#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bed s LYS 4 N 0.00 3.64 -0.03 -0.52 -0.14 -0.05 -4.84 119.74 117.80 3bed s LYS 4 Ca 0.00 1.96 0.02 0.00 -1.36 0.00 0.00 55.97 56.59 3bed s LYS 4 Cb 0.00 -2.44 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 3bed s LYS 4 CO 0.00 -0.70 -0.07 -0.51 -0.76 0.00 0.00 175.35 173.32 3bed s LEU 5 N -3.03 3.18 -0.04 3.17 1.43 -1.26 -0.09 118.68 122.04 3bed s LEU 5 Ca 0.64 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 3bed s LEU 5 Cb -0.33 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.14 3bed s LEU 5 CO 0.41 0.32 -0.03 -0.63 0.23 0.00 0.00 176.35 176.65 3bed s ILE 6 N -0.92 0.43 0.48 -0.59 1.01 -0.33 -1.04 121.20 120.25 3bed s ILE 6 Ca 0.15 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.82 3bed s ILE 6 Cb -0.11 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.88 3bed s ILE 6 CO 0.05 0.21 0.39 -0.76 0.00 0.00 0.00 174.94 174.82 3bed s LEU 7 N 1.05 3.03 0.00 2.97 1.43 -0.09 -0.51 118.68 126.56 3bed s LEU 7 Ca -0.09 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 3bed s LEU 7 Cb -0.14 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3bed s LEU 7 CO -0.01 -0.88 0.00 -1.54 0.23 0.00 0.00 176.35 174.15 3bed n SER 9 N -1.64 0.00 -4.73 2.29 3.41 -0.29 -1.38 113.62 111.28 3bed n SER 9 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 3bed n SER 9 Cb 0.63 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 3bed n SER 9 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bed n HIS 10 N -0.94 2.73 -4.92 7.33 8.25 -1.26 -4.36 115.22 122.05 3bed n HIS 10 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3bed n HIS 10 Cb 0.00 -2.58 0.00 0.00 1.12 0.00 0.00 29.99 28.53 3bed n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bed n GLY 11 N 2.22 1.28 3.21 -1.41 0.00 -1.26 -4.69 105.19 104.54 3bed n GLY 11 Ca 0.09 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3bed n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bed s ARG 12 N 0.00 3.17 0.00 1.61 0.52 -1.26 -4.42 118.95 118.57 3bed s ARG 12 Ca 0.00 -2.63 0.00 0.00 -0.52 0.00 0.00 55.73 52.58 3bed s ARG 12 Cb 0.00 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.38 3bed s ARG 12 CO 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 175.30 174.08 3bed n ALA 14 N 3.51 0.00 -0.16 2.13 0.00 -1.26 -1.67 120.51 123.05 3bed n ALA 14 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 3bed n ALA 14 Cb 0.42 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.92 3bed n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3bed h GLU 15 N 0.00 0.43 0.00 0.00 4.81 -1.88 -0.89 114.58 117.05 3bed h GLU 15 Ca 0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3bed h GLU 15 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3bed h GLU 15 CO 0.00 0.29 -0.47 0.93 -0.73 0.00 0.00 179.01 179.02 3bed h GLU 16 N 0.45 0.00 -0.39 1.92 4.39 -1.74 -2.27 114.58 116.93 3bed h GLU 16 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 3bed h GLU 16 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3bed h GLU 16 CO -0.18 0.47 0.22 1.15 -1.16 0.00 0.00 179.01 179.51 3bed h THR 17 N 0.00 1.14 -0.40 1.13 2.02 -1.63 -0.71 112.91 114.46 3bed h THR 17 Ca -0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3bed h THR 17 Cb 1.11 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3bed h THR 17 CO 0.06 0.14 0.27 0.25 0.37 0.00 0.00 175.52 176.61 3bed h LEU 18 N 0.50 0.46 -0.51 2.58 5.85 -0.98 -0.54 115.31 122.67 3bed h LEU 18 Ca 0.14 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3bed h LEU 18 Cb 0.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3bed h LEU 18 CO -0.02 0.34 0.28 0.00 -0.34 0.00 0.00 178.44 178.69 3bed h ALA 19 N 1.15 0.66 -0.64 1.25 0.00 -1.20 0.08 119.26 120.56 3bed h ALA 19 Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3bed h ALA 19 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3bed h ALA 19 CO -0.03 -0.05 0.29 0.77 0.00 0.00 0.00 179.25 180.23 3bed h SER 20 N 0.55 0.85 -0.83 0.00 0.02 -0.99 -2.66 113.55 110.49 3bed h SER 20 Ca 0.22 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3bed h SER 20 Cb 0.09 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3bed h SER 20 CO -0.13 0.76 0.44 0.71 -1.14 0.00 0.00 176.83 177.47 3bed h THR 21 N 0.89 1.25 0.00 -2.27 1.35 -0.44 -2.80 112.91 110.88 3bed h THR 21 Ca 0.22 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3bed h THR 21 Cb 0.15 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.72 3bed h THR 21 CO -0.02 0.28 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 3bed n GLN 22 N -4.38 0.23 0.00 4.72 6.02 -0.05 -0.93 117.38 122.99 3bed n GLN 22 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3bed n GLN 22 Cb 0.10 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.98 3bed n GLN 22 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3bed n ILE 24 N 1.76 0.00 0.36 5.09 5.41 -1.06 -0.22 119.36 130.70 3bed n ILE 24 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3bed n ILE 24 Cb 0.11 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.92 3bed n ILE 24 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3bed n VAL 25 N 0.00 0.00 0.00 1.39 0.24 -0.10 -5.11 118.33 114.75 3bed n VAL 25 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3bed n VAL 25 Cb 0.00 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3bed n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bed n GLY 26 N 1.45 0.91 0.12 7.63 0.00 0.69 -4.72 105.19 111.28 3bed n GLY 26 Ca -0.00 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 43.98 3bed n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3bed n GLU 27 N 0.10 0.15 0.05 1.61 0.28 -1.26 -1.71 120.64 119.87 3bed n GLU 27 Ca 0.00 0.48 0.12 0.00 -0.16 0.00 0.00 57.16 57.60 3bed n GLU 27 Cb 0.00 -1.85 0.47 0.00 1.43 0.00 0.00 31.44 31.49 3bed n GLU 27 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3bed n LEU 28 N -2.15 0.36 -4.65 -1.84 4.77 -1.26 -4.67 117.00 107.56 3bed n LEU 28 Ca 0.01 0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 56.12 3bed n LEU 28 Cb 0.15 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3bed n LEU 28 CO 0.15 -0.20 1.33 0.00 -1.33 0.00 0.00 177.39 177.34 3bed s ALA 29 N -3.09 3.48 -0.01 -1.18 0.00 -0.69 -4.97 121.76 115.31 3bed s ALA 29 Ca 0.10 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3bed s ALA 29 Cb 0.13 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3bed s ALA 29 CO 0.47 -1.59 -0.01 0.34 0.00 0.00 0.00 175.76 174.98 3bed s ASP 30 N 3.53 0.14 -0.10 0.00 2.15 -1.26 -4.85 116.67 116.28 3bed s ASP 30 Ca 0.70 -0.01 -0.27 0.00 0.43 0.00 0.00 52.55 53.39 3bed s ASP 30 Cb -0.28 -0.04 0.06 0.00 -0.30 0.00 0.00 42.92 42.37 3bed s ASP 30 CO 0.27 -0.01 0.64 0.00 -0.17 0.00 0.00 175.17 175.90 3bed s ALA 31 N 0.18 -1.65 0.66 3.66 0.00 -1.26 -4.54 121.76 118.81 3bed s ALA 31 Ca -0.01 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 3bed s ALA 31 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3bed s ALA 31 CO -0.01 -0.35 1.05 0.00 0.00 0.00 0.00 175.76 176.46 3bed s ALA 32 N -0.79 2.83 -0.02 0.00 0.00 -0.20 -4.90 121.76 118.68 3bed s ALA 32 Ca -0.08 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.95 3bed s ALA 32 Cb -0.02 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 3bed s ALA 32 CO 0.07 -1.01 -0.11 0.42 0.00 0.00 0.00 175.76 175.13 3bed s ILE 33 N -3.06 0.93 -0.20 0.00 -1.09 -1.26 -0.91 121.20 115.61 3bed s ILE 33 Ca 0.57 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3bed s ILE 33 Cb -0.13 -0.80 0.01 0.00 -1.58 0.00 0.00 42.46 39.96 3bed s ILE 33 CO 0.54 0.27 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.71 3bed s VAL 34 N -0.08 2.72 0.00 2.92 1.01 -0.48 -4.96 120.40 121.52 3bed s VAL 34 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3bed s VAL 34 Cb -0.07 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3bed s VAL 34 CO 0.00 0.47 0.00 -1.20 0.00 0.00 0.00 175.10 174.37 3bed n SER 35 N 4.71 0.96 -3.51 3.32 7.64 -1.26 -1.14 113.62 124.34 3bed n SER 35 Ca -0.19 -0.65 -0.09 0.00 1.01 0.00 0.00 58.87 58.95 3bed n SER 35 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 3bed n SER 35 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bed s THR 37 N 0.56 0.00 0.37 0.44 -4.23 -1.26 -4.79 115.64 106.73 3bed s THR 37 Ca 0.00 -1.19 0.39 0.00 -1.18 0.00 0.00 61.69 59.70 3bed s THR 37 Cb 0.00 -2.42 0.41 0.00 1.34 0.00 0.00 72.50 71.83 3bed s THR 37 CO 0.00 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.25 3bed h ALA 38 N 2.08 1.00 -0.01 3.99 0.00 -2.01 -2.12 119.26 122.19 3bed h ALA 38 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3bed h ALA 38 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3bed h ALA 38 CO 0.34 0.00 -0.49 0.39 0.00 0.00 0.00 179.25 179.48 3bed n GLU 39 N -3.00 0.50 0.04 0.00 4.71 -1.26 -4.56 120.64 117.07 3bed n GLU 39 Ca -0.01 -0.34 -0.09 0.00 -0.01 0.00 0.00 57.16 56.71 3bed n GLU 39 Cb 0.16 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.03 3bed n GLU 39 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3bed h ASP 40 N 0.83 -0.18 -0.78 1.62 3.32 -1.79 -3.48 116.42 115.96 3bed h ASP 40 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3bed h ASP 40 Cb 0.55 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3bed h ASP 40 CO 0.00 0.40 0.00 0.61 -1.72 0.00 0.00 179.24 178.53 3bed n GLY 41 N 0.88 -0.64 0.08 2.75 0.00 -1.26 -3.00 105.19 104.00 3bed n GLY 41 Ca -0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 3bed n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bed h LEU 42 N 0.00 -0.07 -0.68 0.99 5.85 -1.98 -1.78 115.31 117.63 3bed h LEU 42 Ca 0.00 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3bed h LEU 42 Cb 0.00 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3bed h LEU 42 CO 0.00 0.18 0.15 0.77 -0.34 0.00 0.00 178.44 179.20 3bed h SER 43 N -0.32 1.05 0.06 1.25 4.64 -2.00 0.08 113.55 118.32 3bed h SER 43 Ca -0.01 -0.24 -0.15 0.00 -0.47 0.00 0.00 61.79 60.93 3bed h SER 43 Cb 0.28 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3bed h SER 43 CO 0.01 1.02 -0.50 1.23 -0.87 0.00 0.00 176.83 177.72 3bed h GLY 44 N 1.03 0.54 0.77 -0.77 0.00 -1.46 -0.75 103.07 102.44 3bed h GLY 44 Ca 0.21 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3bed h GLY 44 CO 0.00 0.54 -0.11 -0.84 0.00 0.00 0.00 176.54 176.14 3bed h THR 45 N 0.39 1.32 -0.88 4.70 2.02 -1.09 -1.86 112.91 117.51 3bed h THR 45 Ca 0.02 -1.20 0.09 0.00 0.77 0.00 0.00 66.41 66.09 3bed h THR 45 Cb 1.02 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 69.11 3bed h THR 45 CO 0.09 0.35 0.53 1.56 0.37 0.00 0.00 175.52 178.43 3bed h GLN 46 N 0.03 0.89 -0.36 6.66 4.20 -0.84 -1.76 115.11 123.92 3bed h GLN 46 Ca 0.03 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 3bed h GLN 46 Cb 0.60 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3bed h GLN 46 CO 0.03 0.59 -0.33 0.00 -0.67 0.00 0.00 178.83 178.45 3bed h ALA 47 N 1.45 0.74 -0.29 3.87 0.00 -1.03 0.21 119.26 124.21 3bed h ALA 47 Ca 0.41 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3bed h ALA 47 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3bed h ALA 47 CO -0.22 0.66 0.05 0.87 0.00 0.00 0.00 179.25 180.61 3bed h LYS 48 N 0.67 0.48 -0.53 0.00 1.57 -0.85 -1.14 116.57 116.77 3bed h LYS 48 Ca 0.07 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3bed h LYS 48 Cb 0.88 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3bed h LYS 48 CO 0.08 0.59 -0.05 1.25 -0.57 0.00 0.00 179.45 180.74 3bed h LEU 49 N 0.31 0.93 -1.05 2.94 5.85 -1.25 -3.06 115.31 119.97 3bed h LEU 49 Ca 0.09 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3bed h LEU 49 Cb 0.33 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3bed h LEU 49 CO 0.01 1.01 0.39 0.00 -0.34 0.00 0.00 178.44 179.51 3bed h ALA 50 N 1.08 1.27 -0.93 1.25 0.00 -0.61 -0.32 119.26 120.99 3bed h ALA 50 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bed h ALA 50 Cb 0.58 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3bed h ALA 50 CO 0.03 0.58 0.57 0.00 0.00 0.00 0.00 179.25 180.44 3bed h ALA 51 N 1.37 1.18 -0.10 0.00 0.00 -1.12 0.19 119.26 120.79 3bed h ALA 51 Ca 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3bed h ALA 51 Cb 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3bed h ALA 51 CO -0.04 0.63 -0.15 0.82 0.00 0.00 0.00 179.25 180.51 3bed h ILE 52 N 1.28 1.38 -0.22 0.00 2.04 -1.37 -2.72 117.51 117.90 3bed h ILE 52 Ca 0.34 -1.38 -0.13 0.00 1.00 0.00 0.00 64.86 64.69 3bed h ILE 52 Cb -0.08 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3bed h ILE 52 CO -0.07 0.39 -0.40 -0.07 0.00 0.00 0.00 178.15 178.00 3bed h LEU 53 N -0.15 0.53 -0.64 1.44 3.38 -0.79 -2.58 115.31 116.51 3bed h LEU 53 Ca 0.01 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 3bed h LEU 53 Cb 0.70 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3bed h LEU 53 CO 0.03 0.88 -0.26 0.50 0.09 0.00 0.00 178.44 179.68 3bed h LYS 54 N 0.41 0.79 -0.80 1.13 3.64 -0.70 -1.42 116.57 119.62 3bed h LYS 54 Ca 0.04 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.10 3bed h LYS 54 Cb 0.89 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 3bed h LYS 54 CO 0.08 0.96 0.52 1.49 -2.27 0.00 0.00 179.45 180.22 3bed h GLU 55 N 0.68 0.99 0.00 1.90 4.22 -1.23 -3.14 114.58 118.00 3bed h GLU 55 Ca 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 3bed h GLU 55 Cb 0.78 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3bed h GLU 55 CO 0.06 0.66 -0.78 0.00 -2.18 0.00 0.00 179.01 176.77 3bed h ALA 56 N 1.32 0.63 -0.89 2.92 0.00 -1.24 -3.50 119.26 118.50 3bed h ALA 56 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3bed h ALA 56 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3bed h ALA 56 CO -0.10 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3bed n GLY 57 N 1.17 0.78 2.62 0.00 0.00 -0.56 -4.21 105.19 105.00 3bed n GLY 57 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 3bed n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bed n ASN 58 N -2.62 5.65 -4.50 1.61 5.15 -1.26 -4.90 115.26 114.40 3bed n ASN 58 Ca 0.00 -2.84 -0.32 0.00 -0.60 0.00 0.00 54.58 50.82 3bed n ASN 58 Cb 0.00 -1.58 -0.12 0.00 -0.53 0.00 0.00 39.78 37.54 3bed n ASN 58 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3bed s VAL 59 N 2.13 3.15 0.08 3.44 -7.23 -1.26 -4.99 120.40 115.72 3bed s VAL 59 Ca 0.52 -0.80 -0.35 0.00 -1.81 0.00 0.00 61.98 59.54 3bed s VAL 59 Cb 0.15 -2.28 -0.14 0.00 0.56 0.00 0.00 36.38 34.66 3bed s VAL 59 CO -0.07 0.51 1.56 -2.65 -0.31 0.00 0.00 175.10 174.15 3bed n PRO 60 N 2.04 1.82 -3.83 4.82 -0.02 -1.26 -4.65 135.00 133.91 3bed n PRO 60 Ca -0.17 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3bed n PRO 60 Cb 0.52 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 3bed n PRO 60 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3bed s THR 61 N 1.37 -0.00 -0.11 3.45 2.01 -0.40 -0.87 115.64 121.09 3bed s THR 61 Ca 0.83 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.87 3bed s THR 61 Cb -0.78 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 71.55 3bed s THR 61 CO 0.44 0.00 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.94 3bed s LEU 62 N 0.08 2.00 -0.17 4.42 1.98 0.88 -1.05 118.68 126.82 3bed s LEU 62 Ca -0.00 -0.52 -0.13 0.00 -2.89 0.00 0.00 54.13 50.58 3bed s LEU 62 Cb -0.01 -1.31 -0.05 0.00 0.66 0.00 0.00 46.19 45.48 3bed s LEU 62 CO 0.00 0.11 0.27 -0.69 -1.89 0.00 0.00 176.35 174.15 3bed s VAL 63 N 0.56 5.32 -0.34 1.68 1.01 0.05 -1.18 120.40 127.50 3bed s VAL 63 Ca -0.14 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 3bed s VAL 63 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3bed s VAL 63 CO 0.05 0.39 0.16 -0.76 0.00 0.00 0.00 175.10 174.94 3bed s LEU 64 N 0.47 4.38 0.07 3.92 1.43 0.34 -1.02 118.68 128.26 3bed s LEU 64 Ca 0.15 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 3bed s LEU 64 Cb -0.13 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3bed s LEU 64 CO 0.03 -0.30 0.08 0.00 0.23 0.00 0.00 176.35 176.39 3bed s ALA 65 N 1.55 3.57 0.13 4.21 0.00 0.77 -4.34 121.76 127.65 3bed s ALA 65 Ca 0.02 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 3bed s ALA 65 Cb -0.18 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 3bed s ALA 65 CO 0.06 0.75 1.73 0.38 0.00 0.00 0.00 175.76 178.67 3bed h ASP 66 N 3.36 0.47 0.00 0.00 2.03 -1.91 -1.12 116.42 119.25 3bed h ASP 66 Ca -0.47 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 3bed h ASP 66 Cb 1.16 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 3bed h ASP 66 CO 0.66 0.44 0.00 -0.11 -1.03 0.00 0.00 179.24 179.20 3bed n LEU 67 N -4.74 0.00 0.00 0.15 7.94 -1.26 -2.74 117.00 116.35 3bed n LEU 67 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3bed n LEU 67 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 3bed n LEU 67 CO 0.36 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 3bed n GLY 69 N 0.00 0.00 3.83 -3.96 0.00 -1.26 -4.39 105.19 99.41 3bed n GLY 69 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3bed n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bed s GLY 70 N 0.00 1.76 0.22 -0.02 0.00 -1.26 -4.82 107.32 103.19 3bed s GLY 70 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.74 3bed s GLY 70 CO 0.00 0.39 1.75 -0.84 0.00 0.00 0.00 173.10 174.40 3bed h THR 71 N -0.35 0.75 -0.22 0.90 2.02 -1.99 0.17 112.91 114.19 3bed h THR 71 Ca -0.44 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 66.62 3bed h THR 71 Cb 1.20 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 3bed h THR 71 CO 0.58 0.08 -0.04 -0.65 0.37 0.00 0.00 175.52 175.86 3bed h PRO 72 N 0.45 0.01 -0.64 6.66 0.11 -1.92 0.10 132.00 136.78 3bed h PRO 72 Ca 0.35 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 3bed h PRO 72 Cb 0.45 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 3bed h PRO 72 CO -0.33 0.01 0.36 0.00 -0.21 0.00 0.00 178.00 177.83 3bed h ASN 74 N 0.87 1.05 -0.61 0.00 2.35 -0.21 -2.33 115.58 116.71 3bed h ASN 74 Ca 0.23 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.88 3bed h ASN 74 Cb 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3bed h ASN 74 CO -0.04 0.75 0.08 0.58 -1.65 0.00 0.00 177.43 177.16 3bed h VAL 75 N 1.24 1.26 -0.09 2.81 2.07 -0.71 -3.42 116.25 119.41 3bed h VAL 75 Ca 0.34 -1.03 -0.31 0.00 0.82 0.00 0.00 66.70 66.53 3bed h VAL 75 Cb -0.12 0.74 0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3bed h VAL 75 CO -0.08 0.38 0.82 0.00 0.02 0.00 0.00 177.57 178.71 3bed n ALA 76 N -2.45 0.89 -1.37 1.67 0.00 -0.81 -5.02 120.51 113.43 3bed n ALA 76 Ca 0.03 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.88 3bed n ALA 76 Cb 0.29 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.21 3bed n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bed n ALA 79 N 14.39 -0.15 0.00 0.00 0.00 -1.26 -4.99 120.51 128.50 3bed n ALA 79 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3bed n ALA 79 Cb 0.45 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3bed n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bed n GLY 81 N -0.91 0.00 0.10 0.00 0.00 -1.26 -1.41 105.19 101.71 3bed n GLY 81 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3bed n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bed n THR 82 N 0.00 1.26 -3.71 2.61 -1.04 -1.26 -4.91 114.28 107.22 3bed n THR 82 Ca 0.00 -0.60 -0.37 0.00 -2.04 0.00 0.00 64.05 61.03 3bed n THR 82 Cb 0.00 -0.98 -0.11 0.00 -1.82 0.00 0.00 70.33 67.43 3bed n THR 82 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3bed s TYR 83 N -2.44 3.54 -0.48 -1.42 2.02 -0.50 -4.98 117.35 113.08 3bed s TYR 83 Ca -0.21 -2.31 0.23 0.00 -0.37 0.00 0.00 57.07 54.42 3bed s TYR 83 Cb 0.07 -3.30 0.98 0.00 -0.40 0.00 0.00 41.96 39.31 3bed s TYR 83 CO 0.61 -0.97 1.71 -0.35 -1.57 0.00 0.00 175.55 174.97 3bed n PRO 84 N 4.58 0.19 -0.49 -1.71 -0.04 -1.26 -2.19 135.00 134.07 3bed n PRO 84 Ca -0.03 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 3bed n PRO 84 Cb 0.41 -1.87 0.28 0.00 -0.04 0.00 0.00 33.50 32.27 3bed n PRO 84 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3bed n GLN 85 N -2.23 3.14 -3.58 0.54 6.02 -1.26 -4.94 117.38 115.06 3bed n GLN 85 Ca 0.02 -2.87 -0.37 0.00 -0.01 0.00 0.00 57.00 53.77 3bed n GLN 85 Cb 0.23 -1.89 -0.07 0.00 1.02 0.00 0.00 30.24 29.53 3bed n GLN 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3bed s LEU 86 N -2.80 4.33 0.29 1.08 2.96 -0.93 -1.28 118.68 122.33 3bed s LEU 86 Ca 0.43 0.62 0.06 0.00 -0.22 0.00 0.00 54.13 55.02 3bed s LEU 86 Cb 0.35 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 3bed s LEU 86 CO 0.10 0.21 -0.04 -0.13 -1.32 0.00 0.00 176.35 175.16 3bed s ARG 87 N -0.16 1.59 -0.03 1.98 1.81 -0.21 -4.97 118.95 118.96 3bed s ARG 87 Ca 0.18 -1.82 0.00 0.00 -1.72 0.00 0.00 55.73 52.37 3bed s ARG 87 Cb -0.14 -1.17 0.03 0.00 -0.45 0.00 0.00 34.95 33.22 3bed s ARG 87 CO 0.06 0.01 0.00 0.08 -0.68 0.00 0.00 175.30 174.78 3bed s VAL 88 N -3.01 0.14 -0.08 3.52 1.01 -1.26 -0.77 120.40 119.95 3bed s VAL 88 Ca 0.31 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.44 3bed s VAL 88 Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 3bed s VAL 88 CO 0.13 0.13 -0.23 -0.69 0.00 0.00 0.00 175.10 174.44 3bed s VAL 89 N 1.00 1.92 0.34 2.92 1.01 -0.19 -4.97 120.40 122.43 3bed s VAL 89 Ca -0.10 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 60.99 3bed s VAL 89 Cb -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3bed s VAL 89 CO -0.02 0.53 0.44 0.00 0.00 0.00 0.00 175.10 176.05 3bed s ALA 90 N 0.15 4.18 0.00 5.51 0.00 -1.26 -0.17 121.76 130.17 3bed s ALA 90 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.35 3bed s ALA 90 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3bed s ALA 90 CO 0.06 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3bed n GLY 91 N -1.60 1.11 3.65 0.00 0.00 -0.47 -4.87 105.19 103.01 3bed n GLY 91 Ca -0.00 -0.28 -0.61 0.00 0.00 0.00 0.00 46.02 45.13 3bed n GLY 91 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bed n LEU 92 N 0.00 1.22 -4.34 0.99 7.94 -0.91 -4.98 117.00 116.92 3bed n LEU 92 Ca 0.00 1.14 -0.18 0.00 -1.11 0.00 0.00 56.01 55.87 3bed n LEU 92 Cb 0.05 -1.00 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 3bed n LEU 92 CO 0.00 -1.07 -0.24 0.54 -1.11 0.00 0.00 177.39 175.51 3bed s ASN 93 N 1.91 1.43 0.28 1.96 2.20 -1.26 -4.92 114.94 116.54 3bed s ASN 93 Ca 0.96 -1.43 -0.01 0.00 -0.94 0.00 0.00 52.86 51.44 3bed s ASN 93 Cb -1.25 0.21 0.39 0.00 -2.00 0.00 0.00 41.25 38.60 3bed s ASN 93 CO 0.66 -0.76 1.82 0.25 -2.94 0.00 0.00 177.10 176.13 3bed h LEU 94 N 2.30 0.78 -1.95 3.54 5.85 -1.96 -2.59 115.31 121.27 3bed h LEU 94 Ca -0.37 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3bed h LEU 94 Cb 1.25 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3bed h LEU 94 CO 0.59 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 179.46 3bed n ALA 95 N -2.46 1.49 0.00 1.25 0.00 -1.26 -1.06 120.51 118.47 3bed n ALA 95 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3bed n ALA 95 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3bed n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bed n ALA 97 N 0.97 0.00 0.02 0.00 0.00 -0.98 -1.35 120.51 119.17 3bed n ALA 97 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3bed n ALA 97 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 3bed n ALA 97 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bed h ILE 98 N 0.00 0.93 -0.45 0.00 2.04 -1.38 -1.29 117.51 117.36 3bed h ILE 98 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3bed h ILE 98 Cb 0.00 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3bed h ILE 98 CO 0.00 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.88 3bed h GLU 99 N -0.01 0.69 -0.79 2.37 4.39 -1.46 -2.28 114.58 117.49 3bed h GLU 99 Ca 0.03 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3bed h GLU 99 Cb 0.05 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 3bed h GLU 99 CO -0.06 0.66 0.35 0.00 -1.16 0.00 0.00 179.01 178.80 3bed h ALA 100 N 1.41 1.13 -0.17 3.43 0.00 -1.76 -1.15 119.26 122.14 3bed h ALA 100 Ca 0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3bed h ALA 100 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3bed h ALA 100 CO 0.00 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.63 3bed h ALA 101 N 1.25 1.25 -0.01 0.00 0.00 -0.67 -3.12 119.26 117.96 3bed h ALA 101 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bed h ALA 101 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3bed h ALA 101 CO -0.03 0.50 -0.36 1.33 0.00 0.00 0.00 179.25 180.69 3bed n VAL 102 N -4.14 0.00 -1.93 0.00 0.24 -1.04 -4.72 118.33 106.73 3bed n VAL 102 Ca -0.01 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.55 3bed n VAL 102 Cb 0.38 1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 3bed n VAL 102 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3bed s SER 103 N -1.83 6.58 0.00 -1.34 1.04 -0.45 -4.90 113.70 112.80 3bed s SER 103 Ca 0.11 2.65 0.23 0.00 0.48 0.00 0.00 55.95 59.42 3bed s SER 103 Cb 0.11 -2.60 0.81 0.00 0.10 0.00 0.00 66.02 64.44 3bed s SER 103 CO 0.39 -0.81 1.59 -0.81 0.98 0.00 0.00 173.24 174.59 3bed n PRO 104 N 3.53 1.76 -1.70 4.02 -0.04 -1.26 -4.93 135.00 136.37 3bed n PRO 104 Ca 0.12 -1.13 -0.43 0.00 -0.04 0.00 0.00 63.50 62.03 3bed n PRO 104 Cb 0.39 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 3bed n PRO 104 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bed n VAL 105 N 0.35 0.21 -0.05 0.52 0.31 -1.26 -4.91 118.33 113.50 3bed n VAL 105 Ca 0.17 -0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 64.30 3bed n VAL 105 Cb 0.36 -2.04 -0.14 0.00 -0.91 0.00 0.00 33.84 31.11 3bed n VAL 105 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3bed n GLU 106 N 4.90 0.70 -2.65 5.55 0.00 -1.26 -4.41 120.64 123.46 3bed n GLU 106 Ca 0.17 0.20 -0.42 0.00 0.00 0.00 0.00 57.16 57.12 3bed n GLU 106 Cb 0.36 -1.65 -0.03 0.00 0.00 0.00 0.00 31.44 30.12 3bed n GLU 106 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3bed s ASN 107 N -6.54 7.35 0.26 -1.84 3.84 -1.26 -4.20 114.94 112.55 3bed s ASN 107 Ca -0.21 1.79 0.06 0.00 0.21 0.00 0.00 52.86 54.70 3bed s ASN 107 Cb 0.07 -2.58 0.35 0.00 -0.55 0.00 0.00 41.25 38.54 3bed s ASN 107 CO 0.74 -0.24 1.63 1.62 -2.79 0.00 0.00 177.10 178.05 3bed h VAL 108 N 4.47 1.35 -0.31 -5.21 3.04 -1.93 0.25 116.25 117.92 3bed h VAL 108 Ca -0.42 -1.77 -0.17 0.00 -1.01 0.00 0.00 66.70 63.33 3bed h VAL 108 Cb 1.22 1.86 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 3bed h VAL 108 CO 0.75 0.52 -0.48 0.44 -1.01 0.00 0.00 177.57 177.80 3bed h ASP 109 N 0.18 0.90 -0.46 3.17 3.32 -1.97 -0.24 116.42 121.33 3bed h ASP 109 Ca 0.01 -0.45 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 3bed h ASP 109 Cb 0.97 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3bed h ASP 109 CO 0.08 1.23 -0.21 1.05 -1.72 0.00 0.00 179.24 179.67 3bed h GLU 110 N 0.66 0.96 -0.29 3.56 4.11 -1.88 -1.77 114.58 119.92 3bed h GLU 110 Ca 0.03 -0.42 -0.04 0.00 0.07 0.00 0.00 59.36 59.01 3bed h GLU 110 Cb 1.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3bed h GLU 110 CO 0.11 1.08 0.03 1.25 0.07 0.00 0.00 179.01 181.55 3bed h LEU 111 N 0.81 0.48 -0.89 3.06 5.85 -0.87 -0.90 115.31 122.86 3bed h LEU 111 Ca 0.11 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3bed h LEU 111 Cb 0.79 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3bed h LEU 111 CO 0.07 0.65 0.57 0.00 -0.34 0.00 0.00 178.44 179.38 3bed h ALA 112 N 0.86 1.20 -0.42 1.25 0.00 -0.98 -0.93 119.26 120.24 3bed h ALA 112 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3bed h ALA 112 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3bed h ALA 112 CO 0.01 0.38 0.01 0.00 0.00 0.00 0.00 179.25 179.65 3bed h ALA 113 N 1.39 0.57 -0.26 0.00 0.00 -1.07 -0.59 119.26 119.29 3bed h ALA 113 Ca 0.37 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3bed h ALA 113 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3bed h ALA 113 CO -0.14 0.34 0.15 -0.92 0.00 0.00 0.00 179.25 178.68 3bed h TYR 114 N 0.58 0.28 0.00 0.00 3.20 -0.85 -2.03 116.97 118.15 3bed h TYR 114 Ca 0.12 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 3bed h TYR 114 Cb 0.46 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3bed h TYR 114 CO 0.04 0.17 -0.53 -0.07 -1.64 0.00 0.00 178.16 176.13 3bed h LEU 115 N 0.31 0.00 -0.22 2.82 3.38 -1.03 0.08 115.31 120.65 3bed h LEU 115 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3bed h LEU 115 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3bed h LEU 115 CO -0.05 0.53 0.13 0.74 0.09 0.00 0.00 178.44 179.88 3bed h THR 116 N 0.00 1.09 -0.53 0.22 2.02 -0.92 0.10 112.91 114.88 3bed h THR 116 Ca -0.01 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3bed h THR 116 Cb 1.03 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3bed h THR 116 CO 0.07 0.08 0.19 -0.61 0.37 0.00 0.00 175.52 175.63 3bed h GLN 117 N 0.26 0.81 -0.21 6.66 -0.00 -0.77 -1.74 115.11 120.12 3bed h GLN 117 Ca 0.08 -0.16 0.03 0.00 -0.00 0.00 0.00 58.65 58.60 3bed h GLN 117 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.35 3bed h GLN 117 CO -0.01 0.73 0.00 0.82 0.00 0.00 0.00 178.83 180.36 3bed h ILE 118 N 0.73 0.86 -0.75 2.39 1.08 -0.88 -0.82 117.51 120.12 3bed h ILE 118 Ca 0.18 -0.02 -0.06 0.00 -0.39 0.00 0.00 64.86 64.56 3bed h ILE 118 Cb 0.23 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3bed h ILE 118 CO -0.01 0.01 0.24 1.23 -0.69 0.00 0.00 178.15 178.93 3bed h GLY 119 N 0.07 1.25 0.90 5.37 0.00 -0.77 0.35 103.07 110.23 3bed h GLY 119 Ca 0.10 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 3bed h GLY 119 CO -0.16 0.69 -0.15 1.46 0.00 0.00 0.00 176.54 178.38 3bed h GLN 120 N 1.12 0.60 0.00 4.80 4.20 -1.14 -3.08 115.11 121.61 3bed h GLN 120 Ca 0.24 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3bed h GLN 120 Cb 0.31 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3bed h GLN 120 CO -0.01 0.84 0.00 0.66 -0.67 0.00 0.00 178.83 179.65 3bed h SER 121 N 0.34 0.00 0.99 1.46 4.64 -0.76 -2.56 113.55 117.65 3bed h SER 121 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3bed h SER 121 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3bed h SER 121 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3bed h ALA 122 N 2.28 1.00 -2.33 5.18 0.00 -0.84 -3.41 119.26 121.13 3bed h ALA 122 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 3bed h ALA 122 Cb 0.54 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.14 3bed h ALA 122 CO 0.00 0.00 -0.16 0.08 0.00 0.00 0.00 179.25 179.17 3bed s VAL 123 N -3.69 5.05 0.04 0.00 1.01 -0.97 -5.02 120.40 116.82 3bed s VAL 123 Ca 0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 3bed s VAL 123 Cb 0.09 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3bed s VAL 123 CO 0.54 -0.48 0.31 0.42 0.00 0.00 0.00 175.10 175.89 3bed s THR 124 N 2.23 0.08 0.07 3.92 -4.23 -1.26 -5.04 115.64 111.41 3bed s THR 124 Ca 0.13 -0.66 -0.30 0.00 -1.18 0.00 0.00 61.69 59.68 3bed s THR 124 Cb -0.17 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 3bed s THR 124 CO 0.14 -0.37 1.09 0.28 -0.54 0.00 0.00 174.62 175.22 3bed s THR 125 N -2.52 4.30 -0.11 3.99 -1.32 -1.26 -5.04 115.64 113.68 3bed s THR 125 Ca -0.05 1.74 -0.09 0.00 -1.21 0.00 0.00 61.69 62.07 3bed s THR 125 Cb -0.01 -4.11 -0.05 0.00 -1.51 0.00 0.00 72.50 66.82 3bed s THR 125 CO -0.03 0.18 0.20 -0.63 -2.21 0.00 0.00 174.62 172.14 3bed s ILE 126 N 0.66 5.39 0.01 5.08 -1.09 -1.26 -5.10 121.20 124.89 3bed s ILE 126 Ca 0.53 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 3bed s ILE 126 Cb -0.26 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3bed s ILE 126 CO 0.30 0.57 -0.02 -1.81 -1.23 0.00 0.00 174.94 172.74 3bed s ASP 127 N -0.72 0.22 0.58 3.58 1.01 -1.26 -5.13 116.67 114.95 3bed s ASP 127 Ca 0.16 -0.31 -0.18 0.00 0.71 0.00 0.00 52.55 52.93 3bed s ASP 127 Cb -0.13 0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.81 3bed s ASP 127 CO 0.05 -0.17 1.13 -0.22 0.21 0.00 0.00 175.17 176.17 3bed s LEU 128 N -0.89 3.64 0.81 1.23 2.96 -1.26 -5.00 118.68 120.18 3bed s LEU 128 Ca -0.09 2.14 -0.13 0.00 -0.22 0.00 0.00 54.13 55.83 3bed s LEU 128 Cb -0.06 -4.57 0.09 0.00 0.50 0.00 0.00 46.19 42.14 3bed s LEU 128 CO -0.00 -1.36 1.18 -2.84 -1.32 0.00 0.00 176.35 172.01 3bed s PRO 129 N -3.51 1.64 -0.22 0.98 0.02 -1.26 -5.01 135.00 127.64 3bed s PRO 129 Ca 0.71 1.66 0.01 0.00 0.02 0.00 0.00 61.00 63.40 3bed s PRO 129 Cb -0.23 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.55 3bed s PRO 129 CO 0.31 -2.19 -0.07 -1.83 -0.33 0.00 0.00 177.00 172.89 3bed s GLU 130 N -4.27 1.79 0.00 5.54 1.03 -1.26 -4.87 118.70 116.65 3bed s GLU 130 Ca 0.71 -0.94 0.00 0.00 0.03 0.00 0.00 54.97 54.77 3bed s GLU 130 Cb -0.26 -2.52 0.00 0.00 -0.80 0.00 0.00 34.13 30.55 3bed s GLU 130 CO 0.51 -0.53 0.05 1.28 -1.33 0.00 0.00 175.26 175.25 3bed n LEU 131 N 4.67 0.11 0.00 1.83 4.77 -1.26 -5.34 117.00 121.78 3bed n LEU 131 Ca -0.13 -0.17 0.04 0.00 -0.03 0.00 0.00 56.01 55.71 3bed n LEU 131 Cb 0.45 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.77 3bed n LEU 131 CO 0.19 0.03 0.45 0.35 -1.33 0.00 0.00 177.39 177.08