#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jah h ALA 4 N 0.00 1.24 -0.15 7.33 0.00 -1.89 -2.55 119.26 123.23 2jah h ALA 4 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jah h ALA 4 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jah h ALA 4 CO 0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2jah n LEU 5 N -3.44 3.14 -4.66 0.00 4.77 -0.20 -5.03 117.00 111.58 2jah n LEU 5 Ca -0.03 -2.91 -0.47 0.00 -0.03 0.00 0.00 56.01 52.57 2jah n LEU 5 Cb 0.10 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 2jah n LEU 5 CO 0.24 0.68 1.14 1.67 -1.33 0.00 0.00 177.39 179.80 2jah n GLN 6 N -0.78 2.01 -0.09 3.23 -0.06 -0.96 -1.25 117.38 119.48 2jah n GLN 6 Ca 0.17 0.73 0.00 0.00 -2.00 0.00 0.00 57.00 55.90 2jah n GLN 6 Cb 0.73 -2.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 2jah n GLN 6 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jah n GLY 7 N 3.21 1.87 3.88 1.69 0.00 -1.25 -4.98 105.19 109.61 2jah n GLY 7 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2jah n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jah s LYS 8 N -0.33 3.78 -0.16 1.61 -0.14 -0.38 -4.94 119.74 119.18 2jah s LYS 8 Ca 0.00 0.33 0.00 0.00 -1.36 0.00 0.00 55.97 54.95 2jah s LYS 8 Cb 0.00 -2.52 0.01 0.00 -1.68 0.00 0.00 37.83 33.63 2jah s LYS 8 CO 0.00 0.14 -0.17 0.08 -0.76 0.00 0.00 175.35 174.64 2jah s VAL 9 N -2.11 2.46 -0.06 3.17 1.01 -1.26 -0.86 120.40 122.75 2jah s VAL 9 Ca 0.49 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.69 2jah s VAL 9 Cb -0.11 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2jah s VAL 9 CO 0.26 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.68 2jah s ALA 10 N 1.00 2.36 -0.22 5.51 0.00 0.67 -0.66 121.76 130.43 2jah s ALA 10 Ca -0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2jah s ALA 10 Cb -0.15 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 2jah s ALA 10 CO -0.04 0.44 -0.07 -1.17 0.00 0.00 0.00 175.76 174.92 2jah s LEU 11 N -0.29 2.79 -0.19 0.00 2.96 0.29 -0.07 118.68 124.17 2jah s LEU 11 Ca 0.01 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2jah s LEU 11 Cb -0.13 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2jah s LEU 11 CO 0.03 -0.02 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.28 2jah s ILE 12 N 1.44 2.78 0.31 6.68 1.09 -0.52 -0.16 121.20 132.81 2jah s ILE 12 Ca 0.05 -0.70 -0.07 0.00 -1.10 0.00 0.00 60.65 58.84 2jah s ILE 12 Cb -0.14 -2.22 -0.06 0.00 -1.06 0.00 0.00 42.46 38.98 2jah s ILE 12 CO -0.05 0.48 0.60 0.42 -0.10 0.00 0.00 174.94 176.29 2jah s THR 13 N 1.29 4.96 -1.12 2.92 -4.23 -0.33 -1.10 115.64 118.03 2jah s THR 13 Ca 0.04 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 2jah s THR 13 Cb -0.14 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 69.99 2jah s THR 13 CO -0.06 -0.34 0.97 0.61 -0.54 0.00 0.00 174.62 175.26 2jah n GLY 14 N -0.93 -0.29 0.45 3.99 0.00 0.42 -2.98 105.19 105.84 2jah n GLY 14 Ca -0.01 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2jah n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jah n ALA 15 N -4.49 2.58 0.27 4.61 0.00 -0.87 -3.58 120.51 119.04 2jah n ALA 15 Ca -0.02 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.12 2jah n ALA 15 Cb 0.56 -1.18 0.34 0.00 0.00 0.00 0.00 19.45 19.17 2jah n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jah h SER 16 N 2.21 0.00 -5.02 0.00 4.64 -1.90 -3.25 113.55 110.24 2jah h SER 16 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jah h SER 16 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2jah h SER 16 CO 0.00 0.00 0.25 -0.94 -0.87 0.00 0.00 176.83 175.27 2jah s SER 17 N -5.89 -0.00 0.96 4.97 1.04 -1.26 -4.79 113.70 108.74 2jah s SER 17 Ca 0.06 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2jah s SER 17 Cb 0.07 0.83 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2jah s SER 17 CO 0.62 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2jah n GLY 18 N -0.52 2.90 0.32 7.32 0.00 -1.26 -2.12 105.19 111.84 2jah n GLY 18 Ca -0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 2jah n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jah h ILE 19 N 0.00 1.26 -0.60 -0.61 2.04 -1.87 -2.35 117.51 115.37 2jah h ILE 19 Ca 0.00 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2jah h ILE 19 Cb 0.00 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2jah h ILE 19 CO 0.00 0.33 0.35 1.23 0.00 0.00 0.00 178.15 180.05 2jah h GLY 20 N 1.08 0.88 1.00 5.37 0.00 -1.60 0.14 103.07 109.94 2jah h GLY 20 Ca 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2jah h GLY 20 CO -0.02 0.37 0.29 -2.09 0.00 0.00 0.00 176.54 175.08 2jah h GLU 21 N 0.81 0.59 -0.18 4.80 4.81 -1.22 -0.85 114.58 123.34 2jah h GLU 21 Ca 0.21 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 2jah h GLU 21 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2jah h GLU 21 CO -0.04 0.41 -0.44 0.00 -0.73 0.00 0.00 179.01 178.21 2jah h ALA 22 N 1.15 0.90 -0.33 2.92 0.00 -1.03 -2.18 119.26 120.68 2jah h ALA 22 Ca 0.16 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2jah h ALA 22 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jah h ALA 22 CO -0.03 0.64 -0.11 1.15 0.00 0.00 0.00 179.25 180.90 2jah h THR 23 N 0.36 1.28 -0.55 0.00 2.02 -0.56 -0.76 112.91 114.70 2jah h THR 23 Ca 0.03 -1.18 0.07 0.00 0.77 0.00 0.00 66.41 66.09 2jah h THR 23 Cb 0.93 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 2jah h THR 23 CO 0.08 0.38 0.25 0.00 0.37 0.00 0.00 175.52 176.60 2jah h ALA 24 N 0.80 0.71 -0.44 6.16 0.00 -1.07 -0.16 119.26 125.25 2jah h ALA 24 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jah h ALA 24 Cb 0.62 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jah h ALA 24 CO 0.04 -0.13 0.28 0.00 0.00 0.00 0.00 179.25 179.44 2jah h ARG 25 N 0.46 0.55 -0.47 0.00 3.08 -1.22 -1.20 114.38 115.60 2jah h ARG 25 Ca 0.26 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 2jah h ARG 25 Cb 0.24 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2jah h ARG 25 CO -0.22 0.37 -0.16 0.00 -1.07 0.00 0.00 179.97 178.89 2jah h ALA 26 N 1.17 0.65 -0.29 0.04 0.00 -0.73 -1.58 119.26 118.51 2jah h ALA 26 Ca 0.17 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2jah h ALA 26 Cb -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2jah h ALA 26 CO -0.05 0.59 -0.29 -0.07 0.00 0.00 0.00 179.25 179.43 2jah h LEU 27 N 0.78 0.77 -0.60 0.00 3.38 -0.97 -2.75 115.31 115.92 2jah h LEU 27 Ca 0.11 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.67 2jah h LEU 27 Cb 0.72 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2jah h LEU 27 CO 0.06 1.08 0.31 0.00 0.09 0.00 0.00 178.44 179.97 2jah h ALA 28 N 0.71 0.78 -0.06 1.53 0.00 -1.20 -2.22 119.26 118.80 2jah h ALA 28 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jah h ALA 28 Cb 0.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jah h ALA 28 CO 0.07 -0.04 0.07 0.00 0.00 0.00 0.00 179.25 179.35 2jah h ALA 29 N 1.33 1.58 -0.17 0.00 0.00 -1.12 0.17 119.26 121.05 2jah h ALA 29 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jah h ALA 29 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jah h ALA 29 CO -0.19 -0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.35 2jah n GLU 30 N -3.77 1.70 -0.11 0.00 -0.58 -0.89 -4.60 120.64 112.40 2jah n GLU 30 Ca -0.02 -1.06 0.00 0.00 -0.42 0.00 0.00 57.16 55.67 2jah n GLU 30 Cb 0.16 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2jah n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jah n GLY 31 N 1.11 0.68 3.76 0.62 0.00 0.60 -1.04 105.19 110.93 2jah n GLY 31 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2jah n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jah s ALA 32 N -2.15 3.44 0.19 4.61 0.00 -0.90 -3.75 121.76 123.20 2jah s ALA 32 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2jah s ALA 32 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 2jah s ALA 32 CO 0.00 -0.34 1.22 0.00 0.00 0.00 0.00 175.76 176.63 2jah s ALA 33 N -1.03 3.45 -0.12 0.00 0.00 -0.04 -4.26 121.76 119.77 2jah s ALA 33 Ca 0.47 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.44 2jah s ALA 33 Cb -0.35 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2jah s ALA 33 CO 0.45 -0.40 -0.22 0.14 0.00 0.00 0.00 175.76 175.72 2jah s VAL 34 N -0.01 2.15 -0.29 0.00 -7.23 -0.56 -0.24 120.40 114.23 2jah s VAL 34 Ca 0.54 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.59 2jah s VAL 34 Cb -0.33 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2jah s VAL 34 CO 0.37 0.55 0.33 0.00 -0.31 0.00 0.00 175.10 176.04 2jah s ALA 35 N 0.50 3.54 -0.21 1.32 0.00 0.90 -1.16 121.76 126.65 2jah s ALA 35 Ca -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2jah s ALA 35 Cb -0.17 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2jah s ALA 35 CO 0.05 -0.72 -0.02 0.96 0.00 0.00 0.00 175.76 176.03 2jah s ILE 36 N 2.00 3.74 -0.06 0.00 -4.36 0.21 -1.44 121.20 121.28 2jah s ILE 36 Ca 0.13 -0.38 0.04 0.00 -0.26 0.00 0.00 60.65 60.18 2jah s ILE 36 Cb -0.16 -2.69 -0.00 0.00 1.25 0.00 0.00 42.46 40.86 2jah s ILE 36 CO 0.11 0.43 -0.20 0.00 0.24 0.00 0.00 174.94 175.51 2jah s ALA 37 N 1.15 1.81 0.09 2.27 0.00 -0.26 -0.56 121.76 126.26 2jah s ALA 37 Ca 0.02 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 2jah s ALA 37 Cb -0.14 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.42 2jah s ALA 37 CO 0.01 0.29 1.12 0.00 0.00 0.00 0.00 175.76 177.18 2jah n ALA 38 N 3.28 -3.04 0.04 0.00 0.00 -0.97 -0.44 120.51 119.38 2jah n ALA 38 Ca -0.19 -0.90 0.02 0.00 0.00 0.00 0.00 53.44 52.38 2jah n ALA 38 Cb 0.53 0.37 -0.07 0.00 0.00 0.00 0.00 19.45 20.27 2jah n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jah n ARG 39 N -0.80 0.62 -3.00 0.00 1.74 -1.20 -0.58 116.66 113.45 2jah n ARG 39 Ca 0.01 0.18 -0.44 0.00 -0.77 0.00 0.00 57.85 56.82 2jah n ARG 39 Cb 0.57 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 2jah n ARG 39 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jah s ARG 40 N -3.02 3.71 0.41 5.56 0.52 -1.26 -4.88 118.95 120.01 2jah s ARG 40 Ca -0.03 -2.07 0.09 0.00 -0.52 0.00 0.00 55.73 53.20 2jah s ARG 40 Cb 0.09 -4.86 0.90 0.00 0.52 0.00 0.00 34.95 31.60 2jah s ARG 40 CO 0.81 -1.68 2.03 -0.39 0.02 0.00 0.00 175.30 176.09 2jah h VAL 41 N 5.39 1.04 -0.89 3.52 -1.51 -1.95 -2.07 116.25 119.78 2jah h VAL 41 Ca 0.18 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2jah h VAL 41 Cb 0.99 0.47 -0.04 0.00 -2.13 0.00 0.00 31.29 30.58 2jah h VAL 41 CO 1.08 0.10 0.54 1.05 -1.23 0.00 0.00 177.57 179.10 2jah h GLU 42 N 0.52 1.20 -0.17 5.19 9.09 -1.99 0.16 114.58 128.58 2jah h GLU 42 Ca 0.19 -0.11 -0.20 0.00 0.05 0.00 0.00 59.36 59.30 2jah h GLU 42 Cb 0.13 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 26.98 2jah h GLU 42 CO -0.05 0.84 -0.68 0.87 0.05 0.00 0.00 179.01 180.04 2jah h LYS 43 N 1.22 0.67 -0.65 1.06 1.57 -1.78 -2.54 116.57 116.11 2jah h LYS 43 Ca 0.32 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2jah h LYS 43 Cb -0.06 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2jah h LYS 43 CO -0.06 1.12 0.33 -0.07 -0.57 0.00 0.00 179.45 180.20 2jah h LEU 44 N 0.48 0.83 -0.65 2.94 3.38 -0.99 -1.75 115.31 119.56 2jah h LEU 44 Ca -0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2jah h LEU 44 Cb 1.28 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2jah h LEU 44 CO 0.13 0.71 0.22 0.03 0.09 0.00 0.00 178.44 179.63 2jah h ARG 45 N 0.89 0.99 -0.68 1.13 3.08 -0.71 0.93 114.38 120.02 2jah h ARG 45 Ca 0.23 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2jah h ARG 45 Cb 0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2jah h ARG 45 CO -0.03 0.86 0.13 0.00 -1.07 0.00 0.00 179.97 179.85 2jah h ALA 46 N 1.09 0.90 -0.16 0.04 0.00 -1.21 0.22 119.26 120.14 2jah h ALA 46 Ca 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jah h ALA 46 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jah h ALA 46 CO -0.01 0.65 -0.01 1.25 0.00 0.00 0.00 179.25 181.13 2jah h LEU 47 N 1.04 0.29 -0.80 0.00 5.85 -1.23 -2.87 115.31 117.59 2jah h LEU 47 Ca 0.21 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2jah h LEU 47 Cb 0.42 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2jah h LEU 47 CO 0.01 0.55 0.51 1.23 -0.34 0.00 0.00 178.44 180.40 2jah h GLY 48 N 0.03 1.15 0.45 3.75 0.00 -0.55 -0.49 103.07 107.42 2jah h GLY 48 Ca 0.04 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.05 2jah h GLY 48 CO 0.01 0.35 0.07 -0.55 0.00 0.00 0.00 176.54 176.42 2jah h ASP 49 N 1.01 -0.02 -0.17 0.19 3.32 -0.59 -1.13 116.42 119.04 2jah h ASP 49 Ca 0.31 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2jah h ASP 49 Cb -0.02 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2jah h ASP 49 CO -0.10 0.02 0.08 -0.33 -1.72 0.00 0.00 179.24 177.19 2jah h GLU 50 N 0.20 0.24 -0.55 3.56 5.08 -1.07 -1.24 114.58 120.80 2jah h GLU 50 Ca 0.20 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2jah h GLU 50 Cb 0.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2jah h GLU 50 CO -0.28 0.27 0.09 -0.07 -1.00 0.00 0.00 179.01 178.02 2jah h LEU 51 N 0.14 0.87 -1.10 1.33 3.38 -0.98 -0.94 115.31 118.02 2jah h LEU 51 Ca 0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2jah h LEU 51 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2jah h LEU 51 CO -0.01 0.91 -0.01 0.74 0.09 0.00 0.00 178.44 180.16 2jah h THR 52 N 0.80 1.22 -0.77 0.22 2.02 -1.20 0.03 112.91 115.23 2jah h THR 52 Ca 0.17 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2jah h THR 52 Cb 0.41 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2jah h THR 52 CO 0.01 0.31 0.41 0.00 0.37 0.00 0.00 175.52 176.61 2jah h ALA 53 N 1.40 1.27 0.00 6.16 0.00 -0.66 -1.77 119.26 125.66 2jah h ALA 53 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jah h ALA 53 Cb 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jah h ALA 53 CO 0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2jah n ALA 54 N -2.43 2.31 0.00 0.00 0.00 -0.41 -4.91 120.51 115.08 2jah n ALA 54 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jah n ALA 54 Cb 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2jah n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jah n GLY 55 N 1.06 0.88 3.84 0.00 0.00 -0.67 -5.08 105.19 105.24 2jah n GLY 55 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2jah n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jah s ALA 56 N -2.00 3.20 -0.10 4.61 0.00 -0.05 -4.97 121.76 122.45 2jah s ALA 56 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 2jah s ALA 56 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2jah s ALA 56 CO 0.00 0.10 0.60 0.21 0.00 0.00 0.00 175.76 176.67 2jah s LYS 57 N -3.43 4.37 -0.04 0.00 2.20 -1.26 -3.91 119.74 117.68 2jah s LYS 57 Ca 0.57 0.68 0.06 0.00 -0.36 0.00 0.00 55.97 56.91 2jah s LYS 57 Cb -0.10 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2jah s LYS 57 CO 0.22 0.06 -0.21 0.08 -0.36 0.00 0.00 175.35 175.14 2jah s VAL 58 N 0.86 1.73 -0.18 4.02 1.01 -1.26 -1.50 120.40 125.09 2jah s VAL 58 Ca 0.32 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2jah s VAL 58 Cb -0.16 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2jah s VAL 58 CO 0.14 0.49 -0.15 -2.28 0.00 0.00 0.00 175.10 173.30 2jah s HIS 59 N -0.26 2.49 -0.10 5.22 2.46 -0.31 -5.00 115.29 119.79 2jah s HIS 59 Ca 0.02 -1.52 -0.19 0.00 0.47 0.00 0.00 55.06 53.84 2jah s HIS 59 Cb -0.11 -1.73 -0.04 0.00 -0.13 0.00 0.00 32.58 30.57 2jah s HIS 59 CO 0.01 -0.75 0.50 0.08 -2.47 0.00 0.00 174.74 172.12 2jah s VAL 60 N 1.38 5.15 -0.24 0.89 1.01 -1.26 -0.62 120.40 126.71 2jah s VAL 60 Ca 0.02 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2jah s VAL 60 Cb -0.14 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.45 2jah s VAL 60 CO -0.10 0.33 -0.09 -0.76 0.00 0.00 0.00 175.10 174.48 2jah s LEU 61 N 0.53 2.94 -0.31 3.92 1.43 0.28 -4.93 118.68 122.54 2jah s LEU 61 Ca 0.27 -1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 51.86 2jah s LEU 61 Cb -0.16 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.69 2jah s LEU 61 CO 0.12 -0.19 1.22 -0.70 0.23 0.00 0.00 176.35 177.02 2jah s GLU 62 N 1.25 3.97 -0.16 1.70 2.12 -1.26 -2.29 118.70 124.03 2jah s GLU 62 Ca -0.06 1.17 -0.10 0.00 0.36 0.00 0.00 54.97 56.34 2jah s GLU 62 Cb -0.19 -3.83 0.05 0.00 0.26 0.00 0.00 34.13 30.43 2jah s GLU 62 CO -0.06 -1.04 0.39 -1.17 -0.54 0.00 0.00 175.26 172.84 2jah s LEU 63 N 4.10 0.09 -0.34 2.70 2.96 0.26 -4.93 118.68 123.51 2jah s LEU 63 Ca 0.52 0.84 -0.13 0.00 -0.22 0.00 0.00 54.13 55.14 2jah s LEU 63 Cb -0.15 1.29 -0.01 0.00 0.50 0.00 0.00 46.19 47.82 2jah s LEU 63 CO 0.21 -0.18 0.23 -0.62 -1.32 0.00 0.00 176.35 174.67 2jah s ASP 64 N 1.12 5.99 0.61 3.68 -1.08 -1.26 -3.22 116.67 122.50 2jah s ASP 64 Ca -0.07 -0.49 0.35 0.00 -0.52 0.00 0.00 52.55 51.82 2jah s ASP 64 Cb -0.07 -2.12 1.98 0.00 -1.46 0.00 0.00 42.92 41.25 2jah s ASP 64 CO -0.09 -0.25 2.26 -0.37 0.52 0.00 0.00 175.17 177.24 2jah h VAL 65 N 5.53 0.30 0.00 1.11 -1.51 -1.94 -1.33 116.25 118.42 2jah h VAL 65 Ca -0.31 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 2jah h VAL 65 Cb 1.15 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2jah h VAL 65 CO 0.64 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 177.00 2jah h ALA 66 N 1.98 1.00 -1.65 5.19 0.00 -1.90 -3.39 119.26 120.49 2jah h ALA 66 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 2jah h ALA 66 Cb 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 2jah h ALA 66 CO 0.00 0.00 0.73 0.34 0.00 0.00 0.00 179.25 180.33 2jah s ASP 67 N -5.37 6.31 0.21 0.00 2.15 -0.50 -4.91 116.67 114.55 2jah s ASP 67 Ca 0.01 -1.25 -0.13 0.00 0.43 0.00 0.00 52.55 51.61 2jah s ASP 67 Cb 0.09 -2.44 0.25 0.00 -0.30 0.00 0.00 42.92 40.53 2jah s ASP 67 CO 0.49 -1.39 1.64 -0.09 -0.17 0.00 0.00 175.17 175.66 2jah h ARG 68 N 9.44 0.04 -0.37 4.34 2.43 -1.86 0.16 114.38 128.57 2jah h ARG 68 Ca -0.14 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 2jah h ARG 68 Cb 1.05 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2jah h ARG 68 CO 1.19 0.03 -0.11 1.96 -1.51 0.00 0.00 179.97 181.53 2jah h GLN 69 N 0.04 0.65 -0.84 0.20 1.08 -1.96 -2.10 115.11 112.18 2jah h GLN 69 Ca 0.31 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2jah h GLN 69 Cb 0.48 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.81 2jah h GLN 69 CO -0.59 0.74 0.44 0.78 -0.95 0.00 0.00 178.83 179.26 2jah h GLY 70 N 0.96 1.25 0.77 3.46 0.00 -1.34 -1.25 103.07 106.92 2jah h GLY 70 Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2jah h GLY 70 CO 0.03 0.55 0.01 -2.08 0.00 0.00 0.00 176.54 175.05 2jah h VAL 71 N 1.17 1.23 -0.18 4.60 2.07 -0.49 -0.70 116.25 123.96 2jah h VAL 71 Ca 0.29 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2jah h VAL 71 Cb 0.05 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2jah h VAL 71 CO -0.04 0.20 -0.12 0.44 0.02 0.00 0.00 177.57 178.06 2jah h ASP 72 N -0.11 -0.40 -0.64 0.57 3.45 -1.24 -2.43 116.42 115.61 2jah h ASP 72 Ca 0.02 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 2jah h ASP 72 Cb 0.31 0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.25 2jah h ASP 72 CO 0.00 -0.16 0.39 0.00 -1.57 0.00 0.00 179.24 177.90 2jah h ALA 73 N 1.01 1.46 -0.51 3.45 0.00 -1.14 -1.56 119.26 121.97 2jah h ALA 73 Ca 0.11 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2jah h ALA 73 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jah h ALA 73 CO -0.26 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.28 2jah h ALA 74 N 1.54 0.72 -0.57 0.00 0.00 -0.83 -1.78 119.26 118.34 2jah h ALA 74 Ca 0.24 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jah h ALA 74 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jah h ALA 74 CO -0.04 0.68 0.22 0.28 0.00 0.00 0.00 179.25 180.38 2jah h VAL 75 N 0.88 1.22 -0.27 0.00 2.07 -1.13 -2.64 116.25 116.38 2jah h VAL 75 Ca 0.12 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2jah h VAL 75 Cb 0.75 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2jah h VAL 75 CO 0.06 0.27 0.10 0.00 0.02 0.00 0.00 177.57 178.02 2jah h ALA 76 N 1.07 0.36 -0.01 1.67 0.00 -1.14 -2.59 119.26 118.61 2jah h ALA 76 Ca 0.19 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2jah h ALA 76 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jah h ALA 76 CO -0.01 -0.03 -0.54 0.66 0.00 0.00 0.00 179.25 179.33 2jah h SER 77 N 0.28 0.02 -0.15 0.00 4.64 -1.34 -1.91 113.55 115.09 2jah h SER 77 Ca 0.09 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2jah h SER 77 Cb 0.22 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2jah h SER 77 CO -0.00 0.56 0.09 0.74 -0.87 0.00 0.00 176.83 177.35 2jah h THR 78 N 0.02 1.08 -0.51 2.95 2.02 -1.46 0.82 112.91 117.83 2jah h THR 78 Ca -0.00 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2jah h THR 78 Cb 0.97 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 2jah h THR 78 CO 0.07 0.08 0.20 0.58 0.37 0.00 0.00 175.52 176.82 2jah h VAL 79 N 0.16 1.22 -0.21 3.16 2.07 -1.18 0.74 116.25 122.22 2jah h VAL 79 Ca 0.06 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2jah h VAL 79 Cb 0.05 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2jah h VAL 79 CO -0.01 0.26 0.13 -0.08 0.02 0.00 0.00 177.57 177.89 2jah h GLU 80 N 0.69 0.28 0.01 1.57 4.57 -1.36 -1.71 114.58 118.63 2jah h GLU 80 Ca 0.17 -0.02 -0.24 0.00 -1.18 0.00 0.00 59.36 58.09 2jah h GLU 80 Cb 0.21 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2jah h GLU 80 CO -0.01 0.21 -0.93 0.00 -1.18 0.00 0.00 179.01 177.09 2jah h ALA 81 N 1.06 0.10 -0.01 2.92 0.00 -0.44 -3.38 119.26 119.51 2jah h ALA 81 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jah h ALA 81 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jah h ALA 81 CO -0.02 0.59 -0.25 1.28 0.00 0.00 0.00 179.25 180.85 2jah n LEU 82 N -3.95 1.01 0.00 0.00 4.77 0.26 -5.02 117.00 114.06 2jah n LEU 82 Ca -0.11 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2jah n LEU 82 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2jah n LEU 82 CO 0.54 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2jah n GLY 83 N 0.95 2.92 0.00 -0.72 0.00 -0.64 -4.94 105.19 102.76 2jah n GLY 83 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jah n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jah n GLY 84 N -0.93 -0.63 2.99 -0.02 0.00 -1.24 -4.94 105.19 100.43 2jah n GLY 84 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2jah n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jah s LEU 85 N 0.00 -0.10 -0.10 0.99 2.96 -1.26 -4.46 118.68 116.71 2jah s LEU 85 Ca 0.00 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2jah s LEU 85 Cb 0.00 0.65 -0.07 0.00 0.50 0.00 0.00 46.19 47.27 2jah s LEU 85 CO 0.00 -0.22 -0.07 0.47 -1.32 0.00 0.00 176.35 175.21 2jah n ASP 86 N 5.08 3.17 -3.95 3.68 8.00 0.17 -4.15 116.55 128.56 2jah n ASP 86 Ca -0.10 -0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.12 2jah n ASP 86 Cb 0.50 -0.02 -0.17 0.00 -0.02 0.00 0.00 41.12 41.42 2jah n ASP 86 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jah s ILE 87 N -2.20 0.84 -0.14 0.53 1.01 -0.13 -0.65 121.20 120.46 2jah s ILE 87 Ca -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2jah s ILE 87 Cb 0.03 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 2jah s ILE 87 CO 0.25 0.30 -0.11 -0.22 0.00 0.00 0.00 174.94 175.16 2jah s LEU 88 N 0.94 2.78 -0.36 2.97 2.96 -0.14 -0.55 118.68 127.28 2jah s LEU 88 Ca -0.10 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2jah s LEU 88 Cb -0.15 -1.64 0.09 0.00 0.50 0.00 0.00 46.19 44.99 2jah s LEU 88 CO 0.00 0.14 0.10 -0.69 -1.32 0.00 0.00 176.35 174.59 2jah s VAL 89 N 0.48 3.01 -1.17 1.68 1.01 0.77 0.70 120.40 126.88 2jah s VAL 89 Ca -0.08 -1.86 -0.18 0.00 0.00 0.00 0.00 61.98 59.86 2jah s VAL 89 Cb -0.15 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.36 2jah s VAL 89 CO 0.04 -0.46 1.53 0.20 0.00 0.00 0.00 175.10 176.41 2jah s ASN 90 N 1.47 6.78 -0.04 3.32 0.01 0.32 -1.19 114.94 125.61 2jah s ASN 90 Ca 0.04 -2.28 0.13 0.00 -0.71 0.00 0.00 52.86 50.04 2jah s ASN 90 Cb -0.21 -2.52 -0.20 0.00 0.41 0.00 0.00 41.25 38.73 2jah s ASN 90 CO -0.04 -1.15 0.25 -3.20 -1.51 0.00 0.00 177.10 171.45 2jah n ASN 91 N 7.69 1.86 -4.65 -1.22 2.85 -1.22 -4.66 115.26 115.92 2jah n ASN 91 Ca 0.39 0.00 -0.49 0.00 -0.11 0.00 0.00 54.58 54.38 2jah n ASN 91 Cb 0.47 1.46 -0.05 0.00 1.24 0.00 0.00 39.78 42.90 2jah n ASN 91 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jah n ALA 92 N -2.08 0.49 -3.53 5.20 0.00 -1.16 -4.77 120.51 114.66 2jah n ALA 92 Ca -0.06 0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 2jah n ALA 92 Cb 0.47 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2jah n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jah s GLY 93 N 1.24 -0.40 0.00 0.00 0.00 -1.26 -4.56 107.32 102.33 2jah s GLY 93 Ca 0.83 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.79 2jah s GLY 93 CO 0.44 0.43 0.00 0.29 0.00 0.00 0.00 173.10 174.25 2jah n ILE 94 N -0.15 0.00 0.00 0.90 -5.35 -1.26 -5.03 119.36 108.47 2jah n ILE 94 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2jah n ILE 94 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 2jah n ILE 94 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2jah n LEU 96 N 0.00 0.00 -4.87 7.28 4.77 -1.26 -4.92 117.00 118.00 2jah n LEU 96 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2jah n LEU 96 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2jah n LEU 96 CO 0.00 0.00 0.33 -0.76 -1.33 0.00 0.00 177.39 175.63 2jah s LEU 97 N 0.00 4.05 0.00 2.23 1.43 -1.26 -4.74 118.68 120.39 2jah s LEU 97 Ca 0.00 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2jah s LEU 97 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2jah s LEU 97 CO 0.00 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 176.99 2jah n GLY 98 N -0.57 2.44 3.71 -3.19 0.00 -0.05 -4.06 105.19 103.47 2jah n GLY 98 Ca 0.02 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2jah n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jah s PRO 99 N -2.00 1.52 0.09 1.61 0.04 -1.26 -4.23 135.00 130.77 2jah s PRO 99 Ca 0.00 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.22 2jah s PRO 99 Cb 0.00 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 2jah s PRO 99 CO 0.00 -2.21 1.39 0.28 0.04 0.00 0.00 177.00 176.50 2jah h VAL 100 N -1.55 1.31 -2.68 -0.36 2.07 -2.00 -3.38 116.25 109.65 2jah h VAL 100 Ca -0.44 -1.53 -0.57 0.00 0.82 0.00 0.00 66.70 64.98 2jah h VAL 100 Cb 1.25 1.67 0.07 0.00 -1.52 0.00 0.00 31.29 32.76 2jah h VAL 100 CO 0.47 0.49 0.75 1.21 0.02 0.00 0.00 177.57 180.50 2jah n GLU 101 N -4.24 2.26 -3.82 1.57 2.13 -1.26 -1.88 120.64 115.41 2jah n GLU 101 Ca -0.04 0.81 -0.32 0.00 0.66 0.00 0.00 57.16 58.26 2jah n GLU 101 Cb 0.50 -2.54 -0.06 0.00 0.27 0.00 0.00 31.44 29.62 2jah n GLU 101 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2jah n ASP 102 N 2.66 -1.43 -4.75 4.31 5.75 -1.26 -4.93 116.55 116.90 2jah n ASP 102 Ca 0.13 -0.90 -0.37 0.00 -0.01 0.00 0.00 54.79 53.64 2jah n ASP 102 Cb 0.32 -1.26 0.03 0.00 -1.03 0.00 0.00 41.12 39.19 2jah n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jah s ALA 103 N -2.73 2.67 -0.51 2.12 0.00 -0.79 -4.93 121.76 117.59 2jah s ALA 103 Ca 0.63 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 53.41 2jah s ALA 103 Cb -0.36 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.27 2jah s ALA 103 CO 0.77 -1.18 1.59 0.34 0.00 0.00 0.00 175.76 177.28 2jah s ASP 104 N -1.37 5.90 0.22 0.00 -1.08 -1.26 -4.87 116.67 114.21 2jah s ASP 104 Ca 0.74 0.56 0.19 0.00 -0.52 0.00 0.00 52.55 53.52 2jah s ASP 104 Cb -0.33 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.48 2jah s ASP 104 CO 0.38 -1.84 1.58 0.35 0.52 0.00 0.00 175.17 176.16 2jah n THR 105 N 7.07 1.07 0.23 1.71 -2.24 -1.26 -0.80 114.28 120.06 2jah n THR 105 Ca 0.17 0.45 0.09 0.00 -2.27 0.00 0.00 64.05 62.48 2jah n THR 105 Cb 0.49 -1.39 0.53 0.00 -2.10 0.00 0.00 70.33 67.86 2jah n THR 105 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2jah h THR 106 N 0.00 0.78 -0.55 4.28 1.35 -2.00 -1.82 112.91 114.95 2jah h THR 106 Ca 0.00 -0.97 0.10 0.00 -0.55 0.00 0.00 66.41 64.99 2jah h THR 106 Cb 0.17 1.59 -0.08 0.00 -1.73 0.00 0.00 68.15 68.11 2jah h THR 106 CO 0.00 0.23 0.12 0.44 -0.25 0.00 0.00 175.52 176.07 2jah h ASP 107 N 0.00 0.02 -0.12 5.36 5.19 -1.37 -1.91 116.42 123.59 2jah h ASP 107 Ca -0.00 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 2jah h ASP 107 Cb 0.57 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.21 2jah h ASP 107 CO 0.03 0.03 -0.10 -0.50 -3.12 0.00 0.00 179.24 175.59 2jah h TRP 108 N 0.26 0.33 -0.70 4.55 6.55 -1.47 -3.14 115.95 122.33 2jah h TRP 108 Ca 0.28 -0.09 -0.07 0.00 0.95 0.00 0.00 58.89 59.96 2jah h TRP 108 Cb 0.39 -0.07 -0.03 0.00 -0.86 0.00 0.00 29.16 28.59 2jah h TRP 108 CO -0.23 0.67 0.16 1.79 -1.05 0.00 0.00 178.44 179.78 2jah h THR 109 N -0.10 1.26 0.00 1.49 1.35 -1.40 -0.27 112.91 115.24 2jah h THR 109 Ca 0.02 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2jah h THR 109 Cb 0.60 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2jah h THR 109 CO 0.03 0.38 0.00 0.54 -0.25 0.00 0.00 175.52 176.21 2jah n ARG 110 N -4.23 0.00 0.00 4.72 1.74 -0.72 -0.51 116.66 117.67 2jah n ARG 110 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2jah n ARG 110 Cb 0.26 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 2jah n ARG 110 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2jah n ILE 112 N 0.43 0.00 -0.31 0.55 5.41 -0.11 -1.72 119.36 123.61 2jah n ILE 112 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2jah n ILE 112 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.01 2jah n ILE 112 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2jah h ASP 113 N 0.00 1.00 0.00 4.38 3.32 -1.04 0.59 116.42 124.67 2jah h ASP 113 Ca 0.00 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2jah h ASP 113 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2jah h ASP 113 CO 0.00 0.77 -0.43 0.74 -1.72 0.00 0.00 179.24 178.59 2jah h THR 114 N 1.14 0.35 -0.07 0.35 2.02 -1.57 0.23 112.91 115.37 2jah h THR 114 Ca 0.30 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.00 2jah h THR 114 Cb -0.05 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2jah h THR 114 CO -0.06 0.12 -0.56 0.78 0.37 0.00 0.00 175.52 176.17 2jah h ASN 115 N -1.00 0.22 0.00 4.18 4.21 -1.78 -3.22 115.58 118.19 2jah h ASN 115 Ca -0.06 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.33 2jah h ASN 115 Cb 0.55 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2jah h ASN 115 CO -0.04 0.74 0.00 -0.11 -1.29 0.00 0.00 177.43 176.73 2jah n LEU 116 N -3.90 0.00 -0.22 1.61 7.94 -0.98 -4.37 117.00 117.08 2jah n LEU 116 Ca -0.02 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.82 2jah n LEU 116 Cb 0.59 -0.24 0.04 0.00 0.53 0.00 0.00 43.42 44.33 2jah n LEU 116 CO 0.43 -0.48 1.08 0.25 -1.11 0.00 0.00 177.39 177.56 2jah h LEU 117 N 0.00 0.76 -0.36 -1.96 5.85 -0.98 -2.71 115.31 115.90 2jah h LEU 117 Ca 0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jah h LEU 117 Cb 0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2jah h LEU 117 CO 0.00 0.62 0.21 1.23 -0.34 0.00 0.00 178.44 180.16 2jah h GLY 118 N 0.83 0.53 -1.19 3.75 0.00 -0.59 0.14 103.07 106.54 2jah h GLY 118 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jah h GLY 118 CO -0.04 0.22 0.00 -0.10 0.00 0.00 0.00 176.54 176.62 2jah n LEU 119 N -4.79 0.00 -0.34 3.11 0.00 -1.02 -4.64 117.00 109.32 2jah n LEU 119 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2jah n LEU 119 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.48 2jah n LEU 119 CO 0.35 0.00 0.00 -1.22 0.00 0.00 0.00 177.39 176.52 2jah n TYR 121 N 0.60 -0.34 0.00 1.96 0.53 0.49 -4.69 117.16 115.70 2jah n TYR 121 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2jah n TYR 121 Cb 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 39.34 37.89 2jah n TYR 121 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 2jah n THR 123 N -0.34 0.00 -0.20 -0.72 -1.04 -1.26 -1.18 114.28 109.53 2jah n THR 123 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2jah n THR 123 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2jah n THR 123 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2jah h ARG 124 N 0.00 0.80 -0.52 -2.82 2.43 -1.96 -1.63 114.38 110.68 2jah h ARG 124 Ca 0.00 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2jah h ARG 124 Cb 0.00 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2jah h ARG 124 CO 0.00 0.61 -0.06 0.00 -1.51 0.00 0.00 179.97 179.00 2jah h ALA 125 N 1.15 0.91 0.00 2.80 0.00 -1.54 -3.06 119.26 119.53 2jah h ALA 125 Ca 0.20 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2jah h ALA 125 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jah h ALA 125 CO -0.03 0.64 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 2jah h ALA 126 N 1.08 0.71 -0.77 0.00 0.00 -1.79 -3.38 119.26 115.10 2jah h ALA 126 Ca 0.14 -0.44 0.14 0.00 0.00 0.00 0.00 54.91 54.76 2jah h ALA 126 Cb 0.58 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2jah h ALA 126 CO 0.04 0.60 0.33 1.25 0.00 0.00 0.00 179.25 181.47 2jah h LEU 127 N 0.00 0.34 -0.74 0.00 5.85 -1.18 -0.46 115.31 119.12 2jah h LEU 127 Ca -0.00 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2jah h LEU 127 Cb 1.33 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 2jah h LEU 127 CO 0.06 0.14 0.44 -0.65 -0.34 0.00 0.00 178.44 178.08 2jah h PRO 128 N 0.49 0.79 -0.17 5.25 0.11 -1.76 1.00 132.00 137.70 2jah h PRO 128 Ca 0.42 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.31 2jah h PRO 128 Cb 0.62 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 2jah h PRO 128 CO -0.39 0.52 -0.60 0.45 -0.21 0.00 0.00 178.00 177.78 2jah h HIS 129 N 0.81 0.71 -0.44 0.65 3.86 -1.42 -2.60 115.15 116.73 2jah h HIS 129 Ca 0.32 -0.27 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 2jah h HIS 129 Cb 0.15 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2jah h HIS 129 CO -0.06 1.02 -0.19 -0.07 0.86 0.00 0.00 177.93 179.49 2jah h LEU 130 N 0.42 0.88 -0.46 2.43 3.38 -0.85 -2.23 115.31 118.88 2jah h LEU 130 Ca -0.00 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.71 2jah h LEU 130 Cb 1.15 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2jah h LEU 130 CO 0.11 1.05 0.18 -0.07 0.09 0.00 0.00 178.44 179.80 2jah h LEU 131 N 0.76 0.20 -1.19 1.67 3.38 -0.70 0.11 115.31 119.55 2jah h LEU 131 Ca 0.11 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2jah h LEU 131 Cb 0.73 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2jah h LEU 131 CO 0.06 0.15 -0.27 0.03 0.09 0.00 0.00 178.44 178.50 2jah h ARG 132 N 0.36 0.23 -0.12 1.13 3.08 -1.23 -3.10 114.38 114.73 2jah h ARG 132 Ca 0.22 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2jah h ARG 132 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2jah h ARG 132 CO -0.21 0.48 0.00 -1.13 -1.07 0.00 0.00 179.97 178.05 2jah n SER 133 N -4.15 2.79 -3.94 7.04 3.41 -0.86 -4.96 113.62 112.95 2jah n SER 133 Ca -0.01 -1.90 -0.28 0.00 -0.26 0.00 0.00 58.87 56.42 2jah n SER 133 Cb 0.37 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 2jah n SER 133 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jah n LYS 134 N 1.13 -2.70 -0.76 4.33 5.02 -0.32 -4.95 118.16 119.92 2jah n LYS 134 Ca 0.16 0.38 -0.07 0.00 -2.02 0.00 0.00 58.31 56.76 2jah n LYS 134 Cb 0.55 -4.32 0.04 0.00 -0.02 0.00 0.00 35.03 31.28 2jah n LYS 134 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jah n GLY 135 N -1.98 -0.36 3.07 0.72 0.00 0.24 -4.74 105.19 102.14 2jah n GLY 135 Ca -0.27 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 2jah n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jah s THR 136 N -1.24 1.11 -0.20 2.61 2.01 0.18 -1.46 115.64 118.64 2jah s THR 136 Ca 0.18 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2jah s THR 136 Cb -0.01 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 2jah s THR 136 CO 0.12 0.33 -0.02 0.54 -0.69 0.00 0.00 174.62 174.90 2jah s VAL 137 N 0.11 3.69 -0.31 3.82 0.11 0.36 -0.97 120.40 127.22 2jah s VAL 137 Ca -0.03 -0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 58.53 2jah s VAL 137 Cb -0.10 -2.67 -0.00 0.00 -1.53 0.00 0.00 36.38 32.08 2jah s VAL 137 CO 0.01 0.43 0.14 -0.69 -3.33 0.00 0.00 175.10 171.66 2jah s VAL 138 N 1.13 4.50 0.00 2.04 1.01 0.22 -0.60 120.40 128.69 2jah s VAL 138 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2jah s VAL 138 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2jah s VAL 138 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.17 2jah n GLN 139 N 4.96 3.60 0.00 2.72 1.13 0.15 -0.52 117.38 129.42 2jah n GLN 139 Ca -0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2jah n GLN 139 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.84 2jah n GLN 139 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2jah n SER 141 N 0.00 0.00 -3.60 1.08 2.88 0.45 -1.04 113.62 113.39 2jah n SER 141 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2jah n SER 141 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2jah n SER 141 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jah s SER 142 N -4.00 -0.13 0.51 -3.46 0.15 -1.24 -4.48 113.70 101.06 2jah s SER 142 Ca 0.00 -0.06 0.28 0.00 0.70 0.00 0.00 55.95 56.88 2jah s SER 142 Cb 0.00 0.18 1.40 0.00 -1.71 0.00 0.00 66.02 65.89 2jah s SER 142 CO 0.00 -0.30 1.89 -0.29 1.20 0.00 0.00 173.24 175.74 2jah h ILE 143 N 2.00 0.59 0.00 6.45 2.10 -1.23 0.40 117.51 127.82 2jah h ILE 143 Ca -0.17 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2jah h ILE 143 Cb 1.18 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 2jah h ILE 143 CO 0.25 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.33 2jah n ALA 144 N -2.67 1.42 1.41 0.18 0.00 -1.26 -0.48 120.51 119.11 2jah n ALA 144 Ca 0.18 -0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.75 2jah n ALA 144 Cb 0.88 -1.19 0.45 0.00 0.00 0.00 0.00 19.45 19.59 2jah n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jah n GLY 145 N -0.54 0.05 0.00 0.00 0.00 0.13 -4.15 105.19 100.68 2jah n GLY 145 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2jah n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jah n ARG 146 N 0.22 2.75 -4.11 1.61 5.12 0.32 -4.42 116.66 118.15 2jah n ARG 146 Ca 0.18 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.92 2jah n ARG 146 Cb 0.39 -0.84 -0.16 0.00 -1.16 0.00 0.00 32.46 30.69 2jah n ARG 146 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jah s VAL 147 N -1.69 0.40 -0.23 1.55 1.01 0.37 -5.13 120.40 116.68 2jah s VAL 147 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 2jah s VAL 147 Cb 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 2jah s VAL 147 CO 0.00 0.16 0.13 0.20 0.00 0.00 0.00 175.10 175.60 2jah s ASN 148 N 0.55 5.97 0.32 3.32 0.01 -1.26 -4.27 114.94 119.57 2jah s ASN 148 Ca -0.06 0.09 0.10 0.00 -0.71 0.00 0.00 52.86 52.28 2jah s ASN 148 Cb -0.10 -2.07 -0.06 0.00 0.41 0.00 0.00 41.25 39.44 2jah s ASN 148 CO -0.00 0.09 -0.14 0.68 -1.51 0.00 0.00 177.10 176.22 2jah s VAL 149 N 0.91 2.31 0.59 1.60 -7.23 -1.26 -5.13 120.40 112.20 2jah s VAL 149 Ca 0.07 -2.28 -0.20 0.00 -1.81 0.00 0.00 61.98 57.75 2jah s VAL 149 Cb -0.13 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2jah s VAL 149 CO 0.03 -0.29 1.31 -0.13 -0.31 0.00 0.00 175.10 175.71 2jah s ARG 150 N -3.57 2.92 -0.59 4.82 0.52 -1.26 -3.48 118.95 118.32 2jah s ARG 150 Ca 0.31 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 2jah s ARG 150 Cb -0.00 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2jah s ARG 150 CO 0.16 -1.32 0.00 0.09 0.02 0.00 0.00 175.30 174.24 2jah n ASN 151 N -1.40 -4.02 -1.13 0.23 3.02 -1.26 -4.86 115.26 105.84 2jah n ASN 151 Ca 0.13 0.14 0.05 0.00 -0.03 0.00 0.00 54.58 54.86 2jah n ASN 151 Cb 0.47 -2.01 0.09 0.00 -0.61 0.00 0.00 39.78 37.72 2jah n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jah n ALA 152 N 1.10 2.78 0.07 5.41 0.00 -1.23 -0.87 120.51 127.78 2jah n ALA 152 Ca -0.06 -2.62 -0.12 0.00 0.00 0.00 0.00 53.44 50.65 2jah n ALA 152 Cb 0.24 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 2jah n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jah h ALA 153 N 0.93 -0.14 -0.01 0.00 0.00 -1.81 0.13 119.26 118.36 2jah h ALA 153 Ca -0.14 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 2jah h ALA 153 Cb 1.56 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2jah h ALA 153 CO 0.06 -0.60 -0.94 0.28 0.00 0.00 0.00 179.25 178.05 2jah h VAL 154 N -0.18 1.39 -0.21 0.00 2.07 -1.92 -0.15 116.25 117.25 2jah h VAL 154 Ca 0.01 -2.41 0.04 0.00 0.82 0.00 0.00 66.70 65.16 2jah h VAL 154 Cb 0.19 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2jah h VAL 154 CO -0.04 0.72 -0.00 0.22 0.02 0.00 0.00 177.57 178.49 2jah h TYR 155 N 0.25 -0.01 -0.57 1.57 3.20 -1.81 -0.90 116.97 118.70 2jah h TYR 155 Ca -0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 2jah h TYR 155 Cb 1.57 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.86 2jah h TYR 155 CO 0.06 -0.03 0.23 1.96 -1.64 0.00 0.00 178.16 178.74 2jah h GLN 156 N 0.07 0.85 -0.62 1.82 4.20 -0.68 -2.17 115.11 118.58 2jah h GLN 156 Ca 0.10 -0.15 0.13 0.00 0.06 0.00 0.00 58.65 58.78 2jah h GLN 156 Cb 0.13 -0.14 -0.10 0.00 0.30 0.00 0.00 27.48 27.67 2jah h GLN 156 CO -0.17 0.73 0.04 0.00 -0.67 0.00 0.00 178.83 178.77 2jah h ALA 157 N 1.08 0.65 -0.70 3.87 0.00 -0.69 0.10 119.26 123.57 2jah h ALA 157 Ca 0.19 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 2jah h ALA 157 Cb 0.20 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jah h ALA 157 CO -0.02 -0.37 0.19 1.79 0.00 0.00 0.00 179.25 180.84 2jah h THR 158 N 0.16 1.26 0.13 0.00 1.35 -0.58 -1.12 112.91 114.11 2jah h THR 158 Ca 0.33 -0.94 -0.30 0.00 -0.55 0.00 0.00 66.41 64.94 2jah h THR 158 Cb 0.52 0.53 0.03 0.00 -1.73 0.00 0.00 68.15 67.50 2jah h THR 158 CO -0.49 0.36 -1.26 0.11 -0.25 0.00 0.00 175.52 173.99 2jah h LYS 159 N 1.05 0.61 -0.80 4.72 1.79 -0.90 0.23 116.57 123.28 2jah h LYS 159 Ca 0.22 -0.82 0.01 0.00 -2.18 0.00 0.00 60.65 57.88 2jah h LYS 159 Cb 0.35 0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 2jah h LYS 159 CO -0.00 1.38 0.52 0.74 -1.08 0.00 0.00 179.45 181.00 2jah h PHE 160 N 0.26 1.01 -0.29 -1.35 -1.00 -0.84 -1.61 116.94 113.13 2jah h PHE 160 Ca -0.19 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.60 2jah h PHE 160 Cb 1.93 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 41.14 2jah h PHE 160 CO 0.11 0.64 0.14 0.78 -1.61 0.00 0.00 178.31 178.38 2jah h GLY 161 N 1.09 0.44 0.43 -1.45 0.00 -0.90 -1.57 103.07 101.10 2jah h GLY 161 Ca 0.29 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.51 2jah h GLY 161 CO -0.06 0.20 0.38 -2.08 0.00 0.00 0.00 176.54 174.98 2jah h VAL 162 N 0.34 0.83 -0.15 4.60 2.07 -0.24 -1.05 116.25 122.65 2jah h VAL 162 Ca 0.10 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2jah h VAL 162 Cb 0.10 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2jah h VAL 162 CO -0.01 0.11 0.02 0.78 0.02 0.00 0.00 177.57 178.49 2jah h ASN 163 N 0.63 0.25 -0.09 0.57 4.21 -0.95 -0.50 115.58 119.69 2jah h ASN 163 Ca 0.38 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2jah h ASN 163 Cb 0.42 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2jah h ASN 163 CO -0.29 0.46 0.06 0.00 -1.29 0.00 0.00 177.43 176.37 2jah h ALA 164 N 0.79 0.12 -0.66 -0.83 0.00 -1.12 0.11 119.26 117.67 2jah h ALA 164 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2jah h ALA 164 Cb 0.32 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2jah h ALA 164 CO 0.00 -0.38 0.31 0.35 0.00 0.00 0.00 179.25 179.53 2jah h PHE 165 N 0.11 0.55 -0.19 0.00 3.57 -1.14 -1.41 116.94 118.42 2jah h PHE 165 Ca 0.03 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 2jah h PHE 165 Cb 0.01 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.61 2jah h PHE 165 CO -0.06 0.19 -0.72 0.77 -2.23 0.00 0.00 178.31 176.26 2jah h SER 166 N 0.54 0.96 -0.54 0.41 0.02 -0.81 -0.37 113.55 113.75 2jah h SER 166 Ca 0.32 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2jah h SER 166 Cb 0.34 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2jah h SER 166 CO -0.27 1.40 0.35 -0.08 -1.14 0.00 0.00 176.83 177.10 2jah h GLU 167 N 0.57 0.69 -0.52 3.45 4.57 -0.78 -0.78 114.58 121.78 2jah h GLU 167 Ca -0.04 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2jah h GLU 167 Cb 1.34 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2jah h GLU 167 CO 0.15 0.45 0.16 1.15 -1.18 0.00 0.00 179.01 179.75 2jah h THR 168 N 0.71 1.23 -0.49 0.32 2.02 -1.13 -2.13 112.91 113.44 2jah h THR 168 Ca 0.20 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 66.65 2jah h THR 168 Cb -0.05 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2jah h THR 168 CO -0.06 0.29 0.22 0.25 0.37 0.00 0.00 175.52 176.59 2jah h LEU 169 N 0.72 0.29 -0.44 2.58 5.85 -0.87 -1.77 115.31 121.67 2jah h LEU 169 Ca 0.17 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2jah h LEU 169 Cb 0.28 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2jah h LEU 169 CO -0.01 0.20 0.06 -0.09 -0.34 0.00 0.00 178.44 178.27 2jah h ARG 170 N 0.44 0.18 -0.73 1.25 2.43 -0.85 -0.85 114.38 116.24 2jah h ARG 170 Ca 0.22 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 2jah h ARG 170 Cb 0.17 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2jah h ARG 170 CO -0.18 0.12 0.48 1.96 -1.51 0.00 0.00 179.97 180.83 2jah h GLN 171 N 0.18 0.63 0.04 0.20 4.20 -0.71 -0.09 115.11 119.56 2jah h GLN 171 Ca 0.21 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.66 2jah h GLN 171 Cb 0.29 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2jah h GLN 171 CO -0.31 0.42 -1.02 0.93 -0.67 0.00 0.00 178.83 178.19 2jah h GLU 172 N 0.65 0.19 0.00 1.46 5.08 -0.38 -3.40 114.58 118.17 2jah h GLU 172 Ca 0.33 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2jah h GLU 172 Cb 0.44 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2jah h GLU 172 CO -0.12 1.05 -0.17 1.33 -1.00 0.00 0.00 179.01 180.11 2jah n VAL 173 N -3.56 0.00 -0.29 3.13 0.24 -0.53 -4.74 118.33 112.58 2jah n VAL 173 Ca -0.04 -0.35 0.02 0.00 -2.04 0.00 0.00 64.34 61.93 2jah n VAL 173 Cb 0.90 0.89 0.23 0.00 -1.47 0.00 0.00 33.84 34.39 2jah n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jah h THR 174 N 0.00 1.12 0.00 3.34 1.03 -1.10 -1.95 112.91 115.36 2jah h THR 174 Ca 0.00 -0.36 -0.01 0.00 -0.01 0.00 0.00 66.41 66.02 2jah h THR 174 Cb 0.00 -0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 67.05 2jah h THR 174 CO 0.00 0.19 -0.07 -0.33 -0.01 0.00 0.00 175.52 175.30 2jah h GLU 175 N 1.06 0.00 -0.50 0.00 5.08 -1.85 -0.41 114.58 117.96 2jah h GLU 175 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2jah h GLU 175 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2jah h GLU 175 CO -0.11 0.07 0.00 0.54 -1.00 0.00 0.00 179.01 178.51 2jah n ARG 176 N -3.67 2.26 -0.60 2.33 1.74 -0.75 -4.95 116.66 113.03 2jah n ARG 176 Ca -0.02 -1.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 2jah n ARG 176 Cb 0.18 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2jah n ARG 176 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jah n GLY 177 N 1.37 0.68 3.57 -0.13 0.00 -0.16 -4.79 105.19 105.73 2jah n GLY 177 Ca 0.18 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2jah n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jah s VAL 178 N -2.00 4.83 -0.01 1.61 1.01 -1.11 -3.93 120.40 120.81 2jah s VAL 178 Ca 0.00 0.61 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 2jah s VAL 178 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2jah s VAL 178 CO 0.00 -0.39 0.73 -0.13 0.00 0.00 0.00 175.10 175.31 2jah s ARG 179 N 2.85 4.46 -0.27 2.72 0.52 -0.54 -3.74 118.95 124.94 2jah s ARG 179 Ca 0.26 0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 56.39 2jah s ARG 179 Cb -0.14 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.94 2jah s ARG 179 CO 0.16 0.18 0.04 0.08 0.02 0.00 0.00 175.30 175.78 2jah s VAL 180 N 0.34 3.68 -0.10 3.52 1.01 -1.26 -0.48 120.40 127.11 2jah s VAL 180 Ca 0.38 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2jah s VAL 180 Cb -0.19 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2jah s VAL 180 CO 0.21 0.15 -0.15 -0.69 0.00 0.00 0.00 175.10 174.62 2jah s VAL 181 N 1.46 2.96 -0.17 2.92 1.01 0.23 -4.28 120.40 124.53 2jah s VAL 181 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2jah s VAL 181 Cb -0.17 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2jah s VAL 181 CO 0.00 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.79 2jah s VAL 182 N -0.05 1.88 -0.17 2.92 1.01 0.58 0.31 120.40 126.89 2jah s VAL 182 Ca -0.03 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 2jah s VAL 182 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2jah s VAL 182 CO 0.04 0.48 0.10 -0.63 0.00 0.00 0.00 175.10 175.09 2jah s ILE 183 N 1.35 5.16 -0.56 2.22 -1.09 -0.20 -1.82 121.20 126.25 2jah s ILE 183 Ca 0.04 0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.59 2jah s ILE 183 Cb -0.13 -3.30 0.15 0.00 -1.58 0.00 0.00 42.46 37.59 2jah s ILE 183 CO -0.12 0.50 0.36 -1.61 -1.23 0.00 0.00 174.94 172.84 2jah s GLU 184 N -0.08 1.90 0.34 2.79 2.02 0.44 -0.41 118.70 125.70 2jah s GLU 184 Ca 0.09 -2.72 -0.26 0.00 0.02 0.00 0.00 54.97 52.10 2jah s GLU 184 Cb -0.12 -2.93 -0.09 0.00 0.10 0.00 0.00 34.13 31.09 2jah s GLU 184 CO 0.00 -1.22 1.00 -2.14 0.02 0.00 0.00 175.26 172.93 2jah s PRO 185 N -0.57 4.46 0.00 0.39 0.02 -1.26 -1.37 135.00 136.67 2jah s PRO 185 Ca 0.22 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.71 2jah s PRO 185 Cb -0.14 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.59 2jah s PRO 185 CO -0.09 0.13 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 2jah n GLY 186 N 0.62 -0.37 3.62 0.52 0.00 0.58 -0.97 105.19 109.19 2jah n GLY 186 Ca 0.02 -1.70 -0.53 0.00 0.00 0.00 0.00 46.02 43.81 2jah n GLY 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jah n THR 187 N -0.24 0.34 -4.95 2.61 -1.04 -1.26 -4.86 114.28 104.87 2jah n THR 187 Ca 0.00 -0.12 -0.27 0.00 -2.04 0.00 0.00 64.05 61.62 2jah n THR 187 Cb 0.00 -1.49 -0.16 0.00 -1.82 0.00 0.00 70.33 66.86 2jah n THR 187 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jah s THR 188 N 4.81 1.57 -0.99 12.58 2.01 -1.26 -0.94 115.64 133.42 2jah s THR 188 Ca 1.01 -0.82 -0.23 0.00 0.31 0.00 0.00 61.69 61.95 2jah s THR 188 Cb -0.93 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 70.29 2jah s THR 188 CO 0.58 0.45 1.56 -0.62 -0.69 0.00 0.00 174.62 175.89 2jah s ASP 189 N -0.21 6.20 0.00 3.53 -1.08 0.01 -4.91 116.67 120.21 2jah s ASP 189 Ca 0.01 -1.28 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 2jah s ASP 189 Cb -0.10 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 2jah s ASP 189 CO 0.01 -1.79 0.00 0.35 0.52 0.00 0.00 175.17 174.26 2jah n THR 190 N 7.11 0.00 0.90 1.71 -2.24 -1.26 -4.54 114.28 115.96 2jah n THR 190 Ca 0.35 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 2jah n THR 190 Cb 0.50 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.29 2jah n THR 190 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jah n GLU 191 N 0.00 0.00 -0.19 -0.78 1.02 -1.26 -4.46 120.64 114.97 2jah n GLU 191 Ca 0.00 0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.17 2jah n GLU 191 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 2jah n GLU 191 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jah h LEU 192 N 0.00 -0.72 -2.06 -4.62 5.85 -1.96 -1.64 115.31 110.17 2jah h LEU 192 Ca 0.00 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2jah h LEU 192 Cb 0.45 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2jah h LEU 192 CO 0.00 -0.23 -0.07 0.08 -0.34 0.00 0.00 178.44 177.88 2jah h ARG 193 N -0.06 0.00 0.00 1.25 0.11 -1.95 -2.90 114.38 110.84 2jah h ARG 193 Ca 0.27 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.34 2jah h ARG 193 Cb 0.47 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 2jah h ARG 193 CO -0.62 0.07 -0.04 0.78 0.10 0.00 0.00 179.97 180.27 2jah h GLY 194 N 0.90 0.00 0.76 0.08 0.00 -1.61 -3.05 103.07 100.14 2jah h GLY 194 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jah h GLY 194 CO 0.01 0.00 -0.35 1.42 0.00 0.00 0.00 176.54 177.62 2jah n HIS 195 N -3.35 0.00 -1.67 5.60 8.25 -1.09 -4.90 115.22 118.06 2jah n HIS 195 Ca -0.02 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.97 2jah n HIS 195 Cb 0.17 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 2jah n HIS 195 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2jah n ILE 196 N -1.14 0.28 0.04 1.59 5.41 -1.16 -4.88 119.36 119.51 2jah n ILE 196 Ca 0.09 -0.05 0.08 0.00 1.00 0.00 0.00 62.75 63.87 2jah n ILE 196 Cb 0.34 -1.68 -0.09 0.00 -0.71 0.00 0.00 39.64 37.50 2jah n ILE 196 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2jah n THR 197 N 4.24 0.54 -2.71 1.39 -2.24 -1.26 -4.72 114.28 109.52 2jah n THR 197 Ca 0.20 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 2jah n THR 197 Cb 0.29 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 2jah n THR 197 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2jah s HIS 198 N -3.29 2.63 0.17 4.78 5.65 -1.26 -4.93 115.29 119.04 2jah s HIS 198 Ca -0.04 0.05 -0.14 0.00 0.25 0.00 0.00 55.06 55.17 2jah s HIS 198 Cb 0.11 -4.33 0.06 0.00 -1.18 0.00 0.00 32.58 27.24 2jah s HIS 198 CO 0.84 -1.58 1.83 1.15 -0.65 0.00 0.00 174.74 176.33 2jah h THR 199 N 6.06 1.14 -0.74 0.89 2.02 -1.92 -0.93 112.91 119.43 2jah h THR 199 Ca -0.26 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2jah h THR 199 Cb 1.06 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2jah h THR 199 CO 1.16 0.14 0.42 0.00 0.37 0.00 0.00 175.52 177.61 2jah h ALA 200 N 1.18 1.34 -0.19 6.16 0.00 -1.98 -2.07 119.26 123.71 2jah h ALA 200 Ca 0.19 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2jah h ALA 200 Cb -0.07 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.43 2jah h ALA 200 CO -0.04 0.55 -0.71 1.15 0.00 0.00 0.00 179.25 180.20 2jah h THR 201 N 1.03 1.28 -0.44 0.00 2.02 -1.72 -3.20 112.91 111.88 2jah h THR 201 Ca 0.26 -1.90 0.07 0.00 0.77 0.00 0.00 66.41 65.61 2jah h THR 201 Cb 0.00 1.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 2jah h THR 201 CO -0.04 0.61 0.11 0.50 0.37 0.00 0.00 175.52 177.06 2jah h LYS 202 N 0.56 0.25 -0.20 6.66 3.64 -0.93 0.50 116.57 127.04 2jah h LYS 202 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jah h LYS 202 Cb 1.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2jah h LYS 202 CO 0.15 0.16 0.00 -1.91 -2.27 0.00 0.00 179.45 175.58 2jah n GLU 203 N -5.07 0.00 0.00 1.90 2.13 -0.80 -1.20 120.64 117.60 2jah n GLU 203 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2jah n GLU 203 Cb 0.20 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.86 2jah n GLU 203 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2jah n TYR 205 N 0.54 0.00 -0.33 4.31 9.36 0.16 -1.97 117.16 129.24 2jah n TYR 205 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 2jah n TYR 205 Cb 0.00 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.91 2jah n TYR 205 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2jah h GLU 206 N 0.00 0.90 -0.41 2.98 4.39 -1.40 -1.34 114.58 119.69 2jah h GLU 206 Ca 0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2jah h GLU 206 Cb 0.00 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 2jah h GLU 206 CO 0.00 0.60 0.04 0.37 -1.16 0.00 0.00 179.01 178.86 2jah h GLN 207 N 0.93 0.70 -0.34 2.33 5.75 -1.65 -2.91 115.11 119.93 2jah h GLN 207 Ca 0.44 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 2jah h GLN 207 Cb 0.39 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2jah h GLN 207 CO -0.24 0.76 0.22 -0.09 -2.65 0.00 0.00 178.83 176.83 2jah h ARG 208 N 0.55 0.43 -0.40 1.69 2.43 -1.54 -2.73 114.38 114.81 2jah h ARG 208 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2jah h ARG 208 Cb 0.42 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2jah h ARG 208 CO 0.01 0.28 0.00 0.44 -1.51 0.00 0.00 179.97 179.20 2jah n ILE 209 N -4.49 0.60 0.54 1.20 -5.35 -0.89 -4.60 119.36 106.38 2jah n ILE 209 Ca 0.02 -0.80 0.13 0.00 -0.27 0.00 0.00 62.75 61.83 2jah n ILE 209 Cb 0.08 0.87 0.42 0.00 -1.74 0.00 0.00 39.64 39.26 2jah n ILE 209 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2jah h SER 210 N 3.89 0.00 0.43 7.28 4.64 -1.28 -3.28 113.55 125.24 2jah h SER 210 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jah h SER 210 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2jah h SER 210 CO 0.00 0.00 -1.45 0.00 -0.87 0.00 0.00 176.83 174.51 2jah n GLN 211 N -2.34 0.56 -3.07 4.77 1.13 -1.26 -4.99 117.38 112.18 2jah n GLN 211 Ca 0.05 -0.04 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 2jah n GLN 211 Cb 0.39 -1.64 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 2jah n GLN 211 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2jah s ILE 212 N -3.40 4.97 -0.38 5.09 -4.36 -1.24 -5.04 121.20 116.85 2jah s ILE 212 Ca -0.03 0.07 -0.29 0.00 -0.26 0.00 0.00 60.65 60.14 2jah s ILE 212 Cb 0.12 -3.80 0.02 0.00 1.25 0.00 0.00 42.46 40.05 2jah s ILE 212 CO 0.85 -0.55 1.19 -0.13 0.24 0.00 0.00 174.94 176.53 2jah s ARG 213 N -4.10 3.86 0.62 0.37 0.52 -1.26 -5.03 118.95 113.93 2jah s ARG 213 Ca 0.45 0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 56.44 2jah s ARG 213 Cb -0.10 -3.86 -0.02 0.00 0.52 0.00 0.00 34.95 31.49 2jah s ARG 213 CO 0.36 -1.19 1.06 0.15 0.02 0.00 0.00 175.30 175.70 2jah s LYS 214 N 4.19 3.17 0.72 3.54 1.02 -1.26 -4.69 119.74 126.44 2jah s LYS 214 Ca 0.51 1.17 -0.15 0.00 0.02 0.00 0.00 55.97 57.52 2jah s LYS 214 Cb -0.12 -2.01 0.04 0.00 -0.52 0.00 0.00 37.83 35.22 2jah s LYS 214 CO 0.25 -0.93 1.20 -0.51 -0.92 0.00 0.00 175.35 174.43 2jah s LEU 215 N -4.77 3.32 0.12 3.17 1.43 -0.11 -4.81 118.68 117.02 2jah s LEU 215 Ca 0.63 2.31 0.04 0.00 -1.03 0.00 0.00 54.13 56.08 2jah s LEU 215 Cb -0.16 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.44 2jah s LEU 215 CO 0.41 -2.20 0.08 -1.10 0.23 0.00 0.00 176.35 173.77 2jah s GLN 216 N -3.94 2.78 0.28 1.70 -1.52 -1.26 -0.81 119.66 116.88 2jah s GLN 216 Ca 0.73 -0.82 0.02 0.00 -1.95 0.00 0.00 55.36 53.34 2jah s GLN 216 Cb -0.28 -2.63 0.64 0.00 -0.22 0.00 0.00 33.01 30.52 2jah s GLN 216 CO 0.45 0.52 1.74 0.00 -0.25 0.00 0.00 175.29 177.75 2jah h ALA 217 N 2.97 1.40 -0.23 6.09 0.00 -1.90 -0.98 119.26 126.62 2jah h ALA 217 Ca -0.47 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2jah h ALA 217 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2jah h ALA 217 CO 0.63 -0.18 0.11 -0.56 0.00 0.00 0.00 179.25 179.25 2jah h GLN 218 N 0.56 0.31 -0.64 0.00 3.07 -1.92 -0.78 115.11 115.70 2jah h GLN 218 Ca 0.52 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 59.20 2jah h GLN 218 Cb 0.84 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 28.31 2jah h GLN 218 CO -0.43 0.24 0.28 -0.44 0.09 0.00 0.00 178.83 178.57 2jah h ASP 219 N 0.31 0.87 -0.20 0.06 3.32 -1.58 -1.17 116.42 118.04 2jah h ASP 219 Ca 0.08 -0.16 -0.20 0.00 0.02 0.00 0.00 57.03 56.77 2jah h ASP 219 Cb 0.03 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2jah h ASP 219 CO -0.01 0.79 -0.65 0.40 -1.72 0.00 0.00 179.24 178.05 2jah h ILE 220 N 0.90 1.28 -0.93 0.35 1.08 -1.19 -2.28 117.51 116.71 2jah h ILE 220 Ca 0.22 -1.84 0.12 0.00 -0.39 0.00 0.00 64.86 62.96 2jah h ILE 220 Cb 0.17 1.79 -0.08 0.00 -3.07 0.00 0.00 36.82 35.62 2jah h ILE 220 CO -0.02 0.59 0.57 0.00 -0.69 0.00 0.00 178.15 178.60 2jah h ALA 221 N 0.66 1.39 -0.48 1.87 0.00 -1.05 -1.19 119.26 120.46 2jah h ALA 221 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2jah h ALA 221 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2jah h ALA 221 CO 0.14 0.16 -0.04 1.49 0.00 0.00 0.00 179.25 181.00 2jah h GLU 222 N 0.90 0.82 -0.56 0.00 4.57 -0.94 0.10 114.58 119.48 2jah h GLU 222 Ca 0.46 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2jah h GLU 222 Cb 0.47 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2jah h GLU 222 CO -0.27 0.85 0.35 0.00 -1.18 0.00 0.00 179.01 178.76 2jah h ALA 223 N 1.20 0.71 -0.04 2.92 0.00 -0.75 -0.11 119.26 123.19 2jah h ALA 223 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jah h ALA 223 Cb 0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jah h ALA 223 CO 0.03 0.17 0.02 0.28 0.00 0.00 0.00 179.25 179.75 2jah h VAL 224 N 0.75 1.09 -0.62 0.00 2.07 -0.82 -1.59 116.25 117.13 2jah h VAL 224 Ca 0.20 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2jah h VAL 224 Cb -0.05 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2jah h VAL 224 CO -0.04 0.07 0.29 -0.09 0.02 0.00 0.00 177.57 177.83 2jah h ARG 225 N -0.03 0.52 -0.11 1.57 2.43 -0.59 -0.51 114.38 117.66 2jah h ARG 225 Ca 0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2jah h ARG 225 Cb 0.10 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2jah h ARG 225 CO -0.00 0.34 0.07 -0.92 -1.51 0.00 0.00 179.97 177.95 2jah h TYR 226 N 0.53 0.14 -0.27 2.20 3.20 -0.82 -1.33 116.97 120.62 2jah h TYR 226 Ca 0.30 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2jah h TYR 226 Cb 0.28 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2jah h TYR 226 CO -0.12 0.12 0.16 0.00 -1.64 0.00 0.00 178.16 176.68 2jah h ALA 227 N 1.01 0.34 0.00 1.82 0.00 -0.79 -2.75 119.26 118.89 2jah h ALA 227 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2jah h ALA 227 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jah h ALA 227 CO -0.01 -0.22 -0.28 -0.39 0.00 0.00 0.00 179.25 178.35 2jah h VAL 228 N 0.33 0.52 -0.01 0.00 -1.51 -1.00 -2.88 116.25 111.70 2jah h VAL 228 Ca 0.11 -1.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 2jah h VAL 228 Cb -0.01 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2jah h VAL 228 CO -0.05 0.28 -0.11 0.35 -1.23 0.00 0.00 177.57 176.81 2jah n THR 229 N -3.22 0.00 -1.66 7.19 -2.24 -0.51 -4.91 114.28 108.93 2jah n THR 229 Ca 0.02 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 2jah n THR 229 Cb 0.59 0.51 0.07 0.00 -2.10 0.00 0.00 70.33 69.41 2jah n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jah s ALA 230 N -2.21 2.30 0.72 6.98 0.00 -1.04 -4.96 121.76 123.55 2jah s ALA 230 Ca 0.32 1.01 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 2jah s ALA 230 Cb 0.20 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.86 2jah s ALA 230 CO 0.41 -1.62 1.21 -1.25 0.00 0.00 0.00 175.76 174.51 2jah s PRO 231 N -3.61 2.22 0.42 0.00 0.04 -1.26 -4.88 135.00 127.92 2jah s PRO 231 Ca 0.78 1.76 0.15 0.00 0.04 0.00 0.00 61.00 63.72 2jah s PRO 231 Cb -0.32 -1.84 1.02 0.00 0.04 0.00 0.00 34.50 33.40 2jah s PRO 231 CO 0.41 -1.78 1.92 1.25 0.04 0.00 0.00 177.00 178.84 2jah h HIS 232 N -0.20 0.52 0.00 0.56 2.76 -1.95 -0.56 115.15 116.28 2jah h HIS 232 Ca -0.48 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2jah h HIS 232 Cb 1.30 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2jah h HIS 232 CO 0.47 0.20 0.00 -2.39 -1.30 0.00 0.00 177.93 174.91 2jah n HIS 233 N -4.49 0.00 -3.97 5.26 1.44 -1.26 -4.57 115.22 107.63 2jah n HIS 233 Ca 0.14 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.51 2jah n HIS 233 Cb 0.51 -0.37 -0.14 0.00 0.12 0.00 0.00 29.99 30.11 2jah n HIS 233 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jah s ALA 234 N -2.74 2.83 -0.35 1.59 0.00 -0.22 -5.08 121.76 117.79 2jah s ALA 234 Ca 0.12 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2jah s ALA 234 Cb 0.11 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.56 2jah s ALA 234 CO 0.27 -0.36 0.16 0.99 0.00 0.00 0.00 175.76 176.82 2jah s THR 235 N 1.36 4.37 -0.95 0.00 2.01 -1.26 -4.68 115.64 116.49 2jah s THR 235 Ca 0.04 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 2jah s THR 235 Cb -0.14 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.08 2jah s THR 235 CO -0.02 -0.12 1.26 -0.69 -0.69 0.00 0.00 174.62 174.35 2jah s VAL 236 N 1.53 4.34 0.23 3.82 1.01 -1.26 -4.83 120.40 125.25 2jah s VAL 236 Ca 0.02 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 60.95 2jah s VAL 236 Cb -0.19 -4.89 -0.07 0.00 0.00 0.00 0.00 36.38 31.23 2jah s VAL 236 CO 0.05 -1.69 1.53 -0.74 0.00 0.00 0.00 175.10 174.25 2jah h HIS 237 N 9.31 0.13 -3.39 5.22 2.76 -1.91 -3.37 115.15 123.90 2jah h HIS 237 Ca 0.14 -0.06 -0.24 0.00 -2.20 0.00 0.00 60.37 58.01 2jah h HIS 237 Cb 1.02 -0.02 -0.31 0.00 1.55 0.00 0.00 27.41 29.66 2jah h HIS 237 CO 1.20 0.75 -0.63 -1.21 -1.30 0.00 0.00 177.93 176.75 2jah s GLU 238 N -3.51 0.07 -0.16 5.26 2.02 -1.26 -0.31 118.70 120.83 2jah s GLU 238 Ca -0.02 0.26 -0.00 0.00 0.02 0.00 0.00 54.97 55.22 2jah s GLU 238 Cb 0.12 -0.12 0.04 0.00 0.10 0.00 0.00 34.13 34.27 2jah s GLU 238 CO 0.79 -0.12 -0.06 0.42 0.02 0.00 0.00 175.26 176.31 2jah s ILE 239 N 0.80 1.11 -0.37 -1.63 1.01 -0.76 -4.98 121.20 116.39 2jah s ILE 239 Ca -0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 2jah s ILE 239 Cb -0.08 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.17 2jah s ILE 239 CO -0.03 0.17 0.18 0.12 0.00 0.00 0.00 174.94 175.38 2jah s PHE 240 N 1.64 3.26 -0.18 3.97 5.36 -1.26 -0.42 117.98 130.35 2jah s PHE 240 Ca 0.01 -1.18 0.01 0.00 -0.96 0.00 0.00 56.93 54.81 2jah s PHE 240 Cb -0.15 -2.45 0.02 0.00 -0.34 0.00 0.00 43.02 40.10 2jah s PHE 240 CO -0.08 -0.70 -0.19 -1.50 -1.46 0.00 0.00 175.22 171.29 2jah s ILE 241 N 1.49 2.13 0.11 3.12 2.07 -0.47 -5.00 121.20 124.65 2jah s ILE 241 Ca 0.01 -0.92 0.09 0.00 -1.41 0.00 0.00 60.65 58.42 2jah s ILE 241 Cb -0.20 -1.89 -0.04 0.00 0.13 0.00 0.00 42.46 40.46 2jah s ILE 241 CO 0.05 0.54 -0.18 -0.13 -1.91 0.00 0.00 174.94 173.31 2jah s ARG 242 N 1.24 1.81 0.16 3.50 0.52 -1.26 -0.31 118.95 124.62 2jah s ARG 242 Ca 0.04 -1.16 -0.32 0.00 -0.52 0.00 0.00 55.73 53.77 2jah s ARG 242 Cb -0.13 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.11 2jah s ARG 242 CO -0.11 0.48 1.58 -2.14 0.02 0.00 0.00 175.30 175.14 2jah s PRO 243 N -2.12 4.21 0.47 3.54 0.02 -1.26 -4.89 135.00 134.97 2jah s PRO 243 Ca 0.18 2.37 0.14 0.00 0.02 0.00 0.00 61.00 63.71 2jah s PRO 243 Cb -0.11 -3.19 1.10 0.00 0.02 0.00 0.00 34.50 32.32 2jah s PRO 243 CO 0.10 -0.62 2.07 1.15 -0.33 0.00 0.00 177.00 179.36 2jah h THR 244 N 4.07 0.98 0.00 0.99 2.02 -1.99 -2.12 112.91 116.86 2jah h THR 244 Ca -0.43 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2jah h THR 244 Cb 1.20 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2jah h THR 244 CO 0.92 0.05 0.00 0.47 0.37 0.00 0.00 175.52 177.33 2jah n ASP 245 N -4.49 0.16 -4.31 4.18 8.00 -1.26 -4.78 116.55 114.06 2jah n ASP 245 Ca 0.03 0.53 -0.36 0.00 0.71 0.00 0.00 54.79 55.69 2jah n ASP 245 Cb 0.20 -0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 2jah n ASP 245 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2jah s GLN 246 N -3.04 3.05 0.00 -1.24 0.74 -0.80 -4.92 119.66 113.44 2jah s GLN 246 Ca 0.10 -0.87 0.13 0.00 0.05 0.00 0.00 55.36 54.77 2jah s GLN 246 Cb 0.14 -3.27 0.80 0.00 1.10 0.00 0.00 33.01 31.78 2jah s GLN 246 CO 0.43 -0.42 1.22 0.28 -0.55 0.00 0.00 175.29 176.25