#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjc s VAL 3 N 0.00 5.25 0.02 3.44 1.01 -1.26 -1.36 120.40 127.50 1xjc s VAL 3 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1xjc s VAL 3 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1xjc s VAL 3 CO 0.00 0.44 -0.15 0.26 0.00 0.00 0.00 175.10 175.65 1xjc s TRP 4 N 0.37 1.35 0.09 5.22 0.52 0.10 -4.10 118.94 122.48 1xjc s TRP 4 Ca 0.07 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 55.91 1xjc s TRP 4 Cb -0.11 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.34 1xjc s TRP 4 CO -0.01 0.03 -0.02 -0.65 0.02 0.00 0.00 176.95 176.31 1xjc s GLN 5 N -0.91 2.47 -0.21 4.98 -0.21 -0.16 0.01 119.66 125.64 1xjc s GLN 5 Ca 0.04 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.57 1xjc s GLN 5 Cb -0.07 -2.50 0.04 0.00 1.00 0.00 0.00 33.01 31.48 1xjc s GLN 5 CO 0.01 0.54 -0.12 0.08 -2.12 0.00 0.00 175.29 173.68 1xjc s VAL 6 N -1.28 1.83 0.08 1.09 1.01 0.20 -0.55 120.40 122.79 1xjc s VAL 6 Ca 0.24 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1xjc s VAL 6 Cb -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1xjc s VAL 6 CO 0.17 0.17 -0.24 0.68 0.00 0.00 0.00 175.10 175.88 1xjc s VAL 7 N 1.31 2.00 0.00 2.92 -7.23 -0.63 -1.37 120.40 117.40 1xjc s VAL 7 Ca -0.02 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1xjc s VAL 7 Cb -0.17 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1xjc s VAL 7 CO -0.08 0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1xjc n GLY 8 N 1.36 2.17 3.93 2.32 0.00 -1.26 -0.48 105.19 113.23 1xjc n GLY 8 Ca -0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1xjc n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xjc s TYR 9 N -2.00 1.38 0.27 1.61 2.02 -1.26 -4.92 117.35 114.45 1xjc s TYR 9 Ca 0.00 0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.66 1xjc s TYR 9 Cb 0.00 -4.20 -0.13 0.00 -0.40 0.00 0.00 41.96 37.23 1xjc s TYR 9 CO 0.00 -2.80 1.39 1.17 -1.57 0.00 0.00 175.55 173.74 1xjc n LYS 10 N -3.85 2.11 -2.07 -0.62 4.81 -1.26 -2.07 118.16 115.20 1xjc n LYS 10 Ca 0.16 0.75 -0.19 0.00 -0.87 0.00 0.00 58.31 58.16 1xjc n LYS 10 Cb 0.59 -2.40 -0.04 0.00 0.02 0.00 0.00 35.03 33.21 1xjc n LYS 10 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xjc n HIS 11 N 1.53 -0.72 0.24 5.64 8.25 -1.26 -4.85 115.22 124.05 1xjc n HIS 11 Ca 0.10 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.69 1xjc n HIS 11 Cb 0.33 -3.50 0.31 0.00 1.12 0.00 0.00 29.99 28.25 1xjc n HIS 11 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1xjc h SER 12 N 0.00 0.00 0.00 0.41 4.64 -1.77 -3.47 113.55 113.36 1xjc h SER 12 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1xjc h SER 12 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xjc h SER 12 CO 0.54 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1xjc n GLY 13 N 0.81 1.09 0.25 -0.77 0.00 -1.26 -4.45 105.19 100.87 1xjc n GLY 13 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1xjc n GLY 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xjc h LYS 14 N 0.90 0.00 -0.39 1.61 2.10 -1.90 -1.78 116.57 117.10 1xjc h LYS 14 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1xjc h LYS 14 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1xjc h LYS 14 CO 0.00 0.06 0.05 1.15 -2.00 0.00 0.00 179.45 178.71 1xjc h THR 15 N 0.00 1.24 0.05 0.07 2.02 -1.98 -3.04 112.91 111.28 1xjc h THR 15 Ca -0.00 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1xjc h THR 15 Cb 0.11 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1xjc h THR 15 CO 0.01 0.30 -0.02 0.74 0.37 0.00 0.00 175.52 176.92 1xjc h THR 16 N 0.50 0.99 0.00 3.16 2.02 -1.83 -1.38 112.91 116.36 1xjc h THR 16 Ca 0.12 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xjc h THR 16 Cb 0.39 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1xjc h THR 16 CO 0.01 0.03 0.00 -0.11 0.37 0.00 0.00 175.52 175.82 1xjc n LEU 17 N -5.09 0.00 0.00 2.58 7.94 -0.73 -1.51 117.00 120.19 1xjc n LEU 17 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1xjc n LEU 17 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1xjc n LEU 17 CO 0.33 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.99 1xjc n GLU 19 N 0.61 0.00 -0.06 1.96 1.02 -0.52 -0.36 120.64 123.29 1xjc n GLU 19 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1xjc n GLU 19 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 1xjc n GLU 19 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1xjc h LYS 20 N 0.00 0.74 -0.11 3.49 1.57 -1.51 -1.72 116.57 119.03 1xjc h LYS 20 Ca 0.00 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1xjc h LYS 20 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xjc h LYS 20 CO 0.00 1.00 -0.05 2.35 -0.57 0.00 0.00 179.45 182.18 1xjc h TRP 21 N 0.61 0.25 -0.51 -1.35 2.91 -0.93 -1.76 115.95 115.16 1xjc h TRP 21 Ca 0.05 -0.06 0.04 0.00 1.13 0.00 0.00 58.89 60.06 1xjc h TRP 21 Cb 0.94 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 1xjc h TRP 21 CO 0.05 0.56 0.26 0.28 -1.03 0.00 0.00 178.44 178.56 1xjc h VAL 22 N -0.14 0.95 -0.77 2.65 2.07 -1.76 -1.41 116.25 117.86 1xjc h VAL 22 Ca 0.02 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1xjc h VAL 22 Cb 0.50 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1xjc h VAL 22 CO 0.01 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.20 1xjc h ALA 23 N 1.28 0.99 -0.43 1.67 0.00 -1.20 0.11 119.26 121.68 1xjc h ALA 23 Ca 0.23 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1xjc h ALA 23 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xjc h ALA 23 CO -0.16 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 1xjc h ALA 24 N 1.30 0.58 -0.48 0.00 0.00 -1.03 -0.16 119.26 119.46 1xjc h ALA 24 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xjc h ALA 24 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xjc h ALA 24 CO -0.08 0.39 0.26 0.00 0.00 0.00 0.00 179.25 179.82 1xjc h ALA 25 N 0.89 0.62 -0.38 0.00 0.00 -0.79 -1.90 119.26 117.70 1xjc h ALA 25 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xjc h ALA 25 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1xjc h ALA 25 CO 0.03 0.15 0.23 0.28 0.00 0.00 0.00 179.25 179.93 1xjc h VAL 26 N 0.63 1.12 -0.72 0.00 2.07 -0.57 -1.68 116.25 117.11 1xjc h VAL 26 Ca 0.17 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1xjc h VAL 26 Cb 0.07 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1xjc h VAL 26 CO -0.03 0.12 0.47 0.03 0.02 0.00 0.00 177.57 178.19 1xjc h ARG 27 N 0.50 0.70 0.00 1.57 3.08 -0.75 0.41 114.38 119.89 1xjc h ARG 27 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1xjc h ARG 27 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1xjc h ARG 27 CO -0.03 0.46 0.00 0.39 -1.07 0.00 0.00 179.97 179.73 1xjc n GLU 28 N -4.48 0.56 -0.97 0.04 -0.58 -0.74 -4.86 120.64 109.60 1xjc n GLU 28 Ca 0.11 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1xjc n GLU 28 Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1xjc n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xjc n GLY 29 N 0.44 0.46 3.80 0.62 0.00 0.14 -5.04 105.19 105.62 1xjc n GLY 29 Ca 0.14 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1xjc n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xjc s TRP 30 N -2.00 2.95 -0.43 1.61 0.51 -0.67 -5.00 118.94 115.90 1xjc s TRP 30 Ca 0.00 1.51 -0.20 0.00 -2.12 0.00 0.00 56.10 55.29 1xjc s TRP 30 Cb 0.00 -3.01 0.02 0.00 -0.81 0.00 0.00 33.47 29.67 1xjc s TRP 30 CO 0.00 -1.22 0.59 1.03 -0.51 0.00 0.00 176.95 176.84 1xjc s ARG 31 N -4.22 3.24 0.05 4.98 0.52 -1.26 -4.58 118.95 117.66 1xjc s ARG 31 Ca 0.63 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 55.43 1xjc s ARG 31 Cb -0.16 -3.95 -0.04 0.00 0.52 0.00 0.00 34.95 31.32 1xjc s ARG 31 CO 0.40 -0.97 -0.09 0.08 0.02 0.00 0.00 175.30 174.75 1xjc s VAL 32 N 2.64 3.49 0.06 3.52 1.01 -1.26 0.07 120.40 129.92 1xjc s VAL 32 Ca 0.20 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1xjc s VAL 32 Cb -0.15 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1xjc s VAL 32 CO 0.18 0.28 -0.16 -0.83 0.00 0.00 0.00 175.10 174.57 1xjc s GLY 33 N -1.73 0.90 0.08 4.51 0.00 -0.26 -5.01 107.32 105.82 1xjc s GLY 33 Ca 0.19 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 44.00 1xjc s GLY 33 CO 0.10 -0.95 -0.14 -0.51 0.00 0.00 0.00 173.10 171.61 1xjc s THR 34 N -1.02 1.13 -0.04 0.90 -4.23 -1.26 -1.08 115.64 110.05 1xjc s THR 34 Ca 0.02 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1xjc s THR 34 Cb -0.09 -1.18 0.02 0.00 1.34 0.00 0.00 72.50 72.60 1xjc s THR 34 CO 0.02 -0.29 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.10 1xjc s VAL 35 N -1.54 0.32 -0.02 2.29 1.01 -0.48 -4.95 120.40 117.03 1xjc s VAL 35 Ca 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1xjc s VAL 35 Cb -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1xjc s VAL 35 CO 0.02 0.18 -0.08 -0.54 0.00 0.00 0.00 175.10 174.68 1xjc s LYS 36 N 0.97 0.78 -0.42 2.72 1.02 -1.26 -0.28 119.74 123.26 1xjc s LYS 36 Ca -0.11 -0.26 -0.23 0.00 0.02 0.00 0.00 55.97 55.39 1xjc s LYS 36 Cb -0.14 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1xjc s LYS 36 CO -0.01 0.11 0.78 -1.58 -0.92 0.00 0.00 175.35 173.74 1xjc s HIS 37 N 0.11 3.04 0.00 3.18 2.46 -1.20 -5.01 115.29 117.87 1xjc s HIS 37 Ca -0.01 0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.84 1xjc s HIS 37 Cb -0.07 -3.56 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 1xjc s HIS 37 CO 0.00 -0.88 0.00 -2.39 -2.47 0.00 0.00 174.74 169.00 1xjc n HIS 38 N 6.60 0.00 0.10 3.88 1.44 -1.26 -5.04 115.22 120.94 1xjc n HIS 38 Ca 0.03 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.83 1xjc n HIS 38 Cb 0.48 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.85 1xjc n HIS 38 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xjc n GLY 59 N 0.00 1.80 3.76 -1.39 0.00 -1.26 -5.30 105.19 102.80 1xjc n GLY 59 Ca 0.00 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1xjc n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjc s ALA 60 N -1.30 2.68 0.11 4.61 0.00 -1.26 -4.93 121.76 121.67 1xjc s ALA 60 Ca 0.39 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 1xjc s ALA 60 Cb 0.21 -3.45 -0.18 0.00 0.00 0.00 0.00 23.12 19.71 1xjc s ALA 60 CO 0.26 -1.06 1.24 0.28 0.00 0.00 0.00 175.76 176.47 1xjc h VAL 61 N 1.19 1.49 -3.27 0.00 2.07 -1.94 -3.46 116.25 112.34 1xjc h VAL 61 Ca -0.50 -2.85 -0.19 0.00 0.82 0.00 0.00 66.70 63.97 1xjc h VAL 61 Cb 1.29 2.71 -0.27 0.00 -1.52 0.00 0.00 31.29 33.50 1xjc h VAL 61 CO 0.57 0.83 -0.52 0.00 0.02 0.00 0.00 177.57 178.47 1xjc s ALA 62 N -2.92 -0.43 0.05 1.67 0.00 -1.26 -0.80 121.76 118.08 1xjc s ALA 62 Ca -0.04 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1xjc s ALA 62 Cb 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1xjc s ALA 62 CO 0.86 -0.11 -0.12 0.95 0.00 0.00 0.00 175.76 177.35 1xjc s THR 63 N 0.38 0.91 -0.11 0.00 -4.23 -0.44 -5.00 115.64 107.14 1xjc s THR 63 Ca -0.02 -1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 1xjc s THR 63 Cb -0.04 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 72.97 1xjc s THR 63 CO -0.02 -0.17 0.28 0.00 -0.54 0.00 0.00 174.62 174.18 1xjc s ALA 64 N -1.08 -0.68 -0.10 3.99 0.00 -1.26 -1.20 121.76 121.43 1xjc s ALA 64 Ca -0.03 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1xjc s ALA 64 Cb -0.09 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1xjc s ALA 64 CO 0.01 -0.18 -0.17 0.08 0.00 0.00 0.00 175.76 175.50 1xjc s VAL 65 N 0.81 1.60 0.02 0.00 1.01 0.06 -4.98 120.40 118.91 1xjc s VAL 65 Ca -0.05 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1xjc s VAL 65 Cb -0.07 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1xjc s VAL 65 CO -0.05 0.46 -0.18 -0.70 0.00 0.00 0.00 175.10 174.63 1xjc s GLU 66 N 0.79 1.31 -0.30 2.72 -6.30 -1.26 -0.56 118.70 115.11 1xjc s GLU 66 Ca -0.10 -0.75 -0.22 0.00 -2.50 0.00 0.00 54.97 51.39 1xjc s GLU 66 Cb -0.16 -1.33 0.18 0.00 0.00 0.00 0.00 34.13 32.83 1xjc s GLU 66 CO 0.01 0.35 1.32 0.20 0.02 0.00 0.00 175.26 177.16 1xjc s GLY 67 N -0.80 0.33 -1.52 -1.50 0.00 -0.79 -5.02 107.32 98.03 1xjc s GLY 67 Ca 0.06 3.47 -0.04 0.00 0.00 0.00 0.00 44.72 48.21 1xjc s GLY 67 CO 0.01 2.16 0.40 1.22 0.00 0.00 0.00 173.10 176.89 1xjc n ASP 68 N 2.15 -5.51 0.00 1.64 8.00 -1.26 -1.47 116.55 120.10 1xjc n ASP 68 Ca -0.13 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1xjc n ASP 68 Cb 0.57 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 1xjc n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xjc n GLY 69 N -1.30 1.91 3.54 0.44 0.00 -1.26 -5.02 105.19 103.51 1xjc n GLY 69 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1xjc n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjc s LEU 70 N 0.00 4.12 -0.23 0.99 2.96 -0.54 -5.07 118.68 120.91 1xjc s LEU 70 Ca 0.00 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1xjc s LEU 70 Cb 0.00 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1xjc s LEU 70 CO 0.00 -0.12 0.03 -0.22 -1.32 0.00 0.00 176.35 174.72 1xjc s LEU 71 N 1.72 3.29 -0.22 -0.68 2.96 -1.26 -1.89 118.68 122.60 1xjc s LEU 71 Ca 0.06 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1xjc s LEU 71 Cb -0.16 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1xjc s LEU 71 CO 0.10 -0.01 0.07 -1.58 -1.32 0.00 0.00 176.35 173.61 1xjc s GLN 72 N 1.46 3.81 0.02 1.98 0.74 0.27 -4.98 119.66 122.96 1xjc s GLN 72 Ca 0.05 -0.41 0.06 0.00 0.05 0.00 0.00 55.36 55.11 1xjc s GLN 72 Cb -0.15 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 1xjc s GLN 72 CO 0.02 0.03 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.09 1xjc s LEU 73 N 1.02 2.12 -0.20 3.68 1.43 -1.26 -0.76 118.68 124.70 1xjc s LEU 73 Ca 0.04 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1xjc s LEU 73 Cb -0.14 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.22 1xjc s LEU 73 CO 0.03 0.17 -0.01 -1.00 0.23 0.00 0.00 176.35 175.77 1xjc s HIS 74 N -0.67 1.63 -0.08 0.29 3.76 -0.34 -5.01 115.29 114.87 1xjc s HIS 74 Ca 0.07 -1.22 0.04 0.00 -0.15 0.00 0.00 55.06 53.80 1xjc s HIS 74 Cb -0.08 -1.27 -0.00 0.00 1.11 0.00 0.00 32.58 32.34 1xjc s HIS 74 CO 0.01 -0.67 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.49 1xjc s LEU 75 N 1.65 2.02 -0.05 0.89 1.43 -1.26 -1.33 118.68 122.03 1xjc s LEU 75 Ca -0.03 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1xjc s LEU 75 Cb -0.17 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1xjc s LEU 75 CO -0.07 0.17 0.02 -0.60 0.23 0.00 0.00 176.35 176.10 1xjc s ARG 76 N 0.20 2.97 0.03 1.70 3.52 0.02 -5.03 118.95 122.36 1xjc s ARG 76 Ca -0.13 -0.45 -0.22 0.00 -0.13 0.00 0.00 55.73 54.80 1xjc s ARG 76 Cb -0.16 -2.79 0.05 0.00 -1.56 0.00 0.00 34.95 30.48 1xjc s ARG 76 CO 0.06 0.68 0.49 0.50 -0.81 0.00 0.00 175.30 176.22 1xjc s ARG 77 N -1.19 0.97 0.20 5.12 3.52 -1.26 -4.93 118.95 121.39 1xjc s ARG 77 Ca 0.16 -0.20 -0.10 0.00 -0.13 0.00 0.00 55.73 55.47 1xjc s ARG 77 Cb -0.12 0.44 0.26 0.00 -1.56 0.00 0.00 34.95 33.97 1xjc s ARG 77 CO 0.06 -0.33 1.75 -1.35 -0.81 0.00 0.00 175.30 174.62 1xjc h PRO 78 N 2.99 0.40 -3.09 5.12 0.11 -2.04 -3.42 132.00 132.08 1xjc h PRO 78 Ca -0.30 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.59 1xjc h PRO 78 Cb 1.20 -0.09 -0.28 0.00 0.11 0.00 0.00 31.00 31.93 1xjc h PRO 78 CO 0.41 0.27 -0.48 -1.17 -0.21 0.00 0.00 178.00 176.82 1xjc s LEU 79 N -10.39 0.67 -0.26 2.35 2.96 -1.26 -5.14 118.68 107.62 1xjc s LEU 79 Ca -0.13 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1xjc s LEU 79 Cb 0.17 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.55 1xjc s LEU 79 CO 0.74 -0.13 0.13 0.26 -1.32 0.00 0.00 176.35 176.03 1xjc s TRP 80 N 0.86 3.15 0.23 5.38 0.52 -1.26 -5.09 118.94 122.73 1xjc s TRP 80 Ca -0.06 -0.15 -0.01 0.00 0.02 0.00 0.00 56.10 55.90 1xjc s TRP 80 Cb -0.07 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.90 1xjc s TRP 80 CO -0.05 -0.25 0.43 1.03 0.02 0.00 0.00 176.95 178.13 1xjc s ARG 81 N 1.64 3.54 0.25 4.98 0.52 -1.26 -4.98 118.95 123.64 1xjc s ARG 81 Ca 0.07 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1xjc s ARG 81 Cb -0.15 -2.79 0.44 0.00 0.52 0.00 0.00 34.95 32.97 1xjc s ARG 81 CO 0.07 0.35 1.78 1.25 0.02 0.00 0.00 175.30 178.77 1xjc h LEU 82 N 1.85 0.53 -1.90 2.53 5.85 -2.00 0.11 115.31 122.28 1xjc h LEU 82 Ca -0.48 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1xjc h LEU 82 Cb 1.19 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1xjc h LEU 82 CO 0.67 0.27 0.13 0.44 -0.34 0.00 0.00 178.44 179.61 1xjc h ASP 83 N 0.65 0.11 -0.66 1.25 3.32 -1.98 -0.23 116.42 118.88 1xjc h ASP 83 Ca 0.41 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 1xjc h ASP 83 Cb 0.51 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1xjc h ASP 83 CO -0.31 0.08 0.25 0.44 -1.72 0.00 0.00 179.24 177.98 1xjc h ASP 84 N 0.13 0.92 -0.16 6.45 3.32 -1.17 -1.56 116.42 124.34 1xjc h ASP 84 Ca 0.08 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1xjc h ASP 84 Cb 0.17 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1xjc h ASP 84 CO -0.01 0.85 -0.08 0.58 -1.72 0.00 0.00 179.24 178.85 1xjc h VAL 85 N 0.94 1.31 0.00 -1.35 2.07 -0.96 -2.95 116.25 115.31 1xjc h VAL 85 Ca 0.22 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1xjc h VAL 85 Cb 0.22 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1xjc h VAL 85 CO -0.02 0.33 -0.03 -0.07 0.02 0.00 0.00 177.57 177.81 1xjc h LEU 86 N 0.01 0.00 -0.74 2.57 3.38 -0.99 -0.68 115.31 118.87 1xjc h LEU 86 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1xjc h LEU 86 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1xjc h LEU 86 CO 0.02 0.03 -0.47 0.00 0.09 0.00 0.00 178.44 178.11 1xjc h ALA 87 N 1.97 0.92 0.00 1.53 0.00 -1.11 -1.79 119.26 120.77 1xjc h ALA 87 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xjc h ALA 87 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xjc h ALA 87 CO 0.00 0.65 -0.00 -0.07 0.00 0.00 0.00 179.25 179.83 1xjc h LEU 88 N 0.31 0.00 0.00 0.00 3.38 -1.03 -3.12 115.31 114.84 1xjc h LEU 88 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1xjc h LEU 88 Cb 0.94 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1xjc h LEU 88 CO 0.08 0.00 -1.22 1.88 0.09 0.00 0.00 178.44 179.27 1xjc h TYR 89 N 0.00 0.00 -0.80 1.13 -1.99 -1.11 -3.39 116.97 110.82 1xjc h TYR 89 Ca -0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 1xjc h TYR 89 Cb 0.68 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.26 1xjc h TYR 89 CO 0.00 0.55 -0.05 0.00 -0.00 0.00 0.00 178.16 178.67 1xjc h ALA 90 N 1.45 0.76 0.00 3.88 0.00 -1.28 0.15 119.26 124.21 1xjc h ALA 90 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xjc h ALA 90 Cb 1.53 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1xjc h ALA 90 CO 0.05 -0.44 0.00 -2.30 0.00 0.00 0.00 179.25 176.56 1xjc n PRO 91 N -5.41 0.04 -0.22 0.00 -0.02 -1.26 -3.44 135.00 124.69 1xjc n PRO 91 Ca 0.14 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1xjc n PRO 91 Cb 0.49 -1.59 0.17 0.00 -0.02 0.00 0.00 33.50 32.55 1xjc n PRO 91 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xjc n LEU 92 N -1.67 2.13 -4.02 2.45 4.77 0.04 -4.96 117.00 115.74 1xjc n LEU 92 Ca 0.03 -1.07 -0.27 0.00 -0.03 0.00 0.00 56.01 54.67 1xjc n LEU 92 Cb 0.16 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1xjc n LEU 92 CO 0.13 0.48 -0.26 0.54 -1.33 0.00 0.00 177.39 176.96 1xjc n ARG 93 N 0.54 -2.95 -2.71 3.23 1.74 -1.22 -4.92 116.66 110.37 1xjc n ARG 93 Ca 0.12 0.36 -0.38 0.00 -0.77 0.00 0.00 57.85 57.19 1xjc n ARG 93 Cb 0.36 -4.43 -0.06 0.00 -1.02 0.00 0.00 32.46 27.31 1xjc n ARG 93 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xjc s LEU 94 N -7.05 4.36 0.11 0.55 1.43 -1.26 -4.82 118.68 112.01 1xjc s LEU 94 Ca 0.05 1.92 0.18 0.00 -1.03 0.00 0.00 54.13 55.26 1xjc s LEU 94 Cb -0.03 -3.96 -0.09 0.00 0.03 0.00 0.00 46.19 42.14 1xjc s LEU 94 CO 0.91 -0.11 0.92 0.44 0.23 0.00 0.00 176.35 178.73 1xjc h ASP 95 N 3.24 0.00 -3.66 2.29 3.32 -0.72 -3.43 116.42 117.45 1xjc h ASP 95 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1xjc h ASP 95 Cb 1.20 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.52 1xjc h ASP 95 CO 0.65 0.41 -0.06 -0.22 -1.72 0.00 0.00 179.24 178.30 1xjc s LEU 96 N -5.69 -0.36 -0.14 1.55 2.96 -1.10 -4.35 118.68 111.56 1xjc s LEU 96 Ca -0.02 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1xjc s LEU 96 Cb 0.09 1.99 0.02 0.00 0.50 0.00 0.00 46.19 48.79 1xjc s LEU 96 CO 0.80 -0.21 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.82 1xjc s VAL 97 N 0.72 1.35 -0.24 1.68 1.01 -0.47 -1.10 120.40 123.37 1xjc s VAL 97 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1xjc s VAL 97 Cb -0.05 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1xjc s VAL 97 CO -0.05 0.40 0.11 -0.76 0.00 0.00 0.00 175.10 174.80 1xjc s LEU 98 N 1.57 3.79 -0.20 3.92 1.43 -0.24 -0.72 118.68 128.23 1xjc s LEU 98 Ca 0.05 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1xjc s LEU 98 Cb -0.13 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 1xjc s LEU 98 CO -0.10 0.03 -0.06 -0.69 0.23 0.00 0.00 176.35 175.76 1xjc s VAL 99 N 1.27 3.36 -0.38 -1.59 1.01 0.10 -1.39 120.40 122.78 1xjc s VAL 99 Ca 0.06 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1xjc s VAL 99 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1xjc s VAL 99 CO 0.05 0.45 0.33 -0.70 0.00 0.00 0.00 175.10 175.22 1xjc s GLU 100 N 1.19 3.23 0.00 2.72 2.12 0.61 0.59 118.70 129.16 1xjc s GLU 100 Ca 0.02 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1xjc s GLU 100 Cb -0.14 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1xjc s GLU 100 CO -0.01 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 1xjc n GLY 101 N 5.10 -0.61 3.81 -1.50 0.00 -0.47 -3.23 105.19 108.28 1xjc n GLY 101 Ca -0.10 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 1xjc n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xjc n TYR 102 N 0.00 -2.36 0.22 1.61 4.01 -1.26 -4.75 117.16 114.63 1xjc n TYR 102 Ca 0.00 0.92 0.15 0.00 -0.16 0.00 0.00 57.90 58.81 1xjc n TYR 102 Cb 0.00 -4.28 0.64 0.00 -0.31 0.00 0.00 39.34 35.39 1xjc n TYR 102 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1xjc h LYS 103 N -2.18 0.00 0.00 -0.72 2.10 -1.95 0.26 116.57 114.08 1xjc h LYS 103 Ca -0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1xjc h LYS 103 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1xjc h LYS 103 CO 0.63 0.00 0.00 -0.56 -2.00 0.00 0.00 179.45 177.52 1xjc h GLN 104 N 0.00 0.00 -7.29 0.07 -0.00 -2.00 -3.43 115.11 102.46 1xjc h GLN 104 Ca 0.09 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.23 1xjc h GLN 104 Cb 1.17 0.00 0.13 0.00 -0.00 0.00 0.00 27.48 28.78 1xjc h GLN 104 CO -0.00 0.00 0.32 -1.21 -0.00 0.00 0.00 178.83 177.94 1xjc s GLU 105 N -3.21 2.23 -0.29 0.06 0.41 0.91 -4.96 118.70 113.85 1xjc s GLU 105 Ca 0.08 1.26 0.11 0.00 -0.41 0.00 0.00 54.97 56.00 1xjc s GLU 105 Cb 0.08 -1.89 0.61 0.00 -1.78 0.00 0.00 34.13 31.15 1xjc s GLU 105 CO 0.62 -1.67 1.62 0.54 -0.49 0.00 0.00 175.26 175.88 1xjc n ARG 106 N -3.38 2.77 -1.94 1.61 1.74 -1.26 -4.78 116.66 111.42 1xjc n ARG 106 Ca 0.10 -3.05 -0.32 0.00 -0.77 0.00 0.00 57.85 53.80 1xjc n ARG 106 Cb 0.53 -2.00 0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1xjc n ARG 106 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1xjc s HIS 107 N -3.07 3.05 0.32 -1.55 3.76 -1.26 -4.73 115.29 111.80 1xjc s HIS 107 Ca 0.49 1.48 -0.29 0.00 -0.15 0.00 0.00 55.06 56.59 1xjc s HIS 107 Cb 0.41 -2.96 -0.12 0.00 1.11 0.00 0.00 32.58 31.02 1xjc s HIS 107 CO 0.08 -1.10 1.47 -0.35 -0.85 0.00 0.00 174.74 173.98 1xjc n PRO 108 N -2.30 2.46 -4.14 8.40 -0.04 -1.26 -4.64 135.00 133.49 1xjc n PRO 108 Ca 0.08 0.87 -0.13 0.00 -0.04 0.00 0.00 63.50 64.28 1xjc n PRO 108 Cb 0.53 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.31 1xjc n PRO 108 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xjc s LYS 109 N -1.22 0.74 -0.17 0.54 -2.85 -0.67 -0.98 119.74 115.12 1xjc s LYS 109 Ca 0.60 -1.06 -0.05 0.00 -1.00 0.00 0.00 55.97 54.46 1xjc s LYS 109 Cb -0.53 -0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 34.81 1xjc s LYS 109 CO 0.56 0.05 -0.01 0.08 0.10 0.00 0.00 175.35 176.13 1xjc s VAL 110 N -2.31 4.11 -0.19 1.79 1.01 0.29 -0.22 120.40 124.87 1xjc s VAL 110 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1xjc s VAL 110 Cb -0.04 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1xjc s VAL 110 CO -0.01 0.48 0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1xjc s VAL 111 N 0.43 4.52 -0.18 2.92 1.01 -0.07 -1.60 120.40 127.42 1xjc s VAL 111 Ca -0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 1xjc s VAL 111 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1xjc s VAL 111 CO 0.02 0.43 0.06 -0.76 0.00 0.00 0.00 175.10 174.85 1xjc s LEU 112 N 0.68 3.79 -0.02 3.92 1.02 0.37 -0.96 118.68 127.48 1xjc s LEU 112 Ca 0.02 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.27 1xjc s LEU 112 Cb -0.13 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.12 1xjc s LEU 112 CO 0.02 0.18 -0.08 0.68 0.02 0.00 0.00 176.35 177.17 1xjc s VAL 113 N 0.35 0.65 -0.23 -1.59 -7.23 -0.71 -4.34 120.40 107.30 1xjc s VAL 113 Ca 0.03 -0.31 0.20 0.00 -1.81 0.00 0.00 61.98 60.10 1xjc s VAL 113 Cb -0.12 -0.57 0.01 0.00 0.56 0.00 0.00 36.38 36.26 1xjc s VAL 113 CO 0.00 0.20 1.09 0.03 -0.31 0.00 0.00 175.10 176.12 1xjc h ARG 114 N 6.26 0.00 -3.21 4.82 3.08 -1.89 -1.94 114.38 121.50 1xjc h ARG 114 Ca -0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1xjc h ARG 114 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 1xjc h ARG 114 CO 0.49 0.11 0.16 -1.54 -1.07 0.00 0.00 179.97 178.12 1xjc s SER 115 N -5.67 0.01 0.32 7.04 1.04 -1.26 -4.44 113.70 110.73 1xjc s SER 115 Ca 0.00 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.48 1xjc s SER 115 Cb 0.09 0.76 0.53 0.00 0.10 0.00 0.00 66.02 67.49 1xjc s SER 115 CO 0.78 -1.46 1.83 -0.08 0.98 0.00 0.00 173.24 175.29 1xjc h GLU 116 N 2.05 0.55 -0.57 4.02 4.57 -1.93 -2.18 114.58 121.09 1xjc h GLU 116 Ca -0.27 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1xjc h GLU 116 Cb 1.25 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 1xjc h GLU 116 CO 0.34 0.61 0.28 1.49 -1.18 0.00 0.00 179.01 180.55 1xjc h GLU 117 N 0.52 0.82 -0.51 1.92 4.81 -1.99 0.00 114.58 120.14 1xjc h GLU 117 Ca 0.11 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xjc h GLU 117 Cb 0.41 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1xjc h GLU 117 CO 0.02 0.66 0.31 -0.44 -0.73 0.00 0.00 179.01 178.82 1xjc h ASP 118 N 0.77 0.61 -0.54 1.04 5.19 -1.84 -2.85 116.42 118.80 1xjc h ASP 118 Ca 0.20 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 1xjc h ASP 118 Cb 0.10 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.43 1xjc h ASP 118 CO -0.03 0.49 0.20 -0.25 -3.12 0.00 0.00 179.24 176.53 1xjc h TRP 119 N 0.68 0.88 -0.69 4.55 -0.00 -0.94 -2.14 115.95 118.30 1xjc h TRP 119 Ca 0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 1xjc h TRP 119 Cb -0.01 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 28.85 1xjc h TRP 119 CO -0.03 0.70 0.44 0.00 -0.00 0.00 0.00 178.44 179.56 1xjc h ALA 120 N 1.37 1.48 -0.00 2.65 0.00 -0.78 0.16 119.26 124.14 1xjc h ALA 120 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xjc h ALA 120 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xjc h ALA 120 CO -0.01 0.47 -0.47 -1.13 0.00 0.00 0.00 179.25 178.11 1xjc n SER 121 N -4.42 0.59 -0.00 0.00 3.41 -1.00 -4.19 113.62 108.01 1xjc n SER 121 Ca 0.07 -0.36 0.05 0.00 -0.26 0.00 0.00 58.87 58.36 1xjc n SER 121 Cb 0.05 0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1xjc n SER 121 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xjc n LEU 122 N -1.36 0.30 0.19 1.04 4.77 -0.84 -4.62 117.00 116.49 1xjc n LEU 122 Ca 0.07 -0.34 0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1xjc n LEU 122 Cb 0.34 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.08 1xjc n LEU 122 CO 0.34 0.08 0.92 0.06 -1.33 0.00 0.00 177.39 177.45 1xjc h GLN 123 N 0.00 0.00 -0.29 3.23 3.07 -0.87 -2.82 115.11 117.43 1xjc h GLN 123 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xjc h GLN 123 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1xjc h GLN 123 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.64 1xjc n HIS 124 N -2.50 0.38 -1.33 0.06 8.25 -1.26 -4.93 115.22 113.89 1xjc n HIS 124 Ca 0.00 -0.19 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 1xjc n HIS 124 Cb 0.16 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.38 1xjc n HIS 124 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xjc s LEU 125 N -1.35 2.54 0.18 2.41 1.43 -1.07 -5.02 118.68 117.81 1xjc s LEU 125 Ca 0.32 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.77 1xjc s LEU 125 Cb 0.17 -4.06 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 1xjc s LEU 125 CO 0.24 -2.28 0.60 0.00 0.23 0.00 0.00 176.35 175.14 1xjc s ALA 126 N -2.99 3.52 -1.63 4.21 0.00 -1.26 -4.41 121.76 119.19 1xjc s ALA 126 Ca 0.62 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 1xjc s ALA 126 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1xjc s ALA 126 CO 0.56 0.42 0.26 -1.71 0.00 0.00 0.00 175.76 175.29 1xjc n ASN 127 N 0.67 -5.87 -4.70 0.00 2.85 -1.26 -4.65 115.26 102.30 1xjc n ASN 127 Ca -0.04 -0.13 -0.42 0.00 -0.11 0.00 0.00 54.58 53.88 1xjc n ASN 127 Cb 0.52 -4.80 -0.03 0.00 1.24 0.00 0.00 39.78 36.71 1xjc n ASN 127 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xjc s ILE 128 N -3.08 3.22 -0.08 -1.44 1.01 -1.26 -1.67 121.20 117.91 1xjc s ILE 128 Ca 0.13 0.72 0.15 0.00 0.00 0.00 0.00 60.65 61.65 1xjc s ILE 128 Cb -0.06 -3.46 -0.22 0.00 0.01 0.00 0.00 42.46 38.73 1xjc s ILE 128 CO 0.16 0.01 0.23 0.54 0.00 0.00 0.00 174.94 175.88 1xjc n ARG 129 N 5.12 0.93 -3.50 2.79 5.12 0.69 -4.87 116.66 122.95 1xjc n ARG 129 Ca 0.14 -0.09 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 1xjc n ARG 129 Cb 0.41 -1.39 -0.02 0.00 -1.16 0.00 0.00 32.46 30.31 1xjc n ARG 129 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xjc s ALA 130 N -2.81 -1.70 -0.03 7.54 0.00 -1.22 -4.31 121.76 119.24 1xjc s ALA 130 Ca -0.07 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1xjc s ALA 130 Cb 0.08 0.64 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1xjc s ALA 130 CO 0.65 -0.75 -0.15 0.08 0.00 0.00 0.00 175.76 175.59 1xjc s VAL 131 N -3.42 1.22 -0.14 0.00 1.01 -0.68 -0.89 120.40 117.50 1xjc s VAL 131 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1xjc s VAL 131 Cb -0.01 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1xjc s VAL 131 CO -0.09 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.55 1xjc s ILE 132 N -0.00 1.76 0.22 2.22 1.01 -0.13 -0.87 121.20 125.41 1xjc s ILE 132 Ca -0.02 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1xjc s ILE 132 Cb -0.10 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1xjc s ILE 132 CO 0.01 0.49 -0.01 0.00 0.00 0.00 0.00 174.94 175.43 1xjc s ALA 133 N 1.12 1.77 0.06 9.38 0.00 0.09 -1.74 121.76 132.44 1xjc s ALA 133 Ca -0.02 -1.74 0.09 0.00 0.00 0.00 0.00 51.96 50.29 1xjc s ALA 133 Cb -0.14 0.47 -0.15 0.00 0.00 0.00 0.00 23.12 23.29 1xjc s ALA 133 CO -0.06 -0.24 1.30 -1.49 0.00 0.00 0.00 175.76 175.27 1xjc h TRP 134 N 2.50 0.00 -4.00 0.00 4.06 -1.56 -2.46 115.95 114.49 1xjc h TRP 134 Ca -0.38 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.45 1xjc h TRP 134 Cb 1.22 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.26 1xjc h TRP 134 CO 0.58 0.89 -0.35 -1.83 -3.56 0.00 0.00 178.44 174.18 1xjc s GLU 135 N -2.76 1.26 0.66 0.49 -1.05 -1.26 -4.94 118.70 111.09 1xjc s GLU 135 Ca 0.01 -1.30 -0.16 0.00 -0.15 0.00 0.00 54.97 53.37 1xjc s GLU 135 Cb 0.09 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1xjc s GLU 135 CO 0.80 -0.47 1.14 -1.25 0.95 0.00 0.00 175.26 176.44 1xjc s PRO 136 N -4.03 2.72 0.12 -4.83 0.04 -1.26 -4.95 135.00 122.81 1xjc s PRO 136 Ca 0.23 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1xjc s PRO 136 Cb 0.03 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1xjc s PRO 136 CO 0.05 -1.34 0.03 -0.51 0.04 0.00 0.00 177.00 175.27 1xjc s LEU 137 N -4.76 3.53 0.70 -3.56 1.43 -1.26 -4.83 118.68 109.93 1xjc s LEU 137 Ca 0.70 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1xjc s LEU 137 Cb -0.23 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 43.83 1xjc s LEU 137 CO 0.40 0.14 1.03 -1.61 0.23 0.00 0.00 176.35 176.53 1xjc s GLU 138 N -2.61 2.29 0.74 1.70 2.02 -1.26 -4.97 118.70 116.61 1xjc s GLU 138 Ca 0.27 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.13 1xjc s GLU 138 Cb -0.11 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.98 1xjc s GLU 138 CO 0.20 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1xjc n GLY 139 N -2.94 -1.75 3.80 -1.39 0.00 -1.26 -4.84 105.19 96.82 1xjc n GLY 139 Ca 0.07 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1xjc n GLY 139 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xjc s PRO 140 N -1.25 3.15 -0.05 1.61 0.02 -1.26 -5.06 135.00 132.16 1xjc s PRO 140 Ca 0.00 1.18 -0.02 0.00 0.02 0.00 0.00 61.00 62.19 1xjc s PRO 140 Cb 0.00 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.54 1xjc s PRO 140 CO 0.00 -0.94 0.08 -1.17 -0.33 0.00 0.00 177.00 174.63 1xjc s LEU 141 N -4.77 0.34 0.00 -5.54 1.98 -1.26 -5.02 118.68 104.41 1xjc s LEU 141 Ca 0.63 0.13 0.16 0.00 -2.89 0.00 0.00 54.13 52.16 1xjc s LEU 141 Cb -0.16 -0.01 0.65 0.00 0.66 0.00 0.00 46.19 47.32 1xjc s LEU 141 CO 0.41 -0.22 1.46 0.00 -1.89 0.00 0.00 176.35 176.11 1xjc n ALA 142 N 4.98 2.52 -2.77 5.97 0.00 -1.26 -4.87 120.51 125.08 1xjc n ALA 142 Ca -0.10 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 1xjc n ALA 142 Cb 0.50 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 1xjc n ALA 142 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xjc s HIS 143 N -1.80 0.84 0.50 0.00 3.76 -1.26 -5.07 115.29 112.26 1xjc s HIS 143 Ca 0.26 -0.52 -0.23 0.00 -0.15 0.00 0.00 55.06 54.42 1xjc s HIS 143 Cb 0.13 -0.49 -0.06 0.00 1.11 0.00 0.00 32.58 33.27 1xjc s HIS 143 CO 0.20 -0.05 1.30 -1.25 -0.85 0.00 0.00 174.74 174.10 1xjc s PRO 144 N -1.80 3.42 -0.08 8.40 0.04 -1.26 -4.81 135.00 138.92 1xjc s PRO 144 Ca -0.06 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1xjc s PRO 144 Cb -0.09 -2.37 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 1xjc s PRO 144 CO 0.01 -0.92 -0.21 0.08 0.04 0.00 0.00 177.00 175.99 1xjc s VAL 145 N -1.36 1.80 0.23 -0.36 1.01 -1.26 -1.69 120.40 118.76 1xjc s VAL 145 Ca 0.67 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1xjc s VAL 145 Cb -0.37 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1xjc s VAL 145 CO 0.45 0.50 -0.18 -0.36 0.00 0.00 0.00 175.10 175.51 1xjc s PHE 146 N 0.24 1.98 0.24 5.22 0.08 -0.05 -5.00 117.98 120.70 1xjc s PHE 146 Ca -0.13 -0.45 -0.22 0.00 0.12 0.00 0.00 56.93 56.25 1xjc s PHE 146 Cb -0.16 -0.90 -0.09 0.00 -0.57 0.00 0.00 43.02 41.30 1xjc s PHE 146 CO 0.06 0.50 0.80 0.45 -0.10 0.00 0.00 175.22 176.93 1xjc s SER 147 N -3.27 7.20 0.57 1.36 0.15 -1.26 -0.73 113.70 117.72 1xjc s SER 147 Ca 0.24 1.58 0.26 0.00 0.70 0.00 0.00 55.95 58.73 1xjc s SER 147 Cb -0.03 -2.48 1.61 0.00 -1.71 0.00 0.00 66.02 63.41 1xjc s SER 147 CO 0.10 0.04 2.15 0.25 1.20 0.00 0.00 173.24 176.98 1xjc h LEU 148 N 3.51 0.00 -0.16 3.45 5.85 -1.76 -0.04 115.31 126.17 1xjc h LEU 148 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1xjc h LEU 148 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1xjc h LEU 148 CO 0.65 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 1xjc h ALA 149 N 1.89 1.00 -0.65 1.25 0.00 -1.92 -3.36 119.26 117.47 1xjc h ALA 149 Ca 0.05 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.42 1xjc h ALA 149 Cb 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.86 1xjc h ALA 149 CO -0.00 0.00 0.56 -3.47 0.00 0.00 0.00 179.25 176.34 1xjc n ASP 150 N -2.36 6.75 0.25 0.00 2.03 -0.03 -4.63 116.55 118.57 1xjc n ASP 150 Ca 0.05 -3.35 0.12 0.00 0.52 0.00 0.00 54.79 52.12 1xjc n ASP 150 Cb 0.40 -1.17 0.68 0.00 -0.72 0.00 0.00 41.12 40.31 1xjc n ASP 150 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1xjc h ASP 151 N 2.82 0.00 0.02 1.67 2.03 -1.78 -1.13 116.42 120.05 1xjc h ASP 151 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 1xjc h ASP 151 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1xjc h ASP 151 CO 1.02 0.14 0.00 0.44 -1.03 0.00 0.00 179.24 179.81 1xjc h ASP 152 N 0.00 0.00 0.00 4.15 3.32 -1.96 -1.87 116.42 120.06 1xjc h ASP 152 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 1xjc h ASP 152 Cb 0.38 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1xjc h ASP 152 CO 0.02 0.00 -1.93 1.21 -1.72 0.00 0.00 179.24 176.82 1xjc n GLU 153 N -2.72 0.38 0.18 3.56 2.13 -0.52 -4.57 120.64 119.07 1xjc n GLU 153 Ca -0.02 0.13 0.04 0.00 0.66 0.00 0.00 57.16 57.97 1xjc n GLU 153 Cb 0.06 -1.20 0.28 0.00 0.27 0.00 0.00 31.44 30.84 1xjc n GLU 153 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 1xjc h TYR 154 N -0.33 0.00 0.14 4.31 -0.00 -1.18 -2.61 116.97 117.31 1xjc h TYR 154 Ca -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.33 1xjc h TYR 154 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.19 1xjc h TYR 154 CO -0.02 0.42 -0.07 0.82 -0.00 0.00 0.00 178.16 179.31 1xjc h ILE 155 N 0.00 1.01 -0.49 -0.90 1.08 -1.61 0.46 117.51 117.06 1xjc h ILE 155 Ca -0.00 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1xjc h ILE 155 Cb 0.99 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 36.25 1xjc h ILE 155 CO 0.06 0.20 0.26 -0.65 -0.69 0.00 0.00 178.15 177.33 1xjc h PRO 156 N -0.62 0.67 -0.22 2.37 0.11 -1.76 -2.30 132.00 130.25 1xjc h PRO 156 Ca -0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1xjc h PRO 156 Cb 0.47 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1xjc h PRO 156 CO 0.03 0.50 0.11 2.35 -0.21 0.00 0.00 178.00 180.78 1xjc h TRP 157 N 0.68 0.32 0.00 0.65 7.01 -1.30 -1.39 115.95 121.91 1xjc h TRP 157 Ca 0.17 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1xjc h TRP 157 Cb 0.02 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1xjc h TRP 157 CO 0.00 0.32 0.00 1.28 -2.79 0.00 0.00 178.44 177.25 1xjc n LEU 158 N -4.84 0.64 0.00 0.65 4.77 0.14 -1.23 117.00 117.12 1xjc n LEU 158 Ca -0.03 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1xjc n LEU 158 Cb 0.10 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xjc n LEU 158 CO 0.35 0.11 0.00 -3.20 -1.33 0.00 0.00 177.39 173.32 1xjc n ASN 160 N 0.86 0.00 -0.29 -1.43 5.15 -0.53 -0.96 115.26 118.06 1xjc n ASN 160 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1xjc n ASN 160 Cb 0.11 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.42 1xjc n ASN 160 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1xjc h GLU 161 N 0.00 1.12 -0.20 1.20 4.39 -1.43 -0.08 114.58 119.58 1xjc h GLU 161 Ca 0.00 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1xjc h GLU 161 Cb 0.00 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1xjc h GLU 161 CO 0.00 0.84 0.01 0.28 -1.16 0.00 0.00 179.01 178.99 1xjc h VAL 162 N 1.11 1.24 -0.56 3.13 2.07 -1.33 -3.24 116.25 118.67 1xjc h VAL 162 Ca 0.28 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1xjc h VAL 162 Cb 0.07 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1xjc h VAL 162 CO -0.04 0.25 0.35 0.03 0.02 0.00 0.00 177.57 178.18 1xjc h ARG 163 N 0.12 0.74 -1.08 1.57 3.08 -1.73 -0.52 114.38 116.56 1xjc h ARG 163 Ca 0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xjc h ARG 163 Cb 0.36 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1xjc h ARG 163 CO 0.01 0.52 0.00 0.25 -1.07 0.00 0.00 179.97 179.67 1xjc n THR 164 N -4.67 0.54 0.00 2.04 -2.24 -0.07 -5.10 114.28 104.77 1xjc n THR 164 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1xjc n THR 164 Cb 0.04 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1xjc n THR 164 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04