#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jah s SER 3 N 0.00 3.45 0.59 2.55 0.01 -1.26 -4.72 113.70 114.32 2jah s SER 3 Ca 0.00 -2.72 0.37 0.00 1.31 0.00 0.00 55.95 54.91 2jah s SER 3 Cb 0.00 -0.95 1.77 0.00 0.21 0.00 0.00 66.02 67.04 2jah s SER 3 CO 0.00 -0.25 2.14 0.00 0.41 0.00 0.00 173.24 175.54 2jah h ALA 4 N 6.55 1.02 0.00 1.44 0.00 -1.87 -3.04 119.26 123.35 2jah h ALA 4 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jah h ALA 4 Cb 0.92 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2jah h ALA 4 CO 0.47 0.02 -0.35 1.28 0.00 0.00 0.00 179.25 180.66 2jah n LEU 5 N -3.14 2.46 -4.68 0.00 4.77 -0.02 -5.03 117.00 111.36 2jah n LEU 5 Ca -0.01 -3.49 -0.45 0.00 -0.03 0.00 0.00 56.01 52.03 2jah n LEU 5 Cb 0.22 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 2jah n LEU 5 CO 0.25 1.11 1.35 1.67 -1.33 0.00 0.00 177.39 180.44 2jah n GLN 6 N -1.14 2.43 0.00 3.23 -0.06 -1.11 -1.69 117.38 119.04 2jah n GLN 6 Ca 0.17 0.88 0.00 0.00 -2.00 0.00 0.00 57.00 56.05 2jah n GLN 6 Cb 0.69 -2.71 0.00 0.00 -4.06 0.00 0.00 30.24 24.16 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 3.89 1.66 3.88 1.69 0.00 -1.21 -4.97 105.19 110.13 2jah n GLY 7 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.51 3.72 -0.17 1.61 -0.14 -0.68 -4.90 119.74 118.68 2jah s LYS 8 Ca 0.00 0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 55.06 2jah s LYS 8 Cb 0.00 -2.35 -0.00 0.00 -1.68 0.00 0.00 37.83 33.80 2jah s LYS 8 CO 0.00 -0.13 -0.13 0.08 -0.76 0.00 0.00 175.35 174.41 2jah s VAL 9 N -2.53 2.87 -0.09 3.17 1.01 -1.26 -0.86 120.40 122.70 2jah s VAL 9 Ca 0.51 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2jah s VAL 9 Cb -0.10 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2jah s VAL 9 CO 0.36 0.50 -0.18 0.00 0.00 0.00 0.00 175.10 175.78 2jah s ALA 10 N 0.91 2.45 -0.21 5.51 0.00 0.18 -0.86 121.76 129.74 2jah s ALA 10 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 2jah s ALA 10 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2jah s ALA 10 CO -0.01 0.36 -0.01 -1.17 0.00 0.00 0.00 175.76 174.93 2jah s LEU 11 N 0.01 3.14 -0.22 0.00 2.96 -0.22 -0.23 118.68 124.12 2jah s LEU 11 Ca -0.06 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2jah s LEU 11 Cb -0.15 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.78 2jah s LEU 11 CO 0.05 0.03 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.34 2jah s ILE 12 N 1.22 1.98 0.40 6.68 1.09 -0.16 -0.27 121.20 132.14 2jah s ILE 12 Ca 0.03 -1.24 -0.11 0.00 -1.10 0.00 0.00 60.65 58.23 2jah s ILE 12 Cb -0.15 -1.99 -0.07 0.00 -1.06 0.00 0.00 42.46 39.20 2jah s ILE 12 CO 0.01 0.20 0.77 0.42 -0.10 0.00 0.00 174.94 176.24 2jah s THR 13 N 1.25 4.77 -0.93 2.92 -4.23 -0.50 -1.44 115.64 117.48 2jah s THR 13 Ca -0.03 0.67 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 2jah s THR 13 Cb -0.17 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 69.96 2jah s THR 13 CO -0.08 -0.49 0.80 0.61 -0.54 0.00 0.00 174.62 174.91 2jah n GLY 14 N -1.22 -0.10 0.27 3.99 0.00 0.90 -2.74 105.19 106.29 2jah n GLY 14 Ca 0.03 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.04 2.94 0.31 4.61 0.00 -0.45 -3.69 120.51 120.19 2jah n ALA 15 Ca -0.03 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.15 2jah n ALA 15 Cb 0.56 -1.17 0.31 0.00 0.00 0.00 0.00 19.45 19.14 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 1.31 0.00 -5.05 0.00 4.64 -1.90 -3.16 113.55 109.39 2jah h SER 16 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2jah h SER 16 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2jah h SER 16 CO 0.00 0.00 0.23 -0.94 -0.87 0.00 0.00 176.83 175.25 2jah s SER 17 N -5.75 0.07 0.86 4.97 1.04 -1.26 -4.78 113.70 108.85 2jah s SER 17 Ca 0.07 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.34 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 0.63 -1.64 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2jah n GLY 18 N -0.53 2.56 0.30 7.32 0.00 -1.26 -2.48 105.19 111.10 2jah n GLY 18 Ca -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 1.04 -0.65 -0.61 2.04 -1.88 -2.50 117.51 114.95 2jah h ILE 19 Ca 0.00 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2jah h ILE 19 Cb 0.00 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 2jah h ILE 19 CO 0.00 0.16 0.25 1.23 0.00 0.00 0.00 178.15 179.79 2jah h GLY 20 N 0.89 1.06 0.96 5.37 0.00 -1.62 0.72 103.07 110.44 2jah h GLY 20 Ca 0.34 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2jah h GLY 20 CO -0.16 0.56 -0.15 -2.09 0.00 0.00 0.00 176.54 174.70 2jah h GLU 21 N 0.93 -0.38 -0.72 4.80 4.81 -1.31 -0.47 114.58 122.24 2jah h GLU 21 Ca 0.22 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2jah h GLU 21 Cb 0.23 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2jah h GLU 21 CO -0.01 -0.25 0.47 0.00 -0.73 0.00 0.00 179.01 178.48 2jah h ALA 22 N 0.33 1.47 -0.16 2.92 0.00 -1.27 -1.58 119.26 120.97 2jah h ALA 22 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jah h ALA 22 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jah h ALA 22 CO 0.04 0.49 0.02 1.15 0.00 0.00 0.00 179.25 180.94 2jah h THR 23 N 0.98 1.23 -0.61 0.00 2.02 -0.67 -0.38 112.91 115.49 2jah h THR 23 Ca 0.26 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.76 2jah h THR 23 Cb -0.09 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 2jah h THR 23 CO -0.05 0.23 0.26 0.00 0.37 0.00 0.00 175.52 176.32 2jah h ALA 24 N 0.80 0.79 -0.44 6.16 0.00 -0.78 0.49 119.26 126.27 2jah h ALA 24 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jah h ALA 24 Cb 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jah h ALA 24 CO 0.01 -0.14 0.24 0.00 0.00 0.00 0.00 179.25 179.35 2jah h ARG 25 N 0.47 0.62 -0.52 0.00 3.08 -1.10 -1.09 114.38 115.84 2jah h ARG 25 Ca 0.30 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2jah h ARG 25 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2jah h ARG 25 CO -0.27 0.50 0.17 0.00 -1.07 0.00 0.00 179.97 179.30 2jah h ALA 26 N 1.09 0.68 -0.31 0.04 0.00 -0.36 -0.77 119.26 119.62 2jah h ALA 26 Ca 0.15 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2jah h ALA 26 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jah h ALA 26 CO -0.02 0.33 -0.20 -0.07 0.00 0.00 0.00 179.25 179.29 2jah h LEU 27 N 0.71 0.72 -0.57 0.00 3.38 -0.83 -2.63 115.31 116.09 2jah h LEU 27 Ca 0.17 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.77 2jah h LEU 27 Cb 0.27 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2jah h LEU 27 CO -0.01 0.99 0.25 0.00 0.09 0.00 0.00 178.44 179.77 2jah h ALA 28 N 0.75 0.73 -0.16 1.53 0.00 -1.10 -1.13 119.26 119.88 2jah h ALA 28 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2jah h ALA 28 Cb 0.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2jah h ALA 28 CO 0.06 -0.13 0.13 0.00 0.00 0.00 0.00 179.25 179.31 2jah h ALA 29 N 1.35 2.01 -0.05 0.00 0.00 -0.99 0.16 119.26 121.74 2jah h ALA 29 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jah h ALA 29 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jah h ALA 29 CO -0.23 -0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.20 2jah n GLU 30 N -4.25 1.27 -0.54 0.00 -0.58 -0.48 -4.77 120.64 111.29 2jah n GLU 30 Ca 0.01 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 2jah n GLU 30 Cb 0.26 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.96 0.73 3.75 0.62 0.00 0.58 -0.84 105.19 110.99 2jah n GLY 31 Ca 0.17 -0.01 -0.40 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 -2.00 3.40 0.20 4.61 0.00 -0.88 -3.29 121.76 123.81 2jah s ALA 32 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 2jah s ALA 32 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 2jah s ALA 32 CO 0.00 -0.15 1.23 0.00 0.00 0.00 0.00 175.76 176.84 2jah s ALA 33 N -0.95 3.46 -0.15 0.00 0.00 -0.04 -4.15 121.76 119.93 2jah s ALA 33 Ca 0.45 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.43 2jah s ALA 33 Cb -0.31 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.38 2jah s ALA 33 CO 0.39 -0.42 -0.18 0.14 0.00 0.00 0.00 175.76 175.69 2jah s VAL 34 N -0.15 2.37 -0.26 0.00 -7.23 -0.05 -0.64 120.40 114.44 2jah s VAL 34 Ca 0.53 -0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 59.69 2jah s VAL 34 Cb -0.34 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2jah s VAL 34 CO 0.38 0.53 0.36 0.00 -0.31 0.00 0.00 175.10 176.07 2jah s ALA 35 N 0.89 3.56 -0.21 1.32 0.00 0.68 -0.91 121.76 127.08 2jah s ALA 35 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 2jah s ALA 35 Cb -0.15 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 2jah s ALA 35 CO -0.02 -0.60 -0.06 0.96 0.00 0.00 0.00 175.76 176.04 2jah s ILE 36 N 1.95 3.27 -0.04 0.00 -4.36 -0.17 -0.98 121.20 120.87 2jah s ILE 36 Ca 0.15 -0.53 0.06 0.00 -0.26 0.00 0.00 60.65 60.07 2jah s ILE 36 Cb -0.16 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.06 2jah s ILE 36 CO 0.10 0.44 -0.22 0.00 0.24 0.00 0.00 174.94 175.49 2jah s ALA 37 N 1.41 1.91 -0.03 2.27 0.00 -0.52 -0.76 121.76 126.05 2jah s ALA 37 Ca 0.05 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 2jah s ALA 37 Cb -0.14 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.50 2jah s ALA 37 CO -0.04 0.41 0.96 0.00 0.00 0.00 0.00 175.76 177.09 2jah n ALA 38 N 2.79 -2.72 -0.01 0.00 0.00 -1.04 -0.07 120.51 119.46 2jah n ALA 38 Ca -0.17 -0.58 -0.11 0.00 0.00 0.00 0.00 53.44 52.59 2jah n ALA 38 Cb 0.52 0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 2jah n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jah h ARG 39 N 0.00 0.06 -5.67 0.00 3.08 -1.85 0.53 114.38 110.52 2jah h ARG 39 Ca -0.15 -0.10 -0.65 0.00 0.07 0.00 0.00 59.98 59.15 2jah h ARG 39 Cb 0.86 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.83 2jah h ARG 39 CO 0.22 0.67 1.48 1.03 -1.07 0.00 0.00 179.97 182.30 2jah s ARG 40 N -2.60 3.73 0.36 0.04 0.52 -1.26 -4.84 118.95 114.89 2jah s ARG 40 Ca -0.08 -1.60 0.03 0.00 -0.52 0.00 0.00 55.73 53.56 2jah s ARG 40 Cb 0.08 -5.27 0.66 0.00 0.52 0.00 0.00 34.95 30.94 2jah s ARG 40 CO 0.82 -2.08 2.01 0.28 0.02 0.00 0.00 175.30 176.35 2jah h VAL 41 N 6.11 1.16 -0.72 3.52 2.07 -1.96 -1.99 116.25 124.44 2jah h VAL 41 Ca 0.25 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2jah h VAL 41 Cb 0.97 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2jah h VAL 41 CO 1.34 0.16 0.40 -0.33 0.02 0.00 0.00 177.57 179.15 2jah h GLU 42 N 0.82 0.68 -0.09 1.57 3.07 -1.99 0.33 114.58 118.98 2jah h GLU 42 Ca 0.22 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 2jah h GLU 42 Cb -0.08 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.67 2jah h GLU 42 CO -0.05 0.45 0.03 0.87 -1.40 0.00 0.00 179.01 178.92 2jah h LYS 43 N 0.70 0.13 -0.51 2.33 1.79 -1.73 -2.48 116.57 116.80 2jah h LYS 43 Ca 0.33 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.82 2jah h LYS 43 Cb 0.26 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 2jah h LYS 43 CO -0.21 0.26 0.27 -0.07 -1.08 0.00 0.00 179.45 178.61 2jah h LEU 44 N -0.02 0.39 -0.63 2.94 3.38 -0.86 -1.13 115.31 119.38 2jah h LEU 44 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jah h LEU 44 Cb 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2jah h LEU 44 CO -0.00 0.27 0.38 0.03 0.09 0.00 0.00 178.44 179.21 2jah h ARG 45 N 0.52 0.85 -0.71 1.13 3.08 -0.36 0.40 114.38 119.28 2jah h ARG 45 Ca 0.22 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2jah h ARG 45 Cb 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2jah h ARG 45 CO -0.14 0.61 0.34 0.00 -1.07 0.00 0.00 179.97 179.70 2jah h ALA 46 N 1.19 0.92 -0.21 0.04 0.00 -1.13 0.12 119.26 120.20 2jah h ALA 46 Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jah h ALA 46 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jah h ALA 46 CO -0.04 0.49 -0.04 1.25 0.00 0.00 0.00 179.25 180.90 2jah h LEU 47 N 1.00 0.40 -0.32 0.00 5.85 -0.82 -2.31 115.31 119.12 2jah h LEU 47 Ca 0.24 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2jah h LEU 47 Cb 0.13 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2jah h LEU 47 CO -0.03 0.67 0.00 1.23 -0.34 0.00 0.00 178.44 179.97 2jah h GLY 48 N 0.12 0.31 0.63 3.75 0.00 0.06 0.74 103.07 108.68 2jah h GLY 48 Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2jah h GLY 48 CO 0.02 -0.07 0.14 -0.55 0.00 0.00 0.00 176.54 176.09 2jah h ASP 49 N 0.09 0.15 -0.07 0.19 3.32 -0.78 0.38 116.42 119.71 2jah h ASP 49 Ca 0.15 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.27 2jah h ASP 49 Cb 0.20 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2jah h ASP 49 CO -0.25 0.12 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.26 2jah h GLU 50 N 0.31 -0.05 -0.27 3.56 4.81 -0.85 -0.55 114.58 121.53 2jah h GLU 50 Ca 0.19 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2jah h GLU 50 Cb 0.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2jah h GLU 50 CO -0.20 -0.03 0.07 -0.07 -0.73 0.00 0.00 179.01 178.05 2jah h LEU 51 N -0.05 0.41 -0.95 1.64 3.38 -0.46 -2.72 115.31 116.57 2jah h LEU 51 Ca 0.04 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.86 2jah h LEU 51 Cb 0.11 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2jah h LEU 51 CO -0.10 0.53 0.60 0.74 0.09 0.00 0.00 178.44 180.30 2jah h THR 52 N 0.27 1.04 0.00 0.22 2.02 -0.18 -1.25 112.91 115.03 2jah h THR 52 Ca 0.09 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2jah h THR 52 Cb 0.28 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2jah h THR 52 CO 0.00 0.19 -0.16 0.00 0.37 0.00 0.00 175.52 175.93 2jah h ALA 53 N 1.45 1.53 -0.34 6.16 0.00 -0.83 -1.08 119.26 126.15 2jah h ALA 53 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jah h ALA 53 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jah h ALA 53 CO -0.19 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2jah n ALA 54 N -2.41 2.46 -0.33 0.00 0.00 -0.80 -4.92 120.51 114.49 2jah n ALA 54 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2jah n ALA 54 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.14 0.81 3.84 0.00 0.00 -0.41 -5.08 105.19 105.50 2jah n GLY 55 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.08 3.01 -0.26 4.61 0.00 -0.54 -4.99 121.76 121.52 2jah s ALA 56 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 2jah s ALA 56 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2jah s ALA 56 CO 0.00 -0.49 0.15 0.21 0.00 0.00 0.00 175.76 175.63 2jah s LYS 57 N -4.42 3.91 -0.01 0.00 2.20 -1.26 -4.18 119.74 115.99 2jah s LYS 57 Ca 0.58 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2jah s LYS 57 Cb -0.11 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2jah s LYS 57 CO 0.39 -0.11 -0.11 0.08 -0.36 0.00 0.00 175.35 175.24 2jah s VAL 58 N 1.51 0.90 -0.18 4.02 1.01 -1.26 -0.87 120.40 125.54 2jah s VAL 58 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2jah s VAL 58 Cb -0.15 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.51 2jah s VAL 58 CO 0.08 0.26 -0.10 -2.28 0.00 0.00 0.00 175.10 173.05 2jah s HIS 59 N -0.25 2.20 -0.12 5.22 5.04 -0.09 -4.98 115.29 122.30 2jah s HIS 59 Ca 0.04 -1.39 -0.22 0.00 -1.54 0.00 0.00 55.06 51.95 2jah s HIS 59 Cb -0.05 -1.55 -0.03 0.00 0.04 0.00 0.00 32.58 30.99 2jah s HIS 59 CO -0.00 -0.70 0.68 0.08 -2.34 0.00 0.00 174.74 172.46 2jah s VAL 60 N 1.47 5.03 -0.26 0.89 1.01 -1.26 -1.00 120.40 126.28 2jah s VAL 60 Ca 0.01 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.36 2jah s VAL 60 Cb -0.15 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.29 2jah s VAL 60 CO -0.09 0.18 -0.08 -0.76 0.00 0.00 0.00 175.10 174.36 2jah s LEU 61 N 1.31 3.28 -0.29 3.92 1.43 0.06 -4.94 118.68 123.45 2jah s LEU 61 Ca 0.34 -1.39 -0.29 0.00 -1.03 0.00 0.00 54.13 51.76 2jah s LEU 61 Cb -0.17 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 2jah s LEU 61 CO 0.14 -0.22 1.34 -0.70 0.23 0.00 0.00 176.35 177.14 2jah s GLU 62 N 1.17 3.90 -0.15 1.70 2.12 -1.26 -2.49 118.70 123.69 2jah s GLU 62 Ca -0.07 1.29 -0.11 0.00 0.36 0.00 0.00 54.97 56.44 2jah s GLU 62 Cb -0.20 -3.90 0.05 0.00 0.26 0.00 0.00 34.13 30.34 2jah s GLU 62 CO -0.06 -1.15 0.38 -1.17 -0.54 0.00 0.00 175.26 172.73 2jah s LEU 63 N 4.48 0.28 -0.33 2.70 2.96 0.18 -4.92 118.68 124.02 2jah s LEU 63 Ca 0.58 0.80 -0.12 0.00 -0.22 0.00 0.00 54.13 55.17 2jah s LEU 63 Cb -0.18 1.28 -0.02 0.00 0.50 0.00 0.00 46.19 47.78 2jah s LEU 63 CO 0.24 -0.16 0.21 -0.62 -1.32 0.00 0.00 176.35 174.70 2jah s ASP 64 N 0.76 5.89 0.61 3.68 2.15 -1.26 -3.05 116.67 125.44 2jah s ASP 64 Ca -0.04 -0.44 0.40 0.00 0.43 0.00 0.00 52.55 52.90 2jah s ASP 64 Cb -0.06 -2.09 2.01 0.00 -0.30 0.00 0.00 42.92 42.48 2jah s ASP 64 CO -0.05 -0.21 2.21 -0.37 -0.17 0.00 0.00 175.17 176.57 2jah h VAL 65 N 5.54 0.00 0.00 1.11 -1.51 -1.94 -1.27 116.25 118.19 2jah h VAL 65 Ca -0.32 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2jah h VAL 65 Cb 1.15 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2jah h VAL 65 CO 0.62 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.96 2jah n ALA 66 N -2.07 1.95 -2.95 5.19 0.00 -1.26 -4.20 120.51 117.16 2jah n ALA 66 Ca -0.02 0.02 -0.44 0.00 0.00 0.00 0.00 53.44 53.01 2jah n ALA 66 Cb 0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 2jah n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jah s ASP 67 N -4.16 6.40 0.22 0.00 2.15 -0.48 -4.88 116.67 115.92 2jah s ASP 67 Ca 0.08 -1.61 -0.12 0.00 0.43 0.00 0.00 52.55 51.33 2jah s ASP 67 Cb 0.11 -2.38 0.29 0.00 -0.30 0.00 0.00 42.92 40.64 2jah s ASP 67 CO 0.47 -1.18 1.63 -0.09 -0.17 0.00 0.00 175.17 175.83 2jah h ARG 68 N 9.10 0.03 -0.65 4.34 2.43 -1.85 0.19 114.38 127.97 2jah h ARG 68 Ca -0.07 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2jah h ARG 68 Cb 1.05 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 2jah h ARG 68 CO 1.12 0.02 0.12 1.96 -1.51 0.00 0.00 179.97 181.68 2jah h GLN 69 N 0.03 1.05 -0.65 0.20 4.20 -1.96 -2.61 115.11 115.38 2jah h GLN 69 Ca 0.33 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2jah h GLN 69 Cb 0.53 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2jah h GLN 69 CO -0.65 0.96 0.38 0.78 -0.67 0.00 0.00 178.83 179.63 2jah h GLY 70 N 1.05 0.95 0.73 3.46 0.00 -1.30 -2.20 103.07 105.76 2jah h GLY 70 Ca 0.20 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2jah h GLY 70 CO 0.01 0.40 -0.15 -2.08 0.00 0.00 0.00 176.54 174.72 2jah h VAL 71 N 0.88 0.65 -0.59 4.60 2.07 -0.46 0.33 116.25 123.74 2jah h VAL 71 Ca 0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.79 2jah h VAL 71 Cb 0.00 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2jah h VAL 71 CO -0.04 0.00 0.34 0.44 0.02 0.00 0.00 177.57 178.33 2jah h ASP 72 N -0.29 0.52 -0.82 0.57 3.32 -1.37 -1.56 116.42 116.79 2jah h ASP 72 Ca 0.03 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2jah h ASP 72 Cb 0.31 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2jah h ASP 72 CO -0.09 0.35 0.40 0.00 -1.72 0.00 0.00 179.24 178.18 2jah h ALA 73 N 1.29 1.15 -0.45 3.45 0.00 -1.13 -1.53 119.26 122.03 2jah h ALA 73 Ca 0.25 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jah h ALA 73 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2jah h ALA 73 CO -0.14 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 2jah h ALA 74 N 1.26 0.61 -0.24 0.00 0.00 -0.33 0.12 119.26 120.69 2jah h ALA 74 Ca 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jah h ALA 74 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jah h ALA 74 CO -0.04 0.43 0.14 0.28 0.00 0.00 0.00 179.25 180.07 2jah h VAL 75 N 0.66 1.10 -0.49 0.00 2.07 -1.21 -1.72 116.25 116.65 2jah h VAL 75 Ca 0.12 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2jah h VAL 75 Cb 0.53 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2jah h VAL 75 CO 0.03 0.09 0.30 0.00 0.02 0.00 0.00 177.57 178.01 2jah h ALA 76 N 1.04 0.63 -1.00 1.67 0.00 -1.17 -1.62 119.26 118.81 2jah h ALA 76 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jah h ALA 76 Cb 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2jah h ALA 76 CO -0.02 0.11 0.66 1.03 0.00 0.00 0.00 179.25 181.03 2jah h SER 77 N 0.66 1.11 -0.07 0.00 0.87 -0.93 -1.77 113.55 113.41 2jah h SER 77 Ca 0.18 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2jah h SER 77 Cb -0.02 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 2jah h SER 77 CO -0.03 0.77 -0.01 0.74 -0.53 0.00 0.00 176.83 177.76 2jah h THR 78 N 1.29 1.28 -0.09 2.23 2.02 -0.92 -1.44 112.91 117.27 2jah h THR 78 Ca 0.39 -0.87 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 2jah h THR 78 Cb -0.03 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2jah h THR 78 CO -0.12 0.24 -0.34 0.58 0.37 0.00 0.00 175.52 176.25 2jah h VAL 79 N -0.18 1.27 -0.12 3.16 2.07 -1.18 0.12 116.25 121.39 2jah h VAL 79 Ca 0.02 -1.31 -0.14 0.00 0.82 0.00 0.00 66.70 66.09 2jah h VAL 79 Cb 0.39 1.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2jah h VAL 79 CO 0.01 0.39 -0.47 -0.08 0.02 0.00 0.00 177.57 177.43 2jah h GLU 80 N 0.16 0.54 -0.03 1.57 4.22 -1.32 -1.31 114.58 118.40 2jah h GLU 80 Ca 0.02 -0.41 -0.23 0.00 0.08 0.00 0.00 59.36 58.81 2jah h GLU 80 Cb 0.68 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2jah h GLU 80 CO 0.05 1.04 -0.93 0.00 -2.18 0.00 0.00 179.01 176.99 2jah h ALA 81 N 0.50 0.32 -0.01 2.92 0.00 -1.03 -3.37 119.26 118.60 2jah h ALA 81 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2jah h ALA 81 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jah h ALA 81 CO 0.10 0.76 -0.25 1.28 0.00 0.00 0.00 179.25 181.13 2jah n LEU 82 N -3.81 0.99 0.00 0.00 4.77 0.38 -5.02 117.00 114.31 2jah n LEU 82 Ca -0.08 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2jah n LEU 82 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2jah n LEU 82 CO 0.52 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2jah n GLY 83 N 0.95 2.80 0.00 -0.72 0.00 -0.50 -4.94 105.19 102.79 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 -0.76 -0.85 2.86 -0.02 0.00 -1.21 -4.92 105.19 100.30 2jah n GLY 84 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 0.38 -0.07 0.99 2.96 -1.26 -4.42 118.68 117.27 2jah s LEU 85 Ca 0.00 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 2jah s LEU 85 Cb 0.00 0.26 -0.08 0.00 0.50 0.00 0.00 46.19 46.87 2jah s LEU 85 CO 0.00 -0.19 0.00 0.47 -1.32 0.00 0.00 176.35 175.31 2jah n ASP 86 N 4.73 3.38 -3.81 3.68 8.00 -0.04 -4.17 116.55 128.33 2jah n ASP 86 Ca -0.16 -0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.16 2jah n ASP 86 Cb 0.51 0.51 -0.16 0.00 -0.02 0.00 0.00 41.12 41.95 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 -2.16 0.12 -0.11 0.53 1.01 -0.57 -0.70 121.20 119.32 2jah s ILE 87 Ca -0.05 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.73 2jah s ILE 87 Cb 0.02 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 2jah s ILE 87 CO 0.25 0.13 -0.15 -0.22 0.00 0.00 0.00 174.94 174.95 2jah s LEU 88 N 1.05 2.60 -0.33 2.97 2.96 -0.06 -1.05 118.68 126.83 2jah s LEU 88 Ca -0.09 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2jah s LEU 88 Cb -0.13 -1.56 0.08 0.00 0.50 0.00 0.00 46.19 45.07 2jah s LEU 88 CO -0.02 0.20 0.03 -0.69 -1.32 0.00 0.00 176.35 174.55 2jah s VAL 89 N 0.16 2.64 -1.13 1.68 1.01 0.62 0.54 120.40 125.92 2jah s VAL 89 Ca -0.08 -1.89 -0.18 0.00 0.00 0.00 0.00 61.98 59.82 2jah s VAL 89 Cb -0.15 -2.72 0.10 0.00 0.00 0.00 0.00 36.38 33.61 2jah s VAL 89 CO 0.05 -0.37 1.47 0.20 0.00 0.00 0.00 175.10 176.46 2jah s ASN 90 N 1.23 6.76 -0.07 3.32 0.01 0.59 -1.41 114.94 125.36 2jah s ASN 90 Ca 0.02 -2.23 0.10 0.00 -0.71 0.00 0.00 52.86 50.04 2jah s ASN 90 Cb -0.20 -2.50 -0.15 0.00 0.41 0.00 0.00 41.25 38.81 2jah s ASN 90 CO -0.05 -1.14 0.12 -3.20 -1.51 0.00 0.00 177.10 171.32 2jah n ASN 91 N 7.53 2.37 -4.55 -1.22 2.85 -1.23 -4.67 115.26 116.35 2jah n ASN 91 Ca 0.37 0.00 -0.53 0.00 -0.11 0.00 0.00 54.58 54.31 2jah n ASN 91 Cb 0.47 1.05 -0.06 0.00 1.24 0.00 0.00 39.78 42.48 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 -2.21 -1.73 -3.61 5.20 0.00 -1.11 -4.79 120.51 112.26 2jah n ALA 92 Ca -0.12 0.52 -0.03 0.00 0.00 0.00 0.00 53.44 53.82 2jah n ALA 92 Cb 0.64 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 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 0.14 -0.30 0.00 0.00 0.00 -1.26 -4.62 107.32 101.27 2jah s GLY 93 Ca 0.82 1.48 0.00 0.00 0.00 0.00 0.00 44.72 47.02 2jah s GLY 93 CO 0.51 0.47 0.00 0.29 0.00 0.00 0.00 173.10 174.37 2jah n ILE 94 N -0.16 0.00 0.00 0.90 -5.35 -1.26 -5.04 119.36 108.45 2jah n ILE 94 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2jah n ILE 94 Cb 0.59 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 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 -4.89 7.28 4.77 -1.26 -4.92 117.00 117.98 2jah n LEU 96 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2jah n LEU 96 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2jah n LEU 96 CO 0.00 0.00 0.35 -0.76 -1.33 0.00 0.00 177.39 175.65 2jah s LEU 97 N 0.00 3.89 0.00 2.23 1.43 -1.26 -4.76 118.68 120.20 2jah s LEU 97 Ca 0.00 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2jah s LEU 97 Cb 0.00 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2jah s LEU 97 CO 0.00 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.84 2jah n GLY 98 N -1.31 3.44 3.72 -3.19 0.00 0.32 -3.97 105.19 104.20 2jah n GLY 98 Ca 0.01 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.22 1.62 0.10 1.61 0.04 -1.26 -4.25 135.00 130.64 2jah s PRO 99 Ca 0.00 1.36 -0.17 0.00 0.04 0.00 0.00 61.00 62.23 2jah s PRO 99 Cb 0.00 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2jah s PRO 99 CO 0.00 -2.15 1.49 0.28 0.04 0.00 0.00 177.00 176.66 2jah h VAL 100 N -1.51 1.28 -2.14 -0.36 2.07 -2.00 -3.38 116.25 110.22 2jah h VAL 100 Ca -0.43 -1.11 -0.60 0.00 0.82 0.00 0.00 66.70 65.38 2jah h VAL 100 Cb 1.25 1.39 0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2jah h VAL 100 CO 0.46 0.35 0.99 1.21 0.02 0.00 0.00 177.57 180.61 2jah n GLU 101 N -4.48 2.20 -2.57 1.57 2.13 -1.26 -1.82 120.64 116.41 2jah n GLU 101 Ca -0.03 0.80 -0.16 0.00 0.66 0.00 0.00 57.16 58.44 2jah n GLU 101 Cb 0.32 -2.62 -0.00 0.00 0.27 0.00 0.00 31.44 29.40 2jah n GLU 101 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jah n ASP 102 N 5.48 -4.37 -4.75 4.31 8.00 -1.26 -4.92 116.55 119.04 2jah n ASP 102 Ca 0.20 0.07 -0.37 0.00 0.71 0.00 0.00 54.79 55.41 2jah n ASP 102 Cb 0.30 -3.67 0.04 0.00 -0.02 0.00 0.00 41.12 37.77 2jah n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jah s ALA 103 N -2.76 2.58 -0.56 2.24 0.00 -0.75 -4.93 121.76 117.58 2jah s ALA 103 Ca 0.06 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.84 2jah s ALA 103 Cb -0.03 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2jah s ALA 103 CO 0.08 -1.25 1.52 0.34 0.00 0.00 0.00 175.76 176.44 2jah s ASP 104 N -1.44 5.96 0.00 0.00 -1.08 -1.26 -4.87 116.67 113.97 2jah s ASP 104 Ca 0.77 0.33 0.14 0.00 -0.52 0.00 0.00 52.55 53.26 2jah s ASP 104 Cb -0.33 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.18 2jah s ASP 104 CO 0.37 -1.84 1.43 0.35 0.52 0.00 0.00 175.17 176.00 2jah n THR 105 N 6.93 1.02 0.24 1.71 -2.24 -1.26 -1.00 114.28 119.68 2jah n THR 105 Ca 0.14 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.28 2jah n THR 105 Cb 0.49 -1.02 0.55 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.55 -0.76 4.28 1.35 -2.00 -1.45 112.91 114.89 2jah h THR 106 Ca 0.00 -0.93 0.09 0.00 -0.55 0.00 0.00 66.41 65.03 2jah h THR 106 Cb 0.23 1.62 -0.07 0.00 -1.73 0.00 0.00 68.15 68.20 2jah h THR 106 CO 0.00 0.19 0.40 0.44 -0.25 0.00 0.00 175.52 176.30 2jah h ASP 107 N 0.00 0.54 -0.06 5.36 3.32 -1.47 -2.09 116.42 122.02 2jah h ASP 107 Ca -0.00 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2jah h ASP 107 Cb 0.61 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2jah h ASP 107 CO 0.02 0.31 -0.10 -0.50 -1.72 0.00 0.00 179.24 177.25 2jah h TRP 108 N 0.67 0.22 -0.42 4.55 6.55 -1.42 -3.24 115.95 122.86 2jah h TRP 108 Ca 0.37 -0.08 -0.12 0.00 0.95 0.00 0.00 58.89 60.02 2jah h TRP 108 Cb 0.37 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.62 2jah h TRP 108 CO -0.09 0.69 -0.20 1.79 -1.05 0.00 0.00 178.44 179.58 2jah h THR 109 N -0.31 1.27 0.00 1.49 1.35 -1.40 -0.15 112.91 115.15 2jah h THR 109 Ca 0.00 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2jah h THR 109 Cb 0.67 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2jah h THR 109 CO 0.02 0.45 0.00 0.54 -0.25 0.00 0.00 175.52 176.28 2jah n ARG 110 N -4.12 0.03 0.00 4.72 1.74 -0.79 -0.90 116.66 117.34 2jah n ARG 110 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jah n ARG 110 Cb 0.43 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 0.38 0.00 -0.20 0.55 5.41 -0.07 -1.66 119.36 123.77 2jah n ILE 112 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 2jah n ILE 112 Cb 0.01 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 38.96 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 0.77 0.00 4.38 3.32 -1.26 -0.14 116.42 123.49 2jah h ASP 113 Ca 0.00 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2jah h ASP 113 Cb 0.00 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2jah h ASP 113 CO 0.00 0.72 -0.25 0.74 -1.72 0.00 0.00 179.24 178.72 2jah h THR 114 N 0.77 0.25 -0.29 0.35 2.02 -1.56 0.17 112.91 114.62 2jah h THR 114 Ca 0.19 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 2jah h THR 114 Cb 0.18 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2jah h THR 114 CO -0.02 0.08 -0.35 0.78 0.37 0.00 0.00 175.52 176.38 2jah h ASN 115 N -1.00 0.67 0.00 4.18 4.21 -1.78 -3.17 115.58 118.70 2jah h ASN 115 Ca -0.02 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.20 2jah h ASN 115 Cb 0.36 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2jah h ASN 115 CO -0.01 0.97 -0.02 -0.11 -1.29 0.00 0.00 177.43 176.96 2jah n LEU 116 N -4.06 0.04 -0.07 1.61 7.94 -1.02 -4.34 117.00 117.12 2jah n LEU 116 Ca -0.01 0.01 -0.09 0.00 -1.11 0.00 0.00 56.01 54.80 2jah n LEU 116 Cb 0.49 -0.32 -0.02 0.00 0.53 0.00 0.00 43.42 44.10 2jah n LEU 116 CO 0.45 -0.50 0.97 0.25 -1.11 0.00 0.00 177.39 177.46 2jah h LEU 117 N -0.02 0.28 -0.26 -1.96 5.85 -1.14 -2.97 115.31 115.09 2jah h LEU 117 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2jah h LEU 117 Cb 0.02 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2jah h LEU 117 CO 0.00 0.20 -0.16 1.23 -0.34 0.00 0.00 178.44 179.38 2jah h GLY 118 N 0.34 0.04 -1.31 3.75 0.00 -0.69 0.26 103.07 105.45 2jah h GLY 118 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2jah h GLY 118 CO -0.03 -0.16 0.00 -0.10 0.00 0.00 0.00 176.54 176.25 2jah n LEU 119 N -5.32 0.00 -0.25 3.11 0.00 -1.12 -4.58 117.00 108.83 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.66 2jah n LEU 119 CO 0.17 0.00 0.00 -1.22 0.00 0.00 0.00 177.39 176.34 2jah n TYR 121 N 0.60 -0.25 0.00 1.96 0.53 0.91 -4.64 117.16 116.27 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 -0.29 0.00 0.00 -1.03 0.00 0.00 39.34 38.02 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 -0.25 0.00 -0.27 -0.72 -1.04 -1.26 -1.16 114.28 109.57 2jah n THR 123 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2jah n THR 123 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 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 1.06 -0.44 -2.82 2.43 -1.96 -1.73 114.38 110.92 2jah h ARG 124 Ca 0.00 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.90 2jah h ARG 124 Cb 0.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2jah h ARG 124 CO 0.00 0.80 -0.24 0.00 -1.51 0.00 0.00 179.97 179.02 2jah h ALA 125 N 1.20 0.62 0.00 2.80 0.00 -1.55 -3.11 119.26 119.23 2jah h ALA 125 Ca 0.26 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2jah h ALA 125 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jah h ALA 125 CO -0.04 0.63 -0.44 0.00 0.00 0.00 0.00 179.25 179.39 2jah h ALA 126 N 0.83 0.87 -0.80 0.00 0.00 -1.78 -3.38 119.26 115.00 2jah h ALA 126 Ca 0.10 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.69 2jah h ALA 126 Cb 0.82 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2jah h ALA 126 CO 0.07 0.55 0.45 1.25 0.00 0.00 0.00 179.25 181.58 2jah h LEU 127 N 0.00 0.65 -1.71 0.00 5.85 -1.24 0.11 115.31 118.97 2jah h LEU 127 Ca -0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jah h LEU 127 Cb 1.08 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2jah h LEU 127 CO 0.06 0.38 0.13 -0.65 -0.34 0.00 0.00 178.44 178.02 2jah h PRO 128 N 0.77 0.32 -0.15 5.25 0.11 -1.76 0.57 132.00 137.11 2jah h PRO 128 Ca 0.38 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.29 2jah h PRO 128 Cb 0.34 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.39 2jah h PRO 128 CO -0.24 0.24 -0.60 0.45 -0.21 0.00 0.00 178.00 177.64 2jah h HIS 129 N 0.33 0.89 -0.34 0.65 3.86 -1.28 -2.87 115.15 116.39 2jah h HIS 129 Ca 0.09 -0.38 -0.08 0.00 -1.16 0.00 0.00 60.37 58.84 2jah h HIS 129 Cb 0.01 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2jah h HIS 129 CO 0.00 1.18 -0.12 -0.07 0.86 0.00 0.00 177.93 179.79 2jah h LEU 130 N 0.35 0.57 -0.47 2.43 3.38 -0.92 -1.62 115.31 119.02 2jah h LEU 130 Ca -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2jah h LEU 130 Cb 1.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2jah h LEU 130 CO 0.13 0.72 0.31 -0.07 0.09 0.00 0.00 178.44 179.61 2jah h LEU 131 N 0.54 0.55 -0.87 1.67 3.38 -0.89 0.12 115.31 119.81 2jah h LEU 131 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2jah h LEU 131 Cb 0.52 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2jah h LEU 131 CO 0.03 0.40 0.40 0.03 0.09 0.00 0.00 178.44 179.39 2jah h ARG 132 N 0.64 1.22 -0.02 1.13 3.08 -1.25 -3.04 114.38 116.14 2jah h ARG 132 Ca 0.17 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jah h ARG 132 Cb -0.06 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.77 2jah h ARG 132 CO -0.04 0.94 -0.03 -1.13 -1.07 0.00 0.00 179.97 178.64 2jah n SER 133 N -4.30 2.01 -3.84 7.04 3.41 -0.64 -4.94 113.62 112.36 2jah n SER 133 Ca 0.08 -1.64 -0.26 0.00 -0.26 0.00 0.00 58.87 56.80 2jah n SER 133 Cb 0.14 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.53 -3.13 -0.44 4.33 5.02 0.22 -4.96 118.16 119.74 2jah n LYS 134 Ca 0.16 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2jah n LYS 134 Cb 0.44 -4.56 0.00 0.00 -0.02 0.00 0.00 35.03 30.90 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 -1.83 0.37 3.01 0.72 0.00 0.01 -4.71 105.19 102.76 2jah n GLY 135 Ca -0.26 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 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 0.07 1.01 -0.18 2.61 2.01 0.12 -1.32 115.64 119.95 2jah s THR 136 Ca 0.00 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 2jah s THR 136 Cb 0.00 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 2jah s THR 136 CO 0.00 0.32 0.01 0.54 -0.69 0.00 0.00 174.62 174.80 2jah s VAL 137 N 0.52 4.15 -0.27 3.82 0.11 0.06 -0.88 120.40 127.92 2jah s VAL 137 Ca -0.11 -0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 58.64 2jah s VAL 137 Cb -0.14 -2.86 0.01 0.00 -1.53 0.00 0.00 36.38 31.86 2jah s VAL 137 CO 0.02 0.45 0.03 -0.69 -3.33 0.00 0.00 175.10 171.58 2jah s VAL 138 N 0.69 3.67 0.00 2.04 1.01 0.19 -0.90 120.40 127.10 2jah s VAL 138 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2jah s VAL 138 Cb -0.14 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2jah s VAL 138 CO 0.02 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.31 2jah n GLN 139 N 4.82 3.79 0.00 2.72 1.13 0.59 -0.30 117.38 130.13 2jah n GLN 139 Ca -0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 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 -3.59 1.08 2.88 0.91 -0.98 113.62 113.93 2jah n SER 141 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 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 -0.18 0.46 -3.46 0.15 -1.24 -4.46 113.70 100.96 2jah s SER 142 Ca 0.00 -0.04 0.24 0.00 0.70 0.00 0.00 55.95 56.85 2jah s SER 142 Cb 0.00 0.23 1.26 0.00 -1.71 0.00 0.00 66.02 65.79 2jah s SER 142 CO 0.00 -0.38 1.84 -0.29 1.20 0.00 0.00 173.24 175.61 2jah h ILE 143 N 2.00 0.57 0.00 6.45 2.10 -1.22 0.78 117.51 128.19 2jah h ILE 143 Ca -0.16 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2jah h ILE 143 Cb 1.19 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 2jah h ILE 143 CO 0.26 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.37 2jah n ALA 144 N -2.59 1.24 1.45 0.18 0.00 -1.26 -0.34 120.51 119.19 2jah n ALA 144 Ca 0.21 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.88 2jah n ALA 144 Cb 0.88 -1.24 0.54 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.91 -0.47 0.00 0.00 0.00 0.27 -4.14 105.19 99.94 2jah n GLY 145 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.41 2.41 -4.22 1.61 5.12 0.22 -4.35 116.66 117.04 2jah n ARG 146 Ca 0.17 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.89 2jah n ARG 146 Cb 0.31 -0.80 -0.16 0.00 -1.16 0.00 0.00 32.46 30.65 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 -1.54 0.58 -0.24 1.55 1.01 0.54 -5.13 120.40 117.17 2jah s VAL 147 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2jah s VAL 147 Cb 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2jah s VAL 147 CO 0.00 0.22 0.15 0.20 0.00 0.00 0.00 175.10 175.67 2jah s ASN 148 N 0.69 5.99 0.32 3.32 0.01 -1.26 -4.27 114.94 119.74 2jah s ASN 148 Ca -0.10 0.07 0.09 0.00 -0.71 0.00 0.00 52.86 52.21 2jah s ASN 148 Cb -0.13 -2.08 -0.06 0.00 0.41 0.00 0.00 41.25 39.39 2jah s ASN 148 CO 0.00 0.05 -0.09 0.68 -1.51 0.00 0.00 177.10 176.24 2jah s VAL 149 N 1.13 2.07 0.62 1.60 -7.23 -1.26 -5.13 120.40 112.20 2jah s VAL 149 Ca 0.07 -2.19 -0.18 0.00 -1.81 0.00 0.00 61.98 57.87 2jah s VAL 149 Cb -0.14 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 2jah s VAL 149 CO 0.05 -0.24 1.24 -0.13 -0.31 0.00 0.00 175.10 175.70 2jah s ARG 150 N -3.64 2.76 -0.97 4.82 0.52 -1.26 -3.37 118.95 117.81 2jah s ARG 150 Ca 0.31 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 2jah s ARG 150 Cb 0.02 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.60 2jah s ARG 150 CO 0.15 -1.40 0.00 0.09 0.02 0.00 0.00 175.30 174.16 2jah n ASN 151 N -1.79 -4.54 -1.21 0.23 3.02 -1.26 -4.85 115.26 104.86 2jah n ASN 151 Ca 0.14 0.23 0.05 0.00 -0.03 0.00 0.00 54.58 54.97 2jah n ASN 151 Cb 0.49 -2.84 0.08 0.00 -0.61 0.00 0.00 39.78 36.90 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 1.17 2.77 0.05 5.41 0.00 -1.22 -0.52 120.51 128.17 2jah n ALA 152 Ca -0.09 -2.65 -0.11 0.00 0.00 0.00 0.00 53.44 50.59 2jah n ALA 152 Cb 0.37 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 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 1.00 -0.35 -0.03 0.00 0.00 -1.81 0.77 119.26 118.83 2jah h ALA 153 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2jah h ALA 153 Cb 1.61 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2jah h ALA 153 CO 0.07 -0.77 -0.88 0.28 0.00 0.00 0.00 179.25 177.96 2jah h VAL 154 N -0.40 1.39 0.04 0.00 2.07 -1.92 -0.15 116.25 117.28 2jah h VAL 154 Ca 0.07 -2.34 0.01 0.00 0.82 0.00 0.00 66.70 65.26 2jah h VAL 154 Cb 0.50 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 2jah h VAL 154 CO -0.26 0.70 -0.09 0.22 0.02 0.00 0.00 177.57 178.16 2jah h TYR 155 N 0.26 -0.23 -0.78 1.57 3.20 -1.81 -0.59 116.97 118.58 2jah h TYR 155 Ca -0.06 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.85 2jah h TYR 155 Cb 1.49 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.81 2jah h TYR 155 CO 0.06 -0.14 0.49 1.96 -1.64 0.00 0.00 178.16 178.88 2jah h GLN 156 N -0.18 0.90 -0.62 1.82 4.20 -0.79 -1.45 115.11 119.00 2jah h GLN 156 Ca 0.02 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.78 2jah h GLN 156 Cb 0.20 -0.20 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 2jah h GLN 156 CO -0.07 0.60 0.20 0.00 -0.67 0.00 0.00 178.83 178.89 2jah h ALA 157 N 1.35 0.78 -0.61 3.87 0.00 -0.61 0.36 119.26 124.41 2jah h ALA 157 Ca 0.32 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 2jah h ALA 157 Cb 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jah h ALA 157 CO -0.14 -0.23 0.04 1.79 0.00 0.00 0.00 179.25 180.71 2jah h THR 158 N 0.37 1.26 0.05 0.00 1.35 -0.16 -1.23 112.91 114.54 2jah h THR 158 Ca 0.32 -1.09 -0.24 0.00 -0.55 0.00 0.00 66.41 64.85 2jah h THR 158 Cb 0.43 0.75 0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2jah h THR 158 CO -0.34 0.40 -0.98 0.11 -0.25 0.00 0.00 175.52 174.46 2jah h LYS 159 N 0.96 0.57 -0.70 4.72 1.79 -0.83 0.53 116.57 123.61 2jah h LYS 159 Ca 0.18 -0.68 0.02 0.00 -2.18 0.00 0.00 60.65 57.99 2jah h LYS 159 Cb 0.50 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 2jah h LYS 159 CO 0.02 1.28 0.46 0.74 -1.08 0.00 0.00 179.45 180.88 2jah h PHE 160 N 0.17 0.84 -0.21 -1.35 -1.00 -0.99 -1.24 116.94 113.16 2jah h PHE 160 Ca -0.14 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.66 2jah h PHE 160 Cb 1.67 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.93 2jah h PHE 160 CO 0.13 0.50 0.11 0.78 -1.61 0.00 0.00 178.31 178.22 2jah h GLY 161 N 0.88 0.32 0.52 -1.45 0.00 -0.93 -1.52 103.07 100.88 2jah h GLY 161 Ca 0.27 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.53 2jah h GLY 161 CO -0.07 0.14 0.29 -2.08 0.00 0.00 0.00 176.54 174.82 2jah h VAL 162 N 0.23 0.85 -0.28 4.60 2.07 -0.37 0.47 116.25 123.82 2jah h VAL 162 Ca 0.07 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jah h VAL 162 Cb 0.08 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2jah h VAL 162 CO -0.01 0.09 0.15 0.78 0.02 0.00 0.00 177.57 178.60 2jah h ASN 163 N 0.52 0.36 -0.20 0.57 4.21 -0.98 0.90 115.58 120.97 2jah h ASN 163 Ca 0.30 -0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.69 2jah h ASN 163 Cb 0.30 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 2jah h ASN 163 CO -0.25 0.36 0.03 0.00 -1.29 0.00 0.00 177.43 176.28 2jah h ALA 164 N 1.02 0.26 -0.61 -0.83 0.00 -0.98 0.27 119.26 118.38 2jah h ALA 164 Ca 0.10 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.96 2jah h ALA 164 Cb 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 2jah h ALA 164 CO -0.01 -0.07 0.12 0.35 0.00 0.00 0.00 179.25 179.64 2jah h PHE 165 N 0.12 0.19 -0.22 0.00 3.57 -0.77 -1.52 116.94 118.31 2jah h PHE 165 Ca 0.06 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 2jah h PHE 165 Cb 0.31 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2jah h PHE 165 CO 0.02 -0.04 -0.57 0.77 -2.23 0.00 0.00 178.31 176.25 2jah h SER 166 N 0.25 0.80 -0.63 0.41 0.02 -0.54 0.82 113.55 114.68 2jah h SER 166 Ca 0.32 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2jah h SER 166 Cb 0.49 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2jah h SER 166 CO -0.42 1.20 0.17 -0.08 -1.14 0.00 0.00 176.83 176.56 2jah h GLU 167 N 0.54 0.99 -0.35 3.45 4.57 -0.75 -0.46 114.58 122.56 2jah h GLU 167 Ca 0.00 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.93 2jah h GLU 167 Cb 1.16 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2jah h GLU 167 CO 0.12 0.89 0.12 1.15 -1.18 0.00 0.00 179.01 180.10 2jah h THR 168 N 0.91 1.21 -0.55 0.32 2.02 -1.14 -1.85 112.91 113.82 2jah h THR 168 Ca 0.20 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.81 2jah h THR 168 Cb 0.33 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 2jah h THR 168 CO -0.00 0.23 0.13 0.25 0.37 0.00 0.00 175.52 176.50 2jah h LEU 169 N 0.42 0.04 -0.32 2.58 5.85 -0.66 -1.72 115.31 121.50 2jah h LEU 169 Ca 0.11 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.99 2jah h LEU 169 Cb 0.24 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2jah h LEU 169 CO -0.00 0.04 -0.06 -0.09 -0.34 0.00 0.00 178.44 177.99 2jah h ARG 170 N 0.27 0.02 -0.91 1.25 2.43 -0.81 -0.05 114.38 116.59 2jah h ARG 170 Ca 0.28 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.57 2jah h ARG 170 Cb 0.39 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 2jah h ARG 170 CO -0.35 0.01 0.58 1.96 -1.51 0.00 0.00 179.97 180.67 2jah h GLN 171 N 0.02 0.80 0.01 0.20 4.20 -0.69 0.08 115.11 119.74 2jah h GLN 171 Ca 0.15 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.61 2jah h GLN 171 Cb 0.23 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2jah h GLN 171 CO -0.31 0.53 -0.91 0.93 -0.67 0.00 0.00 178.83 178.39 2jah h GLU 172 N 0.82 0.17 0.00 1.46 5.08 -0.34 -3.39 114.58 118.38 2jah h GLU 172 Ca 0.44 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2jah h GLU 172 Cb 0.55 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2jah h GLU 172 CO -0.20 0.97 -0.39 1.33 -1.00 0.00 0.00 179.01 179.72 2jah n VAL 173 N -3.62 0.00 -0.02 3.13 0.24 -0.16 -4.76 118.33 113.15 2jah n VAL 173 Ca -0.03 -0.34 -0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2jah n VAL 173 Cb 0.83 0.86 0.30 0.00 -1.47 0.00 0.00 33.84 34.36 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 1.19 0.00 3.34 1.03 -1.11 -0.90 112.91 116.47 2jah h THR 174 Ca 0.00 -0.74 -0.01 0.00 -0.01 0.00 0.00 66.41 65.65 2jah h THR 174 Cb 0.09 0.87 -0.00 0.00 -1.07 0.00 0.00 68.15 68.04 2jah h THR 174 CO 0.00 0.26 -0.05 -0.33 -0.01 0.00 0.00 175.52 175.39 2jah h GLU 175 N 0.54 0.00 -0.50 0.00 5.08 -1.85 -1.10 114.58 116.75 2jah h GLU 175 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2jah h GLU 175 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jah h GLU 175 CO 0.01 0.05 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 2jah n ARG 176 N -3.21 2.15 -0.63 2.33 1.74 -0.35 -4.93 116.66 113.76 2jah n ARG 176 Ca -0.00 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.28 2jah n ARG 176 Cb 0.28 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.30 0.70 3.62 -0.13 0.00 -0.42 -4.79 105.19 105.48 2jah n GLY 177 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.19 4.88 -0.05 1.61 1.01 -1.18 -3.99 120.40 120.49 2jah s VAL 178 Ca 0.00 1.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.98 2jah s VAL 178 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2jah s VAL 178 CO 0.00 -0.11 0.54 -0.13 0.00 0.00 0.00 175.10 175.40 2jah s ARG 179 N 2.74 4.30 -0.28 2.72 0.52 -0.44 -3.97 118.95 124.54 2jah s ARG 179 Ca 0.30 0.61 -0.06 0.00 -0.52 0.00 0.00 55.73 56.06 2jah s ARG 179 Cb -0.15 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 31.95 2jah s ARG 179 CO 0.10 0.28 0.05 0.08 0.02 0.00 0.00 175.30 175.83 2jah s VAL 180 N 0.15 3.76 -0.10 3.52 1.01 -1.26 -0.76 120.40 126.72 2jah s VAL 180 Ca 0.29 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2jah s VAL 180 Cb -0.17 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2jah s VAL 180 CO 0.14 0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.57 2jah s VAL 181 N 1.47 3.33 -0.14 2.92 1.01 -0.08 -4.25 120.40 124.66 2jah s VAL 181 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2jah s VAL 181 Cb -0.17 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2jah s VAL 181 CO 0.01 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 2jah s VAL 182 N -0.16 1.68 -0.15 2.92 1.01 0.57 -0.30 120.40 125.98 2jah s VAL 182 Ca 0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2jah s VAL 182 Cb -0.13 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2jah s VAL 182 CO 0.03 0.48 0.01 -0.63 0.00 0.00 0.00 175.10 174.99 2jah s ILE 183 N 1.24 4.32 -0.55 2.22 -1.09 -0.15 -1.20 121.20 125.99 2jah s ILE 183 Ca 0.00 -0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 2jah s ILE 183 Cb -0.14 -2.90 0.15 0.00 -1.58 0.00 0.00 42.46 38.00 2jah s ILE 183 CO -0.08 0.51 0.36 -1.61 -1.23 0.00 0.00 174.94 172.89 2jah s GLU 184 N 0.08 1.79 0.40 2.79 2.02 0.79 -0.06 118.70 126.51 2jah s GLU 184 Ca 0.02 -2.65 -0.24 0.00 0.02 0.00 0.00 54.97 52.12 2jah s GLU 184 Cb -0.13 -2.75 -0.09 0.00 0.10 0.00 0.00 34.13 31.26 2jah s GLU 184 CO 0.02 -1.24 1.04 -2.14 0.02 0.00 0.00 175.26 172.95 2jah s PRO 185 N -0.52 4.18 0.00 0.39 0.02 -1.26 -1.85 135.00 135.95 2jah s PRO 185 Ca 0.23 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2jah s PRO 185 Cb -0.12 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.89 2jah s PRO 185 CO -0.10 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 2jah n GLY 186 N 0.27 -0.13 3.63 0.52 0.00 0.35 -0.97 105.19 108.87 2jah n GLY 186 Ca 0.05 -1.75 -0.53 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.39 0.36 -4.82 2.61 -1.04 -1.26 -4.87 114.28 104.86 2jah n THR 187 Ca 0.00 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.05 61.64 2jah n THR 187 Cb 0.00 -1.52 -0.16 0.00 -1.82 0.00 0.00 70.33 66.83 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 4.73 1.38 -1.08 12.58 2.01 -1.26 -0.82 115.64 133.18 2jah s THR 188 Ca 1.00 -0.72 -0.22 0.00 0.31 0.00 0.00 61.69 62.06 2jah s THR 188 Cb -0.91 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 70.45 2jah s THR 188 CO 0.57 0.40 1.68 -0.62 -0.69 0.00 0.00 174.62 175.96 2jah s ASP 189 N -0.20 6.14 0.09 3.53 2.15 0.22 -4.88 116.67 123.72 2jah s ASP 189 Ca 0.02 -1.56 0.01 0.00 0.43 0.00 0.00 52.55 51.45 2jah s ASP 189 Cb -0.09 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2jah s ASP 189 CO 0.01 -1.86 0.04 0.35 -0.17 0.00 0.00 175.17 173.53 2jah n THR 190 N 7.08 0.00 1.43 1.71 -2.24 -1.26 -4.54 114.28 116.46 2jah n THR 190 Ca 0.40 -0.53 0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2jah n THR 190 Cb 0.48 0.21 0.76 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.19 0.44 -0.20 -0.78 1.02 -1.26 -4.40 120.64 115.27 2jah n GLU 191 Ca -0.01 -0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.13 2jah n GLU 191 Cb 0.14 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.02 -0.28 -1.56 -4.62 5.85 -1.96 -1.52 115.31 111.24 2jah h LEU 192 Ca 0.00 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2jah h LEU 192 Cb 0.28 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2jah h LEU 192 CO 0.00 -0.12 -0.18 0.08 -0.34 0.00 0.00 178.44 177.88 2jah h ARG 193 N 0.11 0.00 -0.26 1.25 0.11 -1.95 -2.85 114.38 110.79 2jah h ARG 193 Ca 0.32 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.47 2jah h ARG 193 Cb 0.51 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2jah h ARG 193 CO -0.53 0.18 0.31 0.78 0.10 0.00 0.00 179.97 180.81 2jah h GLY 194 N 1.35 0.00 0.97 0.08 0.00 -1.59 -2.78 103.07 101.09 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 0.02 0.00 -0.52 1.42 0.00 0.00 0.00 176.54 177.47 2jah n HIS 195 N -3.69 0.00 -1.67 5.60 8.25 -1.08 -4.91 115.22 117.72 2jah n HIS 195 Ca 0.04 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.03 2jah n HIS 195 Cb 0.45 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.50 0.12 -0.02 1.59 5.41 -1.05 -4.89 119.36 119.01 2jah n ILE 196 Ca 0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 62.75 63.78 2jah n ILE 196 Cb 0.34 -1.55 -0.12 0.00 -0.71 0.00 0.00 39.64 37.60 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 3.70 0.99 -2.60 1.39 -2.24 -1.26 -4.78 114.28 109.49 2jah n THR 197 Ca 0.18 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 2jah n THR 197 Cb 0.28 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.92 2.42 0.15 4.78 5.65 -1.25 -4.92 115.29 119.19 2jah s HIS 198 Ca -0.06 0.00 -0.21 0.00 0.25 0.00 0.00 55.06 55.04 2jah s HIS 198 Cb 0.09 -4.54 0.03 0.00 -1.18 0.00 0.00 32.58 26.98 2jah s HIS 198 CO 0.84 -1.89 1.65 1.15 -0.65 0.00 0.00 174.74 175.83 2jah h THR 199 N 6.05 0.48 -0.77 0.89 2.02 -1.92 0.45 112.91 120.11 2jah h THR 199 Ca -0.27 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.98 2jah h THR 199 Cb 1.05 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 2jah h THR 199 CO 1.24 0.00 0.44 0.00 0.37 0.00 0.00 175.52 177.57 2jah h ALA 200 N 0.94 1.07 -0.27 6.16 0.00 -1.99 -1.58 119.26 123.59 2jah h ALA 200 Ca 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2jah h ALA 200 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jah h ALA 200 CO -0.36 0.12 -0.26 1.15 0.00 0.00 0.00 179.25 179.90 2jah h THR 201 N 0.79 1.31 -0.57 0.00 2.02 -1.59 -3.05 112.91 111.82 2jah h THR 201 Ca 0.35 -1.42 0.09 0.00 0.77 0.00 0.00 66.41 66.21 2jah h THR 201 Cb 0.25 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 2jah h THR 201 CO -0.21 0.45 0.16 0.50 0.37 0.00 0.00 175.52 176.79 2jah h LYS 202 N 0.37 0.30 -1.26 6.66 3.64 -0.63 0.20 116.57 125.86 2jah h LYS 202 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jah h LYS 202 Cb 0.82 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2jah h LYS 202 CO 0.06 0.20 0.00 0.39 -2.27 0.00 0.00 179.45 177.84 2jah n GLU 203 N -5.07 0.37 0.00 1.90 4.71 -0.62 -1.23 120.64 120.71 2jah n GLU 203 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 2jah n GLU 203 Cb 0.27 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 2jah n GLU 203 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2jah n TYR 205 N 0.67 0.00 -0.04 -0.32 9.36 0.72 -1.67 117.16 125.87 2jah n TYR 205 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 2jah n TYR 205 Cb 0.16 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.62 -0.42 2.98 5.08 -1.41 -1.45 114.58 119.98 2jah h GLU 206 Ca 0.00 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2jah h GLU 206 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2jah h GLU 206 CO 0.00 0.63 0.01 0.37 -1.00 0.00 0.00 179.01 179.01 2jah h GLN 207 N 0.59 0.75 -0.15 2.33 5.75 -1.57 -2.09 115.11 120.71 2jah h GLN 207 Ca 0.13 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2jah h GLN 207 Cb 0.35 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2jah h GLN 207 CO 0.01 0.82 0.10 -0.09 -2.65 0.00 0.00 178.83 177.01 2jah h ARG 208 N 0.58 0.20 0.00 1.69 2.43 -1.68 -3.16 114.38 114.45 2jah h ARG 208 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2jah h ARG 208 Cb 0.47 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2jah h ARG 208 CO 0.02 0.16 0.00 -0.84 -1.51 0.00 0.00 179.97 177.80 2jah h ILE 209 N 0.19 0.00 0.00 1.20 3.07 -1.26 -3.19 117.51 117.52 2jah h ILE 209 Ca 0.06 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 65.76 2jah h ILE 209 Cb 0.01 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 2jah h ILE 209 CO -0.01 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 177.86 2jah h SER 210 N 0.00 0.00 -0.18 2.16 4.64 -1.33 -2.98 113.55 115.86 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 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2jah h SER 210 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2jah n GLN 211 N -2.83 2.06 -4.29 4.77 1.13 -1.20 -4.91 117.38 112.11 2jah n GLN 211 Ca -0.01 -1.58 -0.22 0.00 -1.94 0.00 0.00 57.00 53.25 2jah n GLN 211 Cb 0.15 -1.46 -0.12 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.78 1.65 -0.20 5.09 -4.36 -1.13 -5.06 121.20 115.41 2jah s ILE 212 Ca 0.34 -1.69 -0.29 0.00 -0.26 0.00 0.00 60.65 58.75 2jah s ILE 212 Cb 0.20 -1.62 -0.02 0.00 1.25 0.00 0.00 42.46 42.27 2jah s ILE 212 CO 0.30 -0.22 1.45 -0.13 0.24 0.00 0.00 174.94 176.57 2jah s ARG 213 N -2.34 4.00 0.51 0.37 0.52 -1.26 -5.01 118.95 115.73 2jah s ARG 213 Ca 0.10 1.63 -0.17 0.00 -0.52 0.00 0.00 55.73 56.77 2jah s ARG 213 Cb -0.08 -3.92 -0.08 0.00 0.52 0.00 0.00 34.95 31.40 2jah s ARG 213 CO 0.05 -1.03 0.98 0.15 0.02 0.00 0.00 175.30 175.47 2jah s LYS 214 N 4.14 3.96 0.59 3.54 1.02 -1.26 -4.66 119.74 127.07 2jah s LYS 214 Ca 0.63 0.99 -0.20 0.00 0.02 0.00 0.00 55.97 57.42 2jah s LYS 214 Cb -0.23 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 2jah s LYS 214 CO 0.24 -0.26 1.30 -0.51 -0.92 0.00 0.00 175.35 175.19 2jah s LEU 215 N -3.97 3.71 0.05 3.17 1.43 0.00 -4.80 118.68 118.27 2jah s LEU 215 Ca 0.60 2.63 -0.00 0.00 -1.03 0.00 0.00 54.13 56.32 2jah s LEU 215 Cb -0.10 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 2jah s LEU 215 CO 0.29 -1.73 0.20 -1.10 0.23 0.00 0.00 176.35 174.24 2jah s GLN 216 N -3.17 3.44 0.34 1.70 -1.52 -1.26 -0.61 119.66 118.59 2jah s GLN 216 Ca 0.77 -0.42 0.06 0.00 -1.95 0.00 0.00 55.36 53.82 2jah s GLN 216 Cb -0.37 -3.05 0.74 0.00 -0.22 0.00 0.00 33.01 30.11 2jah s GLN 216 CO 0.41 0.62 1.90 0.00 -0.25 0.00 0.00 175.29 177.97 2jah h ALA 217 N 3.21 1.74 -0.42 6.09 0.00 -1.90 0.50 119.26 128.46 2jah h ALA 217 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jah h ALA 217 Cb 1.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2jah h ALA 217 CO 0.75 0.07 0.27 -0.56 0.00 0.00 0.00 179.25 179.78 2jah h GLN 218 N 0.78 0.56 -0.58 0.00 3.07 -1.92 -1.57 115.11 115.44 2jah h GLN 218 Ca 0.41 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 59.11 2jah h GLN 218 Cb 0.52 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.92 2jah h GLN 218 CO -0.17 0.38 0.35 -0.44 0.09 0.00 0.00 178.83 179.03 2jah h ASP 219 N 0.58 0.70 -0.36 0.06 3.32 -1.29 -1.34 116.42 118.09 2jah h ASP 219 Ca 0.16 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 2jah h ASP 219 Cb -0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2jah h ASP 219 CO -0.03 0.56 -0.40 0.40 -1.72 0.00 0.00 179.24 178.04 2jah h ILE 220 N 0.79 1.27 -0.95 0.35 1.08 -1.27 -2.25 117.51 116.53 2jah h ILE 220 Ca 0.21 -1.58 0.10 0.00 -0.39 0.00 0.00 64.86 63.20 2jah h ILE 220 Cb -0.01 1.41 -0.07 0.00 -3.07 0.00 0.00 36.82 35.07 2jah h ILE 220 CO -0.04 0.53 0.61 0.00 -0.69 0.00 0.00 178.15 178.56 2jah h ALA 221 N 0.78 1.56 -0.22 1.87 0.00 -1.17 -1.53 119.26 120.55 2jah h ALA 221 Ca 0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2jah h ALA 221 Cb 1.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jah h ALA 221 CO 0.10 0.25 -0.36 1.49 0.00 0.00 0.00 179.25 180.73 2jah h GLU 222 N 0.98 0.47 -0.25 0.00 4.57 -0.84 -0.06 114.58 119.45 2jah h GLU 222 Ca 0.44 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2jah h GLU 222 Cb 0.38 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2jah h GLU 222 CO -0.20 0.77 0.14 0.00 -1.18 0.00 0.00 179.01 178.54 2jah h ALA 223 N 1.22 0.32 -0.40 2.92 0.00 -0.82 0.45 119.26 122.94 2jah h ALA 223 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2jah h ALA 223 Cb 0.82 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2jah h ALA 223 CO 0.07 -0.17 0.24 0.28 0.00 0.00 0.00 179.25 179.67 2jah h VAL 224 N 0.30 1.05 -0.20 0.00 2.07 -1.07 -1.25 116.25 117.14 2jah h VAL 224 Ca 0.09 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2jah h VAL 224 Cb 0.04 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2jah h VAL 224 CO -0.02 0.09 0.06 -0.09 0.02 0.00 0.00 177.57 177.63 2jah h ARG 225 N 0.49 0.14 -0.11 1.57 2.43 -0.81 -0.65 114.38 117.44 2jah h ARG 225 Ca 0.16 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2jah h ARG 225 Cb -0.00 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 2jah h ARG 225 CO -0.07 0.09 -0.11 -0.92 -1.51 0.00 0.00 179.97 177.46 2jah h TYR 226 N 0.15 -0.27 -0.42 2.20 3.20 -0.66 -1.92 116.97 119.25 2jah h TYR 226 Ca 0.09 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2jah h TYR 226 Cb 0.07 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2jah h TYR 226 CO -0.13 -0.16 0.23 0.00 -1.64 0.00 0.00 178.16 176.46 2jah h ALA 227 N 0.94 0.52 0.00 1.82 0.00 -0.87 -2.61 119.26 119.06 2jah h ALA 227 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jah h ALA 227 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jah h ALA 227 CO -0.19 -0.11 -0.16 -0.39 0.00 0.00 0.00 179.25 178.40 2jah h VAL 228 N 0.46 0.29 -0.01 0.00 -1.51 -1.03 -3.11 116.25 111.34 2jah h VAL 228 Ca 0.17 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2jah h VAL 228 Cb 0.05 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2jah h VAL 228 CO -0.10 0.15 -0.40 0.35 -1.23 0.00 0.00 177.57 176.34 2jah n THR 229 N -3.16 0.00 -1.69 7.19 -2.24 -0.73 -4.91 114.28 108.73 2jah n THR 229 Ca 0.03 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 2jah n THR 229 Cb 0.55 0.51 0.04 0.00 -2.10 0.00 0.00 70.33 69.33 2jah n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jah n ALA 230 N -0.85 1.04 -1.44 6.98 0.00 -0.99 -4.94 120.51 120.30 2jah n ALA 230 Ca 0.10 0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 2jah n ALA 230 Cb 0.36 -2.26 0.09 0.00 0.00 0.00 0.00 19.45 17.64 2jah n ALA 230 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jah n PRO 231 N -0.87 0.67 -0.27 0.00 -0.04 -1.26 -4.86 135.00 128.37 2jah n PRO 231 Ca 0.11 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 2jah n PRO 231 Cb 0.44 -2.38 0.39 0.00 -0.04 0.00 0.00 33.50 31.91 2jah n PRO 231 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2jah h HIS 232 N -0.09 0.79 0.00 0.54 2.76 -1.95 0.07 115.15 117.27 2jah h HIS 232 Ca -0.48 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2jah h HIS 232 Cb 1.33 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.04 2jah h HIS 232 CO 0.42 0.28 0.00 -2.39 -1.30 0.00 0.00 177.93 174.93 2jah n HIS 233 N -4.57 0.00 -3.96 5.26 1.44 -1.26 -4.55 115.22 107.59 2jah n HIS 233 Ca 0.18 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.53 2jah n HIS 233 Cb 0.50 -0.49 -0.13 0.00 0.12 0.00 0.00 29.99 30.00 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 -2.97 3.04 -0.33 1.59 0.00 0.01 -5.08 121.76 118.02 2jah s ALA 234 Ca 0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 2jah s ALA 234 Cb 0.07 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.35 2jah s ALA 234 CO 0.18 -0.28 0.14 0.99 0.00 0.00 0.00 175.76 176.79 2jah s THR 235 N 1.23 4.28 -1.07 0.00 2.01 -1.26 -4.71 115.64 116.12 2jah s THR 235 Ca 0.04 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 2jah s THR 235 Cb -0.15 -3.29 0.11 0.00 0.01 0.00 0.00 72.50 69.18 2jah s THR 235 CO 0.01 -0.06 1.37 -0.69 -0.69 0.00 0.00 174.62 174.57 2jah s VAL 236 N 1.53 4.47 0.29 3.82 1.01 -1.26 -4.83 120.40 125.43 2jah s VAL 236 Ca 0.02 -1.61 0.10 0.00 0.00 0.00 0.00 61.98 60.49 2jah s VAL 236 Cb -0.18 -4.95 -0.01 0.00 0.00 0.00 0.00 36.38 31.25 2jah s VAL 236 CO 0.05 -1.73 1.65 -0.74 0.00 0.00 0.00 175.10 174.32 2jah h HIS 237 N 8.58 0.04 -3.42 5.22 2.76 -1.91 -3.36 115.15 123.05 2jah h HIS 237 Ca 0.25 -0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 58.13 2jah h HIS 237 Cb 0.97 -0.01 -0.33 0.00 1.55 0.00 0.00 27.41 29.59 2jah h HIS 237 CO 1.23 0.59 -0.68 -1.21 -1.30 0.00 0.00 177.93 176.56 2jah s GLU 238 N -3.75 0.01 -0.18 5.26 2.02 -1.25 -0.31 118.70 120.50 2jah s GLU 238 Ca -0.02 0.25 0.01 0.00 0.02 0.00 0.00 54.97 55.23 2jah s GLU 238 Cb 0.13 -0.21 0.04 0.00 0.10 0.00 0.00 34.13 34.19 2jah s GLU 238 CO 0.76 -0.16 -0.11 0.42 0.02 0.00 0.00 175.26 176.19 2jah s ILE 239 N 1.06 1.60 -0.41 -1.63 1.01 -0.35 -4.97 121.20 117.51 2jah s ILE 239 Ca -0.09 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 2jah s ILE 239 Cb -0.12 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 40.80 2jah s ILE 239 CO -0.04 0.24 0.25 0.12 0.00 0.00 0.00 174.94 175.51 2jah s PHE 240 N 1.43 3.34 -0.17 3.97 5.36 -1.26 -0.15 117.98 130.50 2jah s PHE 240 Ca 0.00 -1.55 -0.01 0.00 -0.96 0.00 0.00 56.93 54.41 2jah s PHE 240 Cb -0.15 -2.94 -0.01 0.00 -0.34 0.00 0.00 43.02 39.58 2jah s PHE 240 CO -0.09 -0.85 -0.11 -1.50 -1.46 0.00 0.00 175.22 171.22 2jah s ILE 241 N 1.42 3.05 0.15 3.12 2.07 -0.77 -5.01 121.20 125.22 2jah s ILE 241 Ca 0.03 -0.63 0.11 0.00 -1.41 0.00 0.00 60.65 58.74 2jah s ILE 241 Cb -0.23 -2.32 -0.04 0.00 0.13 0.00 0.00 42.46 40.00 2jah s ILE 241 CO 0.02 0.49 -0.25 -0.13 -1.91 0.00 0.00 174.94 173.16 2jah s ARG 242 N 0.90 1.39 0.17 3.50 0.52 -1.26 -0.49 118.95 123.68 2jah s ARG 242 Ca -0.02 -1.38 -0.32 0.00 -0.52 0.00 0.00 55.73 53.49 2jah s ARG 242 Cb -0.15 -1.80 -0.10 0.00 0.52 0.00 0.00 34.95 33.42 2jah s ARG 242 CO -0.00 0.41 1.63 -2.14 0.02 0.00 0.00 175.30 175.22 2jah s PRO 243 N -2.24 4.19 0.48 3.54 0.02 -1.26 -4.86 135.00 134.87 2jah s PRO 243 Ca 0.15 2.43 0.23 0.00 0.02 0.00 0.00 61.00 63.83 2jah s PRO 243 Cb -0.09 -3.19 1.26 0.00 0.02 0.00 0.00 34.50 32.50 2jah s PRO 243 CO 0.07 -0.67 1.93 1.15 -0.33 0.00 0.00 177.00 179.15 2jah h THR 244 N 4.06 0.70 -0.00 0.99 2.02 -1.99 -2.49 112.91 116.19 2jah h THR 244 Ca -0.43 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2jah h THR 244 Cb 1.20 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2jah h THR 244 CO 0.93 0.03 -0.02 0.47 0.37 0.00 0.00 175.52 177.31 2jah n ASP 245 N -4.41 0.06 -4.18 4.18 8.00 -1.26 -4.76 116.55 114.18 2jah n ASP 245 Ca 0.15 -0.26 -0.34 0.00 0.71 0.00 0.00 54.79 55.04 2jah n ASP 245 Cb 0.68 -0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.52 2.69 0.00 -1.24 0.74 -0.94 -4.92 119.66 113.47 2jah s GLN 246 Ca 0.30 -1.07 0.07 0.00 0.05 0.00 0.00 55.36 54.70 2jah s GLN 246 Cb 0.20 -3.01 0.40 0.00 1.10 0.00 0.00 33.01 31.70 2jah s GLN 246 CO 0.46 -0.46 0.86 0.28 -0.55 0.00 0.00 175.29 175.87