#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gby h ALA 0 N 0.00 1.81 -0.48 5.41 0.00 -2.06 -2.37 119.26 121.58 3gby h ALA 0 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gby h ALA 0 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gby h ALA 0 CO 0.00 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 177.94 3gby n SER 1 N -3.99 3.38 -4.75 0.00 3.41 -1.26 -4.64 113.62 105.77 3gby n SER 1 Ca 0.00 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 3gby n SER 1 Cb 0.23 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 3gby n SER 1 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3gby n VAL 2 N 1.21 1.26 -4.19 -3.33 3.14 -0.89 -4.88 118.33 110.65 3gby n VAL 2 Ca 0.18 -0.31 -0.22 0.00 -2.96 0.00 0.00 64.34 61.02 3gby n VAL 2 Cb 0.54 -1.95 -0.06 0.00 -1.06 0.00 0.00 33.84 31.31 3gby n VAL 2 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3gby s THR 3 N -0.27 4.03 0.37 1.55 -4.23 -1.26 -1.02 115.64 114.80 3gby s THR 3 Ca 0.61 -1.61 0.12 0.00 -1.18 0.00 0.00 61.69 59.63 3gby s THR 3 Cb -0.50 -3.16 0.34 0.00 1.34 0.00 0.00 72.50 70.52 3gby s THR 3 CO 0.52 -0.35 1.85 -0.26 -0.54 0.00 0.00 174.62 175.84 3gby h PHE 4 N 1.68 0.74 -1.13 3.99 0.04 -0.99 -1.95 116.94 119.33 3gby h PHE 4 Ca -0.47 0.02 0.34 0.00 2.80 0.00 0.00 57.97 60.66 3gby h PHE 4 Cb 1.24 -0.23 -0.12 0.00 2.20 0.00 0.00 35.95 39.04 3gby h PHE 4 CO 0.61 0.23 0.71 0.66 -0.60 0.00 0.00 178.31 179.92 3gby h SER 5 N 0.59 0.40 -0.60 2.17 4.64 -0.98 -1.10 113.55 118.67 3gby h SER 5 Ca 0.47 0.13 0.08 0.00 -0.47 0.00 0.00 61.79 62.00 3gby h SER 5 Cb 0.91 0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 3gby h SER 5 CO -0.22 -0.06 0.40 0.22 -0.87 0.00 0.00 176.83 176.31 3gby h TYR 6 N 0.28 0.50 -0.40 4.77 3.20 -1.63 -1.91 116.97 121.78 3gby h TYR 6 Ca 0.70 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.59 3gby h TYR 6 Cb 1.90 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 40.01 3gby h TYR 6 CO -0.01 0.25 0.00 1.28 -1.64 0.00 0.00 178.16 178.05 3gby n LEU 7 N -4.48 3.09 -4.76 2.82 4.77 -0.44 -5.02 117.00 112.99 3gby n LEU 7 Ca 0.09 -1.89 -0.41 0.00 -0.03 0.00 0.00 56.01 53.77 3gby n LEU 7 Cb 0.31 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3gby n LEU 7 CO 0.34 0.76 1.11 0.00 -1.33 0.00 0.00 177.39 178.27 3gby s ALA 8 N -1.02 3.61 -0.03 -1.18 0.00 -0.72 -4.68 121.76 117.73 3gby s ALA 8 Ca 0.29 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.73 3gby s ALA 8 Cb 0.15 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3gby s ALA 8 CO 0.20 -0.85 -0.20 -1.21 0.00 0.00 0.00 175.76 173.70 3gby s GLU 9 N -1.20 1.85 -0.00 0.00 2.02 0.73 -4.94 118.70 117.15 3gby s GLU 9 Ca 0.56 -0.70 0.05 0.00 0.02 0.00 0.00 54.97 54.90 3gby s GLU 9 Cb -0.44 -1.66 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 3gby s GLU 9 CO 0.52 0.34 0.19 0.25 0.02 0.00 0.00 175.26 176.58 3gby n THR 10 N 2.89 0.00 -1.69 3.63 -2.24 -1.26 -0.58 114.28 115.03 3gby n THR 10 Ca -0.17 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 3gby n THR 10 Cb 0.53 0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 3gby n THR 10 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gby n ASP 11 N -1.24 4.57 -3.84 3.42 2.03 -1.26 -4.84 116.55 115.38 3gby n ASP 11 Ca 0.01 -2.81 -0.12 0.00 0.52 0.00 0.00 54.79 52.39 3gby n ASP 11 Cb 0.09 -1.64 -0.12 0.00 -0.72 0.00 0.00 41.12 38.73 3gby n ASP 11 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3gby s TYR 12 N 2.98 -0.08 0.38 -0.67 5.04 -1.26 -5.13 117.35 118.61 3gby s TYR 12 Ca 0.50 0.19 -0.27 0.00 -2.44 0.00 0.00 57.07 55.05 3gby s TYR 12 Cb 0.14 0.01 -0.11 0.00 0.35 0.00 0.00 41.96 42.36 3gby s TYR 12 CO -0.08 -0.14 1.34 -2.30 -1.34 0.00 0.00 175.55 173.03 3gby n PRO 13 N 2.51 2.23 -3.82 4.97 -0.02 -1.26 -5.01 135.00 134.59 3gby n PRO 13 Ca -0.16 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 61.98 3gby n PRO 13 Cb 0.58 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 3gby n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gby s VAL 14 N -1.13 -0.02 0.41 -1.45 1.01 -1.26 -4.11 120.40 113.85 3gby s VAL 14 Ca 0.56 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.67 3gby s VAL 14 Cb -0.52 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.67 3gby s VAL 14 CO 0.61 0.02 0.10 -0.36 0.00 0.00 0.00 175.10 175.48 3gby s PHE 15 N 0.36 2.56 -0.02 5.22 0.08 -0.58 -5.02 117.98 120.58 3gby s PHE 15 Ca -0.03 -0.63 0.06 0.00 0.12 0.00 0.00 56.93 56.46 3gby s PHE 15 Cb -0.04 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3gby s PHE 15 CO -0.01 0.30 -0.20 0.95 -0.10 0.00 0.00 175.22 176.15 3gby s THR 16 N -2.65 1.63 0.20 0.64 -4.23 -1.26 -0.49 115.64 109.47 3gby s THR 16 Ca 0.38 -0.87 -0.32 0.00 -1.18 0.00 0.00 61.69 59.69 3gby s THR 16 Cb 0.07 -1.36 -0.14 0.00 1.34 0.00 0.00 72.50 72.41 3gby s THR 16 CO 0.20 0.46 1.33 -0.11 -0.54 0.00 0.00 174.62 175.97 3gby n LEU 17 N 2.64 2.46 0.00 4.79 7.94 0.14 -1.42 117.00 133.54 3gby n LEU 17 Ca -0.16 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 3gby n LEU 17 Cb 0.53 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.14 3gby n LEU 17 CO 0.24 -0.79 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 3gby n GLY 18 N 2.25 0.86 3.90 -3.96 0.00 0.24 -4.94 105.19 103.53 3gby n GLY 18 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3gby n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gby s GLY 19 N -1.87 1.60 0.04 -0.02 0.00 -0.51 -4.38 107.32 102.18 3gby s GLY 19 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 3gby s GLY 19 CO 0.00 -0.18 1.76 -0.45 0.00 0.00 0.00 173.10 174.23 3gby s SER 20 N -4.56 6.55 0.20 1.64 0.15 -1.26 0.08 113.70 116.50 3gby s SER 20 Ca 0.62 2.51 -0.08 0.00 0.70 0.00 0.00 55.95 59.70 3gby s SER 20 Cb -0.11 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.77 3gby s SER 20 CO 0.49 -0.95 1.68 0.74 1.20 0.00 0.00 173.24 176.39 3gby h THR 21 N 5.18 1.26 -0.49 6.45 2.02 -1.69 -1.99 112.91 123.66 3gby h THR 21 Ca -0.44 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 65.56 3gby h THR 21 Cb 1.21 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3gby h THR 21 CO 0.94 0.40 -0.08 0.00 0.37 0.00 0.00 175.52 177.15 3gby h ALA 22 N 1.06 0.67 -0.72 6.16 0.00 -1.79 0.13 119.26 124.77 3gby h ALA 22 Ca 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3gby h ALA 22 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3gby h ALA 22 CO 0.02 0.55 0.38 -0.44 0.00 0.00 0.00 179.25 179.76 3gby h ASP 23 N 0.77 0.92 -0.37 0.00 3.32 -1.92 -1.01 116.42 118.13 3gby h ASP 23 Ca 0.13 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3gby h ASP 23 Cb 0.62 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3gby h ASP 23 CO 0.04 0.76 0.19 0.00 -1.72 0.00 0.00 179.24 178.51 3gby h ALA 24 N 1.19 0.47 -0.61 3.45 0.00 -1.03 -0.59 119.26 122.14 3gby h ALA 24 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gby h ALA 24 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3gby h ALA 24 CO -0.04 0.02 0.38 0.00 0.00 0.00 0.00 179.25 179.61 3gby h ALA 25 N 1.04 0.78 -0.90 0.00 0.00 -0.71 0.32 119.26 119.79 3gby h ALA 25 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gby h ALA 25 Cb 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3gby h ALA 25 CO -0.02 0.24 0.51 0.00 0.00 0.00 0.00 179.25 179.99 3gby h ARG 26 N 0.83 1.25 -0.32 0.00 3.08 -0.94 -1.20 114.38 117.07 3gby h ARG 26 Ca 0.22 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 3gby h ARG 26 Cb -0.04 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 3gby h ARG 26 CO -0.04 0.90 -0.28 -0.09 -1.07 0.00 0.00 179.97 179.38 3gby h ARG 27 N 1.26 0.76 0.11 0.04 2.43 -0.63 -0.77 114.38 117.58 3gby h ARG 27 Ca 0.32 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3gby h ARG 27 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3gby h ARG 27 CO -0.05 1.01 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.24 3gby h LEU 28 N 0.53 -0.29 -1.00 3.80 3.38 -0.76 -0.97 115.31 120.00 3gby h LEU 28 Ca 0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3gby h LEU 28 Cb 0.86 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 3gby h LEU 28 CO 0.07 -0.17 0.47 0.00 0.09 0.00 0.00 178.44 178.90 3gby h ALA 29 N 0.62 1.24 0.00 1.53 0.00 -1.15 -2.54 119.26 118.97 3gby h ALA 29 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3gby h ALA 29 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gby h ALA 29 CO -0.03 0.62 -0.31 0.00 0.00 0.00 0.00 179.25 179.53 3gby h ALA 30 N 1.34 0.92 -0.01 0.00 0.00 -0.83 -3.20 119.26 117.48 3gby h ALA 30 Ca 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gby h ALA 30 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gby h ALA 30 CO -0.05 0.39 -0.30 -1.13 0.00 0.00 0.00 179.25 178.15 3gby n SER 31 N -3.34 1.51 -0.65 0.00 3.41 -0.40 -4.94 113.62 109.20 3gby n SER 31 Ca 0.01 -1.21 -0.07 0.00 -0.26 0.00 0.00 58.87 57.34 3gby n SER 31 Cb 0.53 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 3gby n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gby n GLY 32 N 1.35 0.53 3.38 5.00 0.00 -1.05 -5.03 105.19 109.37 3gby n GLY 32 Ca 0.12 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 3gby n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gby h ALA 34 N 6.31 0.84 -2.31 0.00 0.00 -1.96 -3.39 119.26 118.76 3gby h ALA 34 Ca -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3gby h ALA 34 Cb 1.20 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 3gby h ALA 34 CO 0.53 0.00 0.27 0.00 0.00 0.00 0.00 179.25 180.05 3gby s ALA 36 N -2.22 -1.33 0.56 0.00 0.00 -0.49 -4.96 121.76 113.32 3gby s ALA 36 Ca -0.04 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 3gby s ALA 36 Cb -0.00 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 3gby s ALA 36 CO -0.00 -0.70 1.14 -1.25 0.00 0.00 0.00 175.76 174.95 3gby s PRO 37 N -3.65 3.24 -0.08 0.00 0.05 -1.26 -0.43 135.00 132.86 3gby s PRO 37 Ca 0.01 1.64 0.04 0.00 0.05 0.00 0.00 61.00 62.74 3gby s PRO 37 Cb 0.00 -1.99 0.00 0.00 0.05 0.00 0.00 34.50 32.57 3gby s PRO 37 CO -0.12 -0.95 -0.20 0.08 0.05 0.00 0.00 177.00 175.87 3gby s VAL 38 N -1.77 1.70 0.21 -0.36 1.01 0.51 -1.53 120.40 120.17 3gby s VAL 38 Ca 0.73 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3gby s VAL 38 Cb -0.25 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3gby s VAL 38 CO 0.29 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 175.09 3gby s LEU 39 N 0.41 3.19 -0.38 3.92 1.43 0.36 -0.86 118.68 126.74 3gby s LEU 39 Ca -0.16 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3gby s LEU 39 Cb -0.17 -1.80 0.11 0.00 0.03 0.00 0.00 46.19 44.36 3gby s LEU 39 CO 0.07 0.06 0.14 -0.62 0.23 0.00 0.00 176.35 176.23 3gby s ASP 40 N -3.16 5.05 1.41 2.29 -1.08 -0.35 -0.69 116.67 120.15 3gby s ASP 40 Ca 0.28 -2.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.23 3gby s ASP 40 Cb -0.08 -1.74 0.00 0.00 -1.46 0.00 0.00 42.92 39.64 3gby s ASP 40 CO 0.18 -0.47 0.00 0.61 0.52 0.00 0.00 175.17 176.01 3gby n GLY 41 N 4.45 2.22 0.72 2.66 0.00 -1.26 -1.89 105.19 112.08 3gby n GLY 41 Ca 0.00 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.79 3gby n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gby n GLU 42 N 12.82 1.97 -3.20 1.61 1.02 -1.26 -4.93 120.64 128.67 3gby n GLU 42 Ca 0.00 -1.43 -0.39 0.00 -0.02 0.00 0.00 57.16 55.32 3gby n GLU 42 Cb 0.00 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 3gby n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3gby s ARG 43 N -1.86 4.25 0.09 3.49 3.52 -0.79 -0.67 118.95 126.97 3gby s ARG 43 Ca 0.34 0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 56.17 3gby s ARG 43 Cb 0.20 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.97 3gby s ARG 43 CO 0.30 -0.10 1.62 -0.47 -0.81 0.00 0.00 175.30 175.84 3gby s TYR 44 N 1.46 2.59 -0.11 5.12 5.04 -0.32 -1.20 117.35 129.93 3gby s TYR 44 Ca 0.27 0.42 0.12 0.00 -2.44 0.00 0.00 57.07 55.44 3gby s TYR 44 Cb -0.16 -3.94 -0.17 0.00 0.35 0.00 0.00 41.96 38.04 3gby s TYR 44 CO 0.11 -3.70 0.09 1.28 -1.34 0.00 0.00 175.55 171.99 3gby n LEU 45 N 5.19 0.00 0.00 6.97 4.77 -0.04 -4.92 117.00 128.97 3gby n LEU 45 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3gby n LEU 45 Cb 0.40 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3gby n LEU 45 CO 0.62 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3gby n GLY 46 N 2.12 -0.53 3.63 -0.72 0.00 -1.20 -4.66 105.19 103.83 3gby n GLY 46 Ca -0.18 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3gby n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gby s VAL 48 N 0.00 -0.00 -0.13 1.61 0.11 0.43 -0.37 120.40 122.06 3gby s VAL 48 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 3gby s VAL 48 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 3gby s VAL 48 CO 0.00 0.00 0.05 -1.00 -3.33 0.00 0.00 175.10 170.82 3gby s HIS 49 N 0.78 3.29 0.26 1.54 3.76 -1.26 -1.40 115.29 122.25 3gby s HIS 49 Ca -0.03 0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.07 3gby s HIS 49 Cb -0.05 -1.92 0.50 0.00 1.11 0.00 0.00 32.58 32.22 3gby s HIS 49 CO -0.06 0.41 1.77 1.25 -0.85 0.00 0.00 174.74 177.26 3gby h LEU 50 N 5.65 0.53 -1.18 0.89 5.85 -1.34 -1.51 115.31 124.21 3gby h LEU 50 Ca -0.47 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3gby h LEU 50 Cb 1.19 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3gby h LEU 50 CO 0.61 0.24 0.44 0.77 -0.34 0.00 0.00 178.44 180.16 3gby h SER 51 N 0.63 0.89 -0.57 1.25 4.64 -1.95 -1.25 113.55 117.19 3gby h SER 51 Ca 0.45 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 3gby h SER 51 Cb 0.60 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3gby h SER 51 CO -0.35 0.69 0.22 -0.09 -0.87 0.00 0.00 176.83 176.43 3gby h ARG 52 N 1.02 0.86 -0.02 4.77 9.65 -1.69 -1.70 114.38 127.27 3gby h ARG 52 Ca 0.27 -0.16 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 3gby h ARG 52 Cb -0.04 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 3gby h ARG 52 CO -0.05 0.75 -0.31 -0.07 2.80 0.00 0.00 179.97 183.09 3gby h LEU 53 N 0.79 0.03 0.00 3.80 3.38 -0.57 -2.73 115.31 120.01 3gby h LEU 53 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3gby h LEU 53 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3gby h LEU 53 CO -0.01 0.34 -0.66 0.18 0.09 0.00 0.00 178.44 178.38 3gby n LEU 54 N -4.16 0.62 -4.50 1.67 4.77 -0.56 -4.52 117.00 110.32 3gby n LEU 54 Ca -0.02 0.11 -0.57 0.00 -0.03 0.00 0.00 56.01 55.51 3gby n LEU 54 Cb 0.36 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3gby n LEU 54 CO 0.38 0.02 1.59 1.21 -1.33 0.00 0.00 177.39 179.26 3gby n GLU 55 N -1.89 0.73 -0.62 3.23 2.13 -0.65 -0.68 120.64 122.89 3gby n GLU 55 Ca 0.04 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3gby n GLU 55 Cb 0.41 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.09 3gby n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gby n GLY 56 N 5.91 1.41 3.87 8.31 0.00 -1.26 -5.00 105.19 118.42 3gby n GLY 56 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 3gby n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gby s ARG 57 N -0.10 3.75 -0.15 1.61 1.81 0.14 -5.01 118.95 121.00 3gby s ARG 57 Ca 0.00 0.71 -0.23 0.00 -1.72 0.00 0.00 55.73 54.50 3gby s ARG 57 Cb 0.00 -2.19 -0.20 0.00 -0.45 0.00 0.00 34.95 32.11 3gby s ARG 57 CO 0.00 -0.33 0.52 0.87 -0.68 0.00 0.00 175.30 175.68 3gby h LYS 58 N 0.45 0.00 0.00 3.54 1.79 -1.95 -3.48 116.57 116.92 3gby h LYS 58 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3gby h LYS 58 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3gby h LYS 58 CO 0.62 0.81 0.00 0.41 -1.08 0.00 0.00 179.45 180.21 3gby n GLY 59 N 1.60 2.44 3.78 3.86 0.00 -1.26 -5.12 105.19 110.49 3gby n GLY 59 Ca -0.12 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3gby n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gby s TRP 60 N 2.70 2.74 0.72 1.61 0.52 -1.26 -4.87 118.94 121.11 3gby s TRP 60 Ca 0.00 1.53 -0.16 0.00 0.02 0.00 0.00 56.10 57.49 3gby s TRP 60 Cb 0.00 -3.08 -0.01 0.00 -1.15 0.00 0.00 33.47 29.23 3gby s TRP 60 CO 0.00 -1.54 0.80 -2.30 0.02 0.00 0.00 176.95 173.93 3gby n PRO 61 N -2.61 0.41 -0.94 4.98 -0.02 -1.26 -4.95 135.00 130.61 3gby n PRO 61 Ca 0.09 0.19 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 3gby n PRO 61 Cb 0.52 -2.07 0.14 0.00 -0.02 0.00 0.00 33.50 32.07 3gby n PRO 61 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gby s THR 62 N -1.87 2.59 0.32 3.45 -4.23 -1.26 -4.61 115.64 110.03 3gby s THR 62 Ca 0.70 0.19 0.02 0.00 -1.18 0.00 0.00 61.69 61.43 3gby s THR 62 Cb -0.34 -2.42 0.29 0.00 1.34 0.00 0.00 72.50 71.36 3gby s THR 62 CO 0.53 -0.25 1.92 0.58 -0.54 0.00 0.00 174.62 176.86 3gby h VAL 63 N -1.58 1.04 0.00 2.29 2.07 -2.02 -2.67 116.25 115.38 3gby h VAL 63 Ca -0.44 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3gby h VAL 63 Cb 1.26 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3gby h VAL 63 CO 0.46 0.17 -0.22 0.29 0.02 0.00 0.00 177.57 178.29 3gby n LYS 64 N -4.49 0.15 -1.95 1.57 4.76 -1.26 -4.89 118.16 112.04 3gby n LYS 64 Ca 0.13 0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 55.25 3gby n LYS 64 Cb 0.22 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 31.76 3gby n LYS 64 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gby s GLU 65 N -3.07 4.23 0.11 1.97 2.02 -1.01 -4.97 118.70 117.98 3gby s GLU 65 Ca 0.11 2.39 0.09 0.00 0.02 0.00 0.00 54.97 57.57 3gby s GLU 65 Cb 0.15 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 3gby s GLU 65 CO 0.62 -0.42 -0.20 0.15 0.02 0.00 0.00 175.26 175.43 3gby s LYS 66 N -1.11 1.74 -0.53 1.61 1.02 -1.26 -1.96 119.74 119.25 3gby s LYS 66 Ca 0.56 -1.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.08 3gby s LYS 66 Cb -0.43 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 3gby s LYS 66 CO 0.51 0.48 1.45 -1.17 -0.92 0.00 0.00 175.35 175.70 3gby s LEU 67 N -2.04 3.43 0.31 3.17 2.96 0.11 -4.75 118.68 121.88 3gby s LEU 67 Ca 0.17 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 3gby s LEU 67 Cb -0.10 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 3gby s LEU 67 CO 0.09 -1.70 0.24 -0.83 -1.32 0.00 0.00 176.35 172.82 3gby s GLY 68 N 4.59 1.70 0.50 7.98 0.00 -1.26 0.82 107.32 121.64 3gby s GLY 68 Ca 0.55 -1.62 0.27 0.00 0.00 0.00 0.00 44.72 43.93 3gby s GLY 68 CO 0.26 -1.58 1.98 0.83 0.00 0.00 0.00 173.10 174.60 3gby h GLU 69 N 1.37 0.00 0.00 2.90 5.08 -1.99 -2.26 114.58 119.69 3gby h GLU 69 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3gby h GLU 69 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3gby h GLU 69 CO 0.60 0.15 0.00 -0.85 -1.00 0.00 0.00 179.01 177.90 3gby n GLU 70 N -3.48 0.11 0.06 2.33 0.00 -1.26 -1.68 120.64 116.72 3gby n GLU 70 Ca -0.01 0.36 0.13 0.00 0.00 0.00 0.00 57.16 57.64 3gby n GLU 70 Cb 0.31 -1.71 0.41 0.00 0.00 0.00 0.00 31.44 30.45 3gby n GLU 70 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3gby n LEU 71 N -1.92 0.55 -4.82 -1.84 4.77 -0.85 -4.94 117.00 107.95 3gby n LEU 71 Ca 0.03 0.46 -0.36 0.00 -0.03 0.00 0.00 56.01 56.10 3gby n LEU 71 Cb 0.19 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3gby n LEU 71 CO 0.16 -0.09 0.31 -0.76 -1.33 0.00 0.00 177.39 175.69 3gby s LEU 72 N -3.95 4.39 -0.40 2.23 1.43 -0.67 -4.69 118.68 117.01 3gby s LEU 72 Ca 0.11 1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 54.24 3gby s LEU 72 Cb 0.15 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 43.09 3gby s LEU 72 CO 0.61 0.12 0.71 -1.61 0.23 0.00 0.00 176.35 176.41 3gby s GLU 73 N -1.75 3.52 -1.33 1.70 2.02 -1.26 -4.99 118.70 116.62 3gby s GLU 73 Ca 0.37 -0.04 -0.09 0.00 0.02 0.00 0.00 54.97 55.23 3gby s GLU 73 Cb -0.17 -3.88 0.13 0.00 0.10 0.00 0.00 34.13 30.31 3gby s GLU 73 CO 0.20 -0.93 2.06 0.25 0.02 0.00 0.00 175.26 176.86 3gby n THR 74 N 5.85 4.39 -2.16 3.63 -2.24 -1.26 -4.54 114.28 117.95 3gby n THR 74 Ca 0.01 -4.12 -0.28 0.00 -2.27 0.00 0.00 64.05 57.38 3gby n THR 74 Cb 0.48 -2.35 0.05 0.00 -2.10 0.00 0.00 70.33 66.40 3gby n THR 74 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3gby s VAL 75 N 0.55 3.29 0.67 2.28 -7.23 -1.26 -5.02 120.40 113.68 3gby s VAL 75 Ca 0.44 0.13 -0.15 0.00 -1.81 0.00 0.00 61.98 60.60 3gby s VAL 75 Cb 0.12 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.70 3gby s VAL 75 CO -0.03 -0.43 1.13 0.00 -0.31 0.00 0.00 175.10 175.46 3gby s ARG 76 N -5.20 2.70 0.37 4.82 1.70 -1.26 -4.88 118.95 117.20 3gby s ARG 76 Ca 0.57 1.46 0.08 0.00 -0.47 0.00 0.00 55.73 57.37 3gby s ARG 76 Cb -0.11 -1.93 -0.05 0.00 -0.57 0.00 0.00 34.95 32.29 3gby s ARG 76 CO 0.48 -1.34 0.12 -1.54 -1.08 0.00 0.00 175.30 171.94 3gby s SER 77 N -2.47 4.41 0.08 -2.89 1.04 -1.26 -4.50 113.70 108.12 3gby s SER 77 Ca 0.68 -0.98 0.10 0.00 0.48 0.00 0.00 55.95 56.23 3gby s SER 77 Cb -0.22 -0.56 -0.03 0.00 0.10 0.00 0.00 66.02 65.31 3gby s SER 77 CO 0.42 -0.39 -0.26 -0.31 0.98 0.00 0.00 173.24 173.67 3gby s TYR 78 N -2.53 2.24 0.35 5.02 2.02 -0.54 -4.89 117.35 119.02 3gby s TYR 78 Ca 0.38 -0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 56.43 3gby s TYR 78 Cb 0.01 -1.28 -0.09 0.00 -0.40 0.00 0.00 41.96 40.20 3gby s TYR 78 CO 0.22 0.22 1.06 1.03 -1.57 0.00 0.00 175.55 176.50 3gby s ARG 79 N -1.61 4.36 0.49 -0.62 0.52 -1.25 -0.90 118.95 119.95 3gby s ARG 79 Ca 0.12 1.61 0.24 0.00 -0.52 0.00 0.00 55.73 57.18 3gby s ARG 79 Cb -0.10 -2.80 1.30 0.00 0.52 0.00 0.00 34.95 33.87 3gby s ARG 79 CO 0.04 0.02 1.92 -1.35 0.02 0.00 0.00 175.30 175.94 3gby h PRO 80 N 3.03 0.15 -0.03 3.54 0.11 -1.95 -1.36 132.00 135.50 3gby h PRO 80 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gby h PRO 80 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gby h PRO 80 CO 0.64 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 3gby n GLY 81 N -1.62 -0.37 3.79 -0.55 0.00 -1.26 -0.36 105.19 104.82 3gby n GLY 81 Ca 0.15 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3gby n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gby s GLU 82 N -1.98 3.59 -0.10 1.61 2.02 -0.51 -4.82 118.70 118.50 3gby s GLU 82 Ca 0.40 1.40 -0.30 0.00 0.02 0.00 0.00 54.97 56.50 3gby s GLU 82 Cb 0.20 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 3gby s GLU 82 CO 0.33 -0.62 1.15 -0.65 0.02 0.00 0.00 175.26 175.49 3gby s GLN 83 N -3.40 4.34 0.19 1.61 -1.52 -1.26 -1.46 119.66 118.17 3gby s GLN 83 Ca 0.68 1.57 -0.11 0.00 -1.95 0.00 0.00 55.36 55.55 3gby s GLN 83 Cb -0.18 -3.59 0.17 0.00 -0.22 0.00 0.00 33.01 29.19 3gby s GLN 83 CO 0.25 -0.47 1.81 1.25 -0.25 0.00 0.00 175.29 177.87 3gby h LEU 84 N 8.50 0.50 0.00 2.90 5.85 -1.36 -2.45 115.31 129.24 3gby h LEU 84 Ca -0.31 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3gby h LEU 84 Cb 1.14 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3gby h LEU 84 CO 0.90 0.34 0.00 0.49 -0.34 0.00 0.00 178.44 179.82 3gby n PHE 85 N -4.81 0.00 1.19 1.25 3.72 -1.26 -1.03 117.46 116.53 3gby n PHE 85 Ca 0.06 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.59 3gby n PHE 85 Cb 0.13 -0.19 0.33 0.00 -0.94 0.00 0.00 39.48 38.81 3gby n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gby n ASP 86 N -1.19 1.04 -0.19 4.37 8.00 -0.92 -4.53 116.55 123.13 3gby n ASP 86 Ca 0.12 -0.87 0.01 0.00 0.71 0.00 0.00 54.79 54.76 3gby n ASP 86 Cb 0.13 0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.43 3gby n ASP 86 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gby n ASN 87 N -0.71 0.47 -0.16 -2.24 3.02 -0.19 -4.88 115.26 110.57 3gby n ASN 87 Ca 0.11 -1.69 -0.06 0.00 -0.03 0.00 0.00 54.58 52.91 3gby n ASN 87 Cb 0.36 -0.12 0.11 0.00 -0.61 0.00 0.00 39.78 39.52 3gby n ASN 87 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gby h LEU 88 N 0.00 0.89 -0.26 3.41 3.38 -1.75 -2.17 115.31 118.81 3gby h LEU 88 Ca 0.00 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3gby h LEU 88 Cb 1.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3gby h LEU 88 CO 0.00 0.93 0.14 0.40 0.09 0.00 0.00 178.44 180.00 3gby h ILE 89 N 0.86 1.01 -0.43 1.22 2.04 -1.91 -0.53 117.51 119.77 3gby h ILE 89 Ca 0.17 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 3gby h ILE 89 Cb 0.46 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3gby h ILE 89 CO 0.02 0.05 -0.23 0.77 0.00 0.00 0.00 178.15 178.76 3gby h SER 90 N 0.29 0.89 -0.57 1.72 4.64 -1.89 -2.05 113.55 116.58 3gby h SER 90 Ca 0.10 -0.34 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 3gby h SER 90 Cb 0.02 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 3gby h SER 90 CO -0.06 1.09 0.30 0.58 -0.87 0.00 0.00 176.83 177.86 3gby h VAL 91 N 0.75 1.19 0.00 0.95 2.07 -1.26 -2.33 116.25 117.63 3gby h VAL 91 Ca 0.10 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3gby h VAL 91 Cb 0.78 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3gby h VAL 91 CO 0.06 0.21 -0.11 0.00 0.02 0.00 0.00 177.57 177.75 3gby h ALA 92 N 1.13 1.77 0.00 1.67 0.00 -0.92 -2.74 119.26 120.18 3gby h ALA 92 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3gby h ALA 92 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gby h ALA 92 CO -0.03 0.14 -0.11 0.00 0.00 0.00 0.00 179.25 179.25 3gby n ALA 93 N -2.50 2.40 -1.76 0.00 0.00 -0.79 -4.93 120.51 112.93 3gby n ALA 93 Ca -0.03 -0.06 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 3gby n ALA 93 Cb 0.19 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.23 3gby n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gby s ALA 94 N -3.11 3.09 0.05 0.00 0.00 -0.92 -4.94 121.76 115.93 3gby s ALA 94 Ca 0.10 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 3gby s ALA 94 Cb 0.13 -3.49 -0.17 0.00 0.00 0.00 0.00 23.12 19.59 3gby s ALA 94 CO 0.62 -0.94 1.54 -0.22 0.00 0.00 0.00 175.76 176.76 3gby h LYS 95 N 2.22 -0.15 -7.08 0.00 3.64 -1.91 -3.43 116.57 109.86 3gby h LYS 95 Ca -0.50 0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.38 3gby h LYS 95 Cb 1.26 0.03 0.09 0.00 -0.41 0.00 0.00 32.23 33.20 3gby h LYS 95 CO 0.61 0.04 0.46 0.00 -2.27 0.00 0.00 179.45 178.29 3gby n SER 97 N -1.27 0.70 -4.43 0.00 3.41 -1.26 -4.75 113.62 106.02 3gby n SER 97 Ca 0.12 -1.01 -0.27 0.00 -0.26 0.00 0.00 58.87 57.45 3gby n SER 97 Cb 0.50 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.31 3gby n SER 97 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3gby s VAL 98 N -2.19 2.39 -0.04 -3.33 -7.23 -1.26 -0.33 120.40 108.41 3gby s VAL 98 Ca 0.37 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 3gby s VAL 98 Cb 0.21 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 3gby s VAL 98 CO 0.40 -0.08 -0.21 0.68 -0.31 0.00 0.00 175.10 175.59 3gby s VAL 99 N -1.57 2.50 0.30 1.32 -7.23 -0.24 -4.94 120.40 110.54 3gby s VAL 99 Ca 0.20 -0.93 -0.27 0.00 -1.81 0.00 0.00 61.98 59.18 3gby s VAL 99 Cb -0.08 -1.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 3gby s VAL 99 CO 0.10 0.58 0.93 -2.16 -0.31 0.00 0.00 175.10 174.24 3gby s PRO 100 N -0.55 4.62 -0.14 4.82 0.04 -1.26 -1.25 135.00 141.28 3gby s PRO 100 Ca 0.08 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.38 3gby s PRO 100 Cb -0.11 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 3gby s PRO 100 CO 0.01 0.33 0.13 -0.51 0.04 0.00 0.00 177.00 177.00 3gby s LEU 101 N -1.87 4.31 -0.04 -3.56 1.43 0.41 -1.46 118.68 117.90 3gby s LEU 101 Ca 0.48 0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 53.87 3gby s LEU 101 Cb -0.20 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.97 3gby s LEU 101 CO 0.25 0.34 0.21 0.00 0.23 0.00 0.00 176.35 177.38 3gby s ALA 102 N -0.60 -0.53 1.00 4.21 0.00 -0.08 -0.98 121.76 124.79 3gby s ALA 102 Ca 0.13 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 3gby s ALA 102 Cb -0.12 -0.08 0.17 0.00 0.00 0.00 0.00 23.12 23.09 3gby s ALA 102 CO 0.02 -0.18 0.99 -0.40 0.00 0.00 0.00 175.76 176.19 3gby n ASP 103 N 1.98 0.02 -0.25 0.00 5.68 0.02 -3.76 116.55 120.24 3gby n ASP 103 Ca -0.19 -1.35 0.21 0.00 -0.50 0.00 0.00 54.79 52.97 3gby n ASP 103 Cb 0.57 -0.76 0.55 0.00 -1.14 0.00 0.00 41.12 40.33 3gby n ASP 103 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3gby h GLU 104 N 0.00 0.33 -0.24 0.11 4.11 -1.98 0.60 114.58 117.51 3gby h GLU 104 Ca -0.32 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.09 3gby h GLU 104 Cb 0.89 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3gby h GLU 104 CO 0.23 0.22 0.00 -0.25 0.07 0.00 0.00 179.01 179.27 3gby n ASP 105 N -4.49 2.22 0.00 3.06 8.00 -1.26 -4.93 116.55 119.15 3gby n ASP 105 Ca 0.20 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.89 3gby n ASP 105 Cb 0.78 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3gby n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gby n GLY 106 N 1.24 0.58 3.70 0.44 0.00 0.20 -5.01 105.19 106.34 3gby n GLY 106 Ca 0.17 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3gby n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gby s ARG 107 N -0.32 4.32 0.21 1.61 3.00 -1.26 -1.17 118.95 125.33 3gby s ARG 107 Ca 0.00 1.91 -0.31 0.00 0.00 0.00 0.00 55.73 57.33 3gby s ARG 107 Cb 0.00 -3.50 -0.11 0.00 0.00 0.00 0.00 34.95 31.35 3gby s ARG 107 CO 0.00 -0.50 1.57 -0.47 0.00 0.00 0.00 175.30 175.90 3gby s TYR 108 N 2.02 2.98 -0.06 -0.53 5.04 0.15 -0.80 117.35 126.15 3gby s TYR 108 Ca 0.62 0.69 0.09 0.00 -2.44 0.00 0.00 57.07 56.02 3gby s TYR 108 Cb -0.31 -3.96 0.13 0.00 0.35 0.00 0.00 41.96 38.17 3gby s TYR 108 CO 0.27 -3.43 1.01 0.39 -1.34 0.00 0.00 175.55 172.45 3gby n GLU 109 N 3.37 1.27 0.00 4.97 -0.58 -0.15 -4.92 120.64 124.59 3gby n GLU 109 Ca 0.12 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 55.08 3gby n GLU 109 Cb 0.38 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 3gby n GLU 109 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gby n GLY 110 N -0.77 -0.61 3.24 0.62 0.00 -1.25 -4.81 105.19 101.61 3gby n GLY 110 Ca 0.07 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 3gby n GLY 110 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gby s VAL 111 N 0.00 0.89 -0.11 1.61 -7.23 0.25 -0.45 120.40 115.36 3gby s VAL 111 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3gby s VAL 111 Cb 0.00 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 35.00 3gby s VAL 111 CO 0.00 -0.65 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.28 3gby s VAL 112 N -3.51 1.64 0.20 1.32 1.01 -0.38 -0.20 120.40 120.49 3gby s VAL 112 Ca 0.19 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3gby s VAL 112 Cb 0.05 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3gby s VAL 112 CO 0.01 0.47 0.41 -0.94 0.00 0.00 0.00 175.10 175.05 3gby s SER 113 N 0.85 6.42 0.41 3.32 1.04 -1.26 -1.08 113.70 123.40 3gby s SER 113 Ca -0.09 0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.91 3gby s SER 113 Cb -0.15 -2.05 0.87 0.00 0.10 0.00 0.00 66.02 64.79 3gby s SER 113 CO 0.00 -0.05 2.06 0.03 0.98 0.00 0.00 173.24 176.26 3gby h ARG 114 N 2.13 0.52 -0.03 4.02 3.08 -1.06 -1.62 114.38 121.42 3gby h ARG 114 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3gby h ARG 114 Cb 1.18 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 3gby h ARG 114 CO 0.69 0.35 0.00 -0.22 -1.07 0.00 0.00 179.97 179.71 3gby h LYS 115 N 0.53 0.01 -0.53 0.04 3.64 -1.94 0.28 116.57 118.61 3gby h LYS 115 Ca 0.14 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 3gby h LYS 115 Cb -0.06 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3gby h LYS 115 CO -0.03 0.01 -0.07 0.00 -2.27 0.00 0.00 179.45 177.09 3gby h ARG 116 N 0.01 0.96 -0.46 1.90 3.08 -1.88 -1.31 114.38 116.68 3gby h ARG 116 Ca 0.01 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3gby h ARG 116 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3gby h ARG 116 CO -0.02 0.99 0.26 0.82 -1.07 0.00 0.00 179.97 180.95 3gby h ILE 117 N 0.87 1.15 -0.45 2.04 2.04 -1.09 -0.86 117.51 121.22 3gby h ILE 117 Ca 0.15 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 3gby h ILE 117 Cb 0.60 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3gby h ILE 117 CO 0.04 0.16 -0.08 0.25 0.00 0.00 0.00 178.15 178.52 3gby h LEU 118 N 0.61 0.77 -0.74 1.44 5.85 -0.78 -0.74 115.31 121.72 3gby h LEU 118 Ca 0.16 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3gby h LEU 118 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3gby h LEU 118 CO -0.03 0.89 0.33 1.23 -0.34 0.00 0.00 178.44 180.52 3gby h GLY 119 N 0.97 1.16 0.91 3.75 0.00 -1.01 0.52 103.07 109.37 3gby h GLY 119 Ca 0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3gby h GLY 119 CO 0.03 0.57 -0.05 -2.75 0.00 0.00 0.00 176.54 174.34 3gby h PHE 120 N 1.05 -0.13 -0.87 5.60 3.57 -0.85 -3.11 116.94 122.20 3gby h PHE 120 Ca 0.25 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3gby h PHE 120 Cb 0.16 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3gby h PHE 120 CO 0.01 -0.00 0.57 -0.07 -2.23 0.00 0.00 178.31 176.60 3gby h LEU 121 N -0.24 0.99 -2.02 0.59 3.38 -0.94 -2.81 115.31 114.26 3gby h LEU 121 Ca -0.01 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3gby h LEU 121 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3gby h LEU 121 CO 0.02 0.71 0.29 0.00 0.09 0.00 0.00 178.44 179.56 3gby h ALA 122 N 1.32 2.32 0.00 1.53 0.00 -0.83 0.24 119.26 123.84 3gby h ALA 122 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3gby h ALA 122 Cb -0.12 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gby h ALA 122 CO -0.07 -0.49 -0.06 1.49 0.00 0.00 0.00 179.25 180.12 3gby h GLU 123 N 0.00 0.00 0.00 0.00 4.57 -1.45 -3.34 114.58 114.36 3gby h GLU 123 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3gby h GLU 123 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3gby h GLU 123 CO -0.00 0.06 0.00 0.54 -1.18 0.00 0.00 179.01 178.43 3gby n ARG 124 N -3.16 3.76 0.00 1.92 1.74 -0.02 -5.15 116.66 115.74 3gby n ARG 124 Ca 0.01 -0.15 0.15 0.00 -0.77 0.00 0.00 57.85 57.09 3gby n ARG 124 Cb 0.37 -0.60 0.66 0.00 -1.02 0.00 0.00 32.46 31.87 3gby n ARG 124 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22