARG 15 Cb 0.00 -1.55 -0.09 0.00 0.45 0.00 0.00 32.46 31.27 2wrr n ARG 15 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2wrr h ARG 16 N 0.00 -0.19 -0.27 -0.14 2.43 -0.47 -3.11 114.38 112.63 2wrr h ARG 16 Ca 0.00 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2wrr h ARG 16 Cb 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2wrr h ARG 16 CO 0.00 0.21 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.20 2wrr h ASP 17 N -0.63 0.39 -0.62 -3.80 3.32 -0.85 -2.76 116.42 111.47 2wrr h ASP 17 Ca -0.02 -0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.09 2wrr h ASP 17 Cb 0.48 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.81 2wrr h ASP 17 CO 0.03 0.48 -0.12 0.00 -1.72 0.00 0.00 179.24 177.91 2wrr h ALA 18 N 1.57 0.46 0.07 3.45 0.00 -1.42 0.04 119.26 123.43 2wrr h ALA 18 Ca 0.09 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2wrr h ALA 18 Cb 0.32 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wrr h ALA 18 CO 0.01 -0.42 -0.03 -0.09 0.00 0.00 0.00 179.25 178.72 2wrr h ARG 19 N 0.02 -0.08 -4.55 0.00 2.43 -1.49 -3.16 114.38 107.56 2wrr h ARG 19 Ca 0.30 0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.85 2wrr h ARG 19 Cb 0.48 0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2wrr h ARG 19 CO -0.61 0.16 2.28 0.54 -1.51 0.00 0.00 179.97 180.82 2wrr n ARG 20 N -5.02 1.71 0.04 0.20 1.74 -0.01 -3.88 116.66 111.45 2wrr n ARG 20 Ca -0.08 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.97 2wrr n ARG 20 Cb 0.16 -3.06 0.00 0.00 -1.02 0.00 0.00 32.46 28.54 2wrr n ARG 20 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wrr n SER 21 N 8.02 0.26 0.00 0.55 3.41 -1.15 -4.73 113.62 119.99 2wrr n SER 21 Ca 0.49 0.13 0.02 0.00 -0.26 0.00 0.00 58.87 59.26 2wrr n SER 21 Cb 0.41 -0.01 0.12 0.00 -0.26 0.00 0.00 64.21 64.47 2wrr n SER 21 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wrr n HIS 22 N -3.11 0.00 0.86 7.33 8.25 -1.25 -3.77 115.22 123.53 2wrr n HIS 22 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wrr n HIS 22 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2wrr n HIS 22 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wrr n HIS 23 N -0.58 0.00 0.00 4.41 -0.00 -1.26 -4.68 115.22 113.11 2wrr n HIS 23 Ca 0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2wrr n HIS 23 Cb 0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 2wrr n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wrr n ALA 24 N 0.30 0.00 0.00 -1.41 0.00 -1.25 -5.08 120.51 113.07 2wrr n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrr n ALA 24 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2wrr n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrr n LEU 25 N 0.00 0.00 -4.56 0.00 4.77 -1.26 -5.11 117.00 110.84 2wrr n LEU 25 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2wrr n LEU 25 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2wrr n LEU 25 CO 0.00 0.00 0.93 0.28 -1.33 0.00 0.00 177.39 177.27 2wrr s THR 26 N -0.37 4.21 0.11 -5.08 -1.32 -1.26 -4.99 115.64 106.93 2wrr s THR 26 Ca 0.00 0.72 -0.34 0.00 -1.21 0.00 0.00 61.69 60.86 2wrr s THR 26 Cb 0.00 -4.62 -0.14 0.00 -1.51 0.00 0.00 72.50 66.23 2wrr s THR 26 CO 0.00 -1.18 1.61 -2.65 -2.21 0.00 0.00 174.62 170.20 2wrr n PRO 27 N 7.92 2.07 -1.68 7.08 -0.02 -1.26 -4.77 135.00 144.35 2wrr n PRO 27 Ca 0.06 0.75 -0.57 0.00 -2.02 0.00 0.00 63.50 61.72 2wrr n PRO 27 Cb 0.48 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2wrr n PRO 27 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wrr n PRO 28 N 3.92 1.09 -2.59 0.52 -0.04 -1.26 -4.82 135.00 131.82 2wrr n PRO 28 Ca 0.18 0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 2wrr n PRO 28 Cb 0.28 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 2wrr n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wrr s THR 29 N 3.98 4.01 -0.02 0.52 -4.23 -1.26 -4.98 115.64 113.65 2wrr s THR 29 Ca 1.00 -0.91 -0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2wrr s THR 29 Cb -1.07 -5.04 -0.04 0.00 1.34 0.00 0.00 72.50 67.68 2wrr s THR 29 CO 0.65 -1.91 0.05 -0.76 -0.54 0.00 0.00 174.62 172.11 2wrr s LEU 30 N 4.72 3.77 0.05 4.79 1.43 -1.26 -4.22 118.68 127.95 2wrr s LEU 30 Ca 0.45 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 2wrr s LEU 30 Cb -0.00 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2wrr s LEU 30 CO -0.09 0.30 -0.14 0.68 0.23 0.00 0.00 176.35 177.33 2wrr s VAL 31 N -1.11 1.07 -0.30 -1.59 -7.23 0.09 -4.95 120.40 106.38 2wrr s VAL 31 Ca 0.20 -1.08 -0.37 0.00 -1.81 0.00 0.00 61.98 58.92 2wrr s VAL 31 Cb -0.12 -0.99 -0.13 0.00 0.56 0.00 0.00 36.38 35.70 2wrr s VAL 31 CO 0.11 -0.08 2.01 -2.65 -0.31 0.00 0.00 175.10 174.18 2wrr n PRO 32 N 1.71 1.21 -2.79 4.82 -0.02 -1.26 -3.36 135.00 135.31 2wrr n PRO 32 Ca -0.19 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 2wrr n PRO 32 Cb 0.55 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2wrr n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrr s PRO 34 N 2.64 3.62 0.00 0.00 0.04 -1.26 -3.31 135.00 136.73 2wrr s PRO 34 Ca 0.40 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 60.10 2wrr s PRO 34 Cb -0.16 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.12 2wrr s PRO 34 CO 0.10 -2.10 0.00 0.39 0.04 0.00 0.00 177.00 175.42 2wrr n GLU 35 N 8.26 0.00 -4.08 4.56 -0.58 -1.26 -4.99 120.64 122.55 2wrr n GLU 35 Ca 0.32 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.95 2wrr n GLU 35 Cb 0.50 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.26 2wrr n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrr n LYS 37 N 0.91 1.26 -3.96 0.00 2.85 -1.26 -4.59 118.16 113.37 2wrr n LYS 37 Ca -0.19 -0.60 -0.21 0.00 -1.05 0.00 0.00 58.31 56.26 2wrr n LYS 37 Cb 0.57 -1.23 -0.04 0.00 -0.65 0.00 0.00 35.03 33.68 2wrr n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wrr s ALA 38 N -0.66 3.73 -0.20 0.58 0.00 -1.26 -5.08 121.76 118.87 2wrr s ALA 38 Ca 0.11 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2wrr s ALA 38 Cb 0.09 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2wrr s ALA 38 CO 0.02 0.14 -0.15 -1.64 0.00 0.00 0.00 175.76 174.12 2wrr s MET 39 N -3.92 2.99 0.26 0.00 -1.94 -1.26 -3.11 119.30 112.31 2wrr s MET 39 Ca 0.37 -0.85 0.03 0.00 -1.71 0.00 0.00 55.69 53.53 2wrr s MET 39 Cb -0.07 -2.71 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 2wrr s MET 39 CO 0.26 -0.25 0.04 -1.59 -0.01 0.00 0.00 175.02 173.47 2wrr s LYS 40 N 1.31 1.43 0.59 2.03 -2.85 -1.21 -4.96 119.74 116.07 2wrr s LYS 40 Ca 0.04 -1.76 -0.13 0.00 -1.00 0.00 0.00 55.97 53.12 2wrr s LYS 40 Cb -0.14 -0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 35.00 2wrr s LYS 40 CO -0.10 -0.17 1.02 -1.25 0.10 0.00 0.00 175.35 174.94 2wrr s PRO 41 N -3.92 3.69 -0.16 1.78 0.04 -1.26 -0.73 135.00 134.43 2wrr s PRO 41 Ca 0.33 0.84 -0.37 0.00 0.04 0.00 0.00 61.00 61.84 2wrr s PRO 41 Cb 0.07 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 2wrr s PRO 41 CO 0.12 -0.49 1.80 -2.30 0.04 0.00 0.00 177.00 176.16 2wrr n PRO 42 N -2.35 1.70 -0.87 0.56 -0.02 -1.26 -1.52 135.00 131.24 2wrr n PRO 42 Ca 0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2wrr n PRO 42 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2wrr n PRO 42 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wrr n HIS 43 N 5.91 0.00 -0.53 6.00 8.25 -1.26 -5.04 115.22 128.55 2wrr n HIS 43 Ca 0.24 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.65 2wrr n HIS 43 Cb 0.22 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 2wrr n HIS 43 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2wrr n THR 44 N -2.00 0.00 -2.73 1.59 -1.04 -0.58 -5.05 114.28 104.47 2wrr n THR 44 Ca 0.00 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 2wrr n THR 44 Cb 0.00 -0.94 0.08 0.00 -1.82 0.00 0.00 70.33 67.65 2wrr n THR 44 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wrr n VAL 45 N -2.97 0.00 -2.67 12.58 0.31 -1.26 -4.94 118.33 119.38 2wrr n VAL 45 Ca 0.03 -1.48 -0.30 0.00 -0.01 0.00 0.00 64.34 62.58 2wrr n VAL 45 Cb 0.10 1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 34.50 2wrr n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrr n PRO 47 N -1.61 0.38 -2.69 0.00 -0.04 -1.26 -2.68 135.00 127.10 2wrr n PRO 47 Ca 0.03 -0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 2wrr n PRO 47 Cb 0.54 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2wrr n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wrr n GLU 48 N 2.60 1.81 0.00 0.54 -0.58 -1.26 -4.94 120.64 118.81 2wrr n GLU 48 Ca 0.07 -3.66 0.00 0.00 -0.42 0.00 0.00 57.16 53.15 2wrr n GLU 48 Cb 0.18 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 2wrr n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrr n GLY 50 N 0.00 0.36 3.13 0.00 0.00 -1.09 -4.84 105.19 102.74 2wrr n GLY 50 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 2wrr n GLY 50 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wrr s TYR 51 N 0.00 0.78 -0.14 1.61 5.04 -1.24 -4.51 117.35 118.88 2wrr s TYR 51 Ca 0.00 -0.80 -0.29 0.00 -2.44 0.00 0.00 57.07 53.54 2wrr s TYR 51 Cb 0.00 -0.46 -0.05 0.00 0.35 0.00 0.00 41.96 41.79 2wrr s TYR 51 CO 0.00 -0.15 1.88 1.52 -1.34 0.00 0.00 175.55 177.46 2wrr s TYR 52 N -2.96 1.60 -1.66 4.97 -0.85 -1.26 0.70 117.35 117.89 2wrr s TYR 52 Ca 0.05 0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.83 2wrr s TYR 52 Cb 0.01 -4.04 0.00 0.00 0.38 0.00 0.00 41.96 38.31 2wrr s TYR 52 CO -0.04 -4.06 0.00 0.00 -1.52 0.00 0.00 175.55 169.94 2wrr n ALA 53 N 9.01 -0.44 -2.90 9.51 0.00 -1.26 -4.95 120.51 129.48 2wrr n ALA 53 Ca 0.22 0.19 -0.38 0.00 0.00 0.00 0.00 53.44 53.48 2wrr n ALA 53 Cb 0.44 -1.92 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 2wrr n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wrr s GLY 54 N -2.40 1.84 -0.13 0.00 0.00 0.22 -5.03 107.32 101.81 2wrr s GLY 54 Ca 0.00 -1.27 -0.33 0.00 0.00 0.00 0.00 44.72 43.11 2wrr s GLY 54 CO 0.00 0.64 0.98 -2.13 0.00 0.00 0.00 173.10 172.59 2wrr n ARG 55 N 4.97 0.00 -4.19 2.90 3.00 -1.26 -3.73 116.66 118.36 2wrr n ARG 55 Ca -0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.54 2wrr n ARG 55 Cb 0.50 -1.18 -0.14 0.00 0.00 0.00 0.00 32.46 31.64 2wrr n ARG 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2wrr s LYS 56 N 0.80 0.52 0.02 -0.14 -2.85 -1.26 -4.77 119.74 112.07 2wrr s LYS 56 Ca 0.75 -0.35 -0.05 0.00 -1.00 0.00 0.00 55.97 55.33 2wrr s LYS 56 Cb -1.06 -0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 34.23 2wrr s LYS 56 CO 0.52 0.12 0.62 0.28 0.10 0.00 0.00 175.35 176.99 2wrr n VAL 57 N 2.60 -0.11 -3.97 1.79 0.31 -1.26 -4.72 118.33 112.97 2wrr n VAL 57 Ca -0.15 0.95 -0.12 0.00 -0.01 0.00 0.00 64.34 65.01 2wrr n VAL 57 Cb 0.57 -1.23 -0.02 0.00 -0.91 0.00 0.00 33.84 32.25 2wrr n VAL 57 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wrr s LEU 58 N -6.30 0.52 0.00 7.52 1.02 -1.26 -5.17 118.68 115.01 2wrr s LEU 58 Ca -0.02 -1.26 0.00 0.00 0.02 0.00 0.00 54.13 52.87 2wrr s LEU 58 Cb 0.02 2.05 0.00 0.00 0.02 0.00 0.00 46.19 48.28 2wrr s LEU 58 CO 0.10 -1.42 0.00 -1.84 0.02 0.00 0.00 176.35 173.20 2wrr n GLU 59 N -0.53 0.00 0.00 1.70 0.28 -1.26 -5.08 120.64 115.75 2wrr n GLU 59 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2wrr n GLU 59 Cb 0.61 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.48 2wrr n GLU 59 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25