#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eot s VAL 2 N 0.00 3.84 -0.08 3.84 0.11 -1.26 -3.76 120.40 123.10 3eot s VAL 2 Ca 0.00 1.34 -0.08 0.00 -2.93 0.00 0.00 61.98 60.30 3eot s VAL 2 Cb 0.00 -3.86 0.02 0.00 -1.53 0.00 0.00 36.38 31.01 3eot s VAL 2 CO 0.00 0.11 0.23 -1.10 -3.33 0.00 0.00 175.10 171.01 3eot s GLN 3 N 0.95 0.30 -0.08 1.54 -0.21 0.10 -4.96 119.66 117.29 3eot s GLN 3 Ca 0.59 0.25 0.04 0.00 0.02 0.00 0.00 55.36 56.26 3eot s GLN 3 Cb -0.31 0.14 -0.00 0.00 1.00 0.00 0.00 33.01 33.84 3eot s GLN 3 CO 0.30 -0.04 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.69 3eot s LEU 4 N -0.05 2.03 -0.13 2.90 1.43 -1.26 -1.38 118.68 122.22 3eot s LEU 4 Ca -0.02 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3eot s LEU 4 Cb -0.02 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 44.92 3eot s LEU 4 CO 0.01 0.17 -0.03 -0.69 0.23 0.00 0.00 176.35 176.03 3eot s VAL 5 N 0.24 0.81 0.25 -1.59 1.01 -0.72 -4.00 120.40 116.39 3eot s VAL 5 Ca -0.14 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3eot s VAL 5 Cb -0.16 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3eot s VAL 5 CO 0.07 0.17 0.57 -1.61 0.00 0.00 0.00 175.10 174.30 3eot s GLU 6 N 1.78 3.80 0.15 2.72 8.01 -1.26 -0.61 118.70 133.28 3eot s GLU 6 Ca 0.03 0.28 -0.13 0.00 0.01 0.00 0.00 54.97 55.16 3eot s GLU 6 Cb -0.14 -2.62 0.01 0.00 -4.31 0.00 0.00 34.13 27.07 3eot s GLU 6 CO -0.07 0.28 0.36 -1.54 0.01 0.00 0.00 175.26 174.30 3eot s SER 7 N -2.48 -0.10 0.00 -0.19 1.04 -0.33 -4.88 113.70 106.76 3eot s SER 7 Ca 0.48 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3eot s SER 7 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3eot s SER 7 CO 0.22 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.15 3eot n GLY 8 N -0.23 0.77 3.89 7.32 0.00 -1.26 -1.09 105.19 114.59 3eot n GLY 8 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3eot n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3eot s GLY 9 N -0.57 1.62 0.00 -0.02 0.00 -1.26 -4.52 107.32 102.56 3eot s GLY 9 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3eot s GLY 9 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.60 3eot n GLY 10 N -2.89 -0.26 3.75 0.20 0.00 -0.42 -4.92 105.19 100.65 3eot n GLY 10 Ca 0.06 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 3eot n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3eot s LEU 11 N 0.00 4.64 -0.08 0.99 2.96 -1.26 -1.37 118.68 124.56 3eot s LEU 11 Ca 0.00 1.94 -0.10 0.00 -0.22 0.00 0.00 54.13 55.75 3eot s LEU 11 Cb 0.00 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.10 3eot s LEU 11 CO 0.00 0.15 0.27 0.54 -1.32 0.00 0.00 176.35 175.98 3eot s VAL 12 N -1.11 0.02 0.41 1.68 0.11 0.02 -4.94 120.40 116.59 3eot s VAL 12 Ca 0.41 -0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 59.10 3eot s VAL 12 Cb -0.26 -0.43 -0.11 0.00 -1.53 0.00 0.00 36.38 34.06 3eot s VAL 12 CO 0.32 -0.08 0.95 -1.10 -3.33 0.00 0.00 175.10 171.86 3eot s GLN 13 N -0.24 4.30 0.18 1.54 -0.21 -1.26 -0.80 119.66 123.17 3eot s GLN 13 Ca -0.04 1.17 -0.33 0.00 0.02 0.00 0.00 55.36 56.19 3eot s GLN 13 Cb -0.03 -2.32 -0.14 0.00 1.00 0.00 0.00 33.01 31.52 3eot s GLN 13 CO 0.01 0.03 1.44 -2.30 -2.12 0.00 0.00 175.29 172.35 3eot n PRO 14 N -0.38 1.86 0.00 2.91 -0.02 -1.26 0.87 135.00 138.98 3eot n PRO 14 Ca 0.06 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3eot n PRO 14 Cb 0.53 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3eot n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3eot n GLY 15 N 2.68 1.93 3.73 -1.23 0.00 0.25 -4.93 105.19 107.63 3eot n GLY 15 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3eot n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3eot s GLY 16 N -2.04 1.68 0.10 -0.02 0.00 0.25 -3.87 107.32 103.42 3eot s GLY 16 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.64 3eot s GLY 16 CO 0.00 -0.26 -0.15 -0.56 0.00 0.00 0.00 173.10 172.12 3eot s SER 17 N -4.38 1.93 -0.05 1.64 0.01 -1.26 -2.42 113.70 109.17 3eot s SER 17 Ca 0.73 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 3eot s SER 17 Cb -0.06 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.13 3eot s SER 17 CO 0.55 -0.08 0.34 -0.22 0.41 0.00 0.00 173.24 174.24 3eot s LEU 18 N -2.05 0.72 -0.19 2.44 2.96 -0.02 -5.01 118.68 117.53 3eot s LEU 18 Ca 0.04 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3eot s LEU 18 Cb -0.08 1.33 0.04 0.00 0.50 0.00 0.00 46.19 47.98 3eot s LEU 18 CO 0.03 -0.38 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.99 3eot s ARG 19 N -0.94 1.97 0.09 1.98 3.52 -1.26 -0.63 118.95 123.68 3eot s ARG 19 Ca -0.10 -0.80 -0.14 0.00 -0.13 0.00 0.00 55.73 54.56 3eot s ARG 19 Cb -0.04 -2.36 -0.06 0.00 -1.56 0.00 0.00 34.95 30.92 3eot s ARG 19 CO 0.04 -0.42 0.49 -0.51 -0.81 0.00 0.00 175.30 174.08 3eot s LEU 20 N 1.43 4.40 0.12 -0.88 1.43 0.03 -4.58 118.68 120.63 3eot s LEU 20 Ca -0.01 1.02 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 3eot s LEU 20 Cb -0.16 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 3eot s LEU 20 CO -0.08 0.19 -0.23 -0.94 0.23 0.00 0.00 176.35 175.52 3eot s SER 21 N -1.50 2.86 -0.08 2.29 1.04 -0.25 -0.99 113.70 117.06 3eot s SER 21 Ca 0.32 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 56.04 3eot s SER 21 Cb -0.16 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3eot s SER 21 CO 0.18 0.10 -0.11 0.00 0.98 0.00 0.00 173.24 174.38 3eot s ALA 23 N 0.93 3.36 -0.07 0.00 0.00 0.22 -0.98 121.76 125.21 3eot s ALA 23 Ca -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 3eot s ALA 23 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3eot s ALA 23 CO 0.00 -0.74 0.11 0.00 0.00 0.00 0.00 175.76 175.13 3eot s ALA 24 N 1.67 3.74 0.01 0.00 0.00 -0.38 -1.75 121.76 125.04 3eot s ALA 24 Ca 0.06 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 3eot s ALA 24 Cb -0.16 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3eot s ALA 24 CO 0.08 0.65 0.31 -1.54 0.00 0.00 0.00 175.76 175.26 3eot s SER 25 N -1.30 -0.17 0.00 0.00 1.04 -0.48 -4.86 113.70 107.93 3eot s SER 25 Ca 0.18 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3eot s SER 25 Cb -0.12 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3eot s SER 25 CO 0.08 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3eot n GLY 26 N 1.00 0.76 3.49 7.32 0.00 -1.25 0.02 105.19 116.54 3eot n GLY 26 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 3eot n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3eot s PHE 27 N -2.22 -0.46 -0.70 1.61 -0.71 -1.26 -4.09 117.98 110.15 3eot s PHE 27 Ca 0.00 0.23 -0.27 0.00 -1.04 0.00 0.00 56.93 55.85 3eot s PHE 27 Cb 0.00 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.39 3eot s PHE 27 CO 0.00 -0.84 1.56 0.99 -1.34 0.00 0.00 175.22 175.59 3eot s THR 28 N -3.65 3.56 0.31 -4.49 2.01 -1.26 -4.85 115.64 107.27 3eot s THR 28 Ca 0.03 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 3eot s THR 28 Cb -0.02 -4.47 0.22 0.00 0.01 0.00 0.00 72.50 68.25 3eot s THR 28 CO -0.10 -1.42 1.93 0.15 -0.69 0.00 0.00 174.62 174.50 3eot h PHE 29 N 12.21 0.89 0.00 4.92 3.57 -1.96 -2.15 116.94 134.41 3eot h PHE 29 Ca -0.24 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3eot h PHE 29 Cb 1.10 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3eot h PHE 29 CO 1.10 0.62 0.00 0.66 -2.23 0.00 0.00 178.31 178.47 3eot h SER 30 N 0.91 0.00 1.80 0.41 4.64 -1.88 -2.68 113.55 116.74 3eot h SER 30 Ca 0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3eot h SER 30 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3eot h SER 30 CO -0.04 0.00 -0.07 -0.09 -0.87 0.00 0.00 176.83 175.76 3eot h ARG 31 N 0.00 0.00 -6.12 4.77 9.65 -1.77 -3.43 114.38 117.48 3eot h ARG 31 Ca 0.00 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 58.20 3eot h ARG 31 Cb 0.15 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 28.55 3eot h ARG 31 CO 0.00 0.07 -0.68 0.71 2.80 0.00 0.00 179.97 182.87 3eot s TYR 32 N -3.24 2.98 0.03 2.20 1.51 -1.01 -4.81 117.35 115.01 3eot s TYR 32 Ca 0.06 0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 55.87 3eot s TYR 32 Cb 0.06 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 3eot s TYR 32 CO 0.67 0.36 1.12 0.99 -1.11 0.00 0.00 175.55 177.58 3eot s THR 33 N -0.83 4.33 0.11 -0.71 2.01 -1.26 -4.00 115.64 115.29 3eot s THR 33 Ca 0.13 1.67 0.11 0.00 0.31 0.00 0.00 61.69 63.91 3eot s THR 33 Cb -0.11 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3eot s THR 33 CO 0.02 0.12 -0.27 -0.04 -0.69 0.00 0.00 174.62 173.77 3eot s MET 34 N 1.09 1.48 0.15 4.92 1.00 -0.75 -1.11 119.30 126.09 3eot s MET 34 Ca 0.56 -1.30 0.01 0.00 0.00 0.00 0.00 55.69 54.96 3eot s MET 34 Cb -0.26 -1.92 -0.04 0.00 0.00 0.00 0.00 34.83 32.60 3eot s MET 34 CO 0.28 0.46 0.02 -1.12 0.00 0.00 0.00 175.02 174.67 3eot s SER 35 N -1.91 0.85 -0.10 3.03 0.01 -0.85 -0.76 113.70 113.97 3eot s SER 35 Ca 0.14 -1.18 0.01 0.00 1.31 0.00 0.00 55.95 56.23 3eot s SER 35 Cb -0.10 0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 3eot s SER 35 CO 0.05 -0.63 -0.11 0.26 0.41 0.00 0.00 173.24 173.22 3eot s TRP 36 N -3.81 2.82 -0.04 2.43 0.52 -0.03 -1.28 118.94 119.55 3eot s TRP 36 Ca 0.23 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.04 3eot s TRP 36 Cb 0.07 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.61 3eot s TRP 36 CO 0.02 0.01 -0.18 0.08 0.02 0.00 0.00 176.95 176.91 3eot s VAL 37 N -0.16 1.50 0.22 4.03 1.01 -0.01 -1.18 120.40 125.82 3eot s VAL 37 Ca 0.00 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.32 3eot s VAL 37 Cb -0.13 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3eot s VAL 37 CO 0.03 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 3eot s ARG 38 N -0.04 2.00 -0.19 2.72 1.70 -0.04 0.61 118.95 125.71 3eot s ARG 38 Ca -0.02 -1.42 -0.05 0.00 -0.47 0.00 0.00 55.73 53.77 3eot s ARG 38 Cb -0.11 -2.06 0.07 0.00 -0.57 0.00 0.00 34.95 32.28 3eot s ARG 38 CO 0.02 0.40 0.13 -1.14 -1.08 0.00 0.00 175.30 173.62 3eot s GLN 39 N -3.15 0.10 0.57 3.89 0.74 0.53 -1.03 119.66 121.31 3eot s GLN 39 Ca 0.27 -0.05 -0.19 0.00 0.05 0.00 0.00 55.36 55.45 3eot s GLN 39 Cb -0.07 -1.62 -0.05 0.00 1.10 0.00 0.00 33.01 32.36 3eot s GLN 39 CO 0.16 -0.70 1.13 0.00 -0.55 0.00 0.00 175.29 175.33 3eot s ALA 40 N 2.18 2.65 -0.08 1.58 0.00 -1.26 -0.99 121.76 125.84 3eot s ALA 40 Ca 0.04 0.79 -0.38 0.00 0.00 0.00 0.00 51.96 52.41 3eot s ALA 40 Cb -0.16 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 3eot s ALA 40 CO -0.12 -0.88 1.60 -2.30 0.00 0.00 0.00 175.76 174.06 3eot n PRO 41 N -1.51 1.38 -0.89 0.00 -0.02 -1.26 -0.71 135.00 131.99 3eot n PRO 41 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3eot n PRO 41 Cb 0.51 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3eot n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3eot n GLY 42 N 3.53 0.73 0.00 -1.23 0.00 -1.26 -4.98 105.19 101.98 3eot n GLY 42 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3eot n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3eot n LYS 43 N -2.01 2.12 -2.87 1.61 5.02 0.11 -5.15 118.16 117.00 3eot n LYS 43 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 3eot n LYS 43 Cb 0.01 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.09 3eot n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3eot s GLY 44 N -1.04 1.76 0.32 0.72 0.00 -1.26 -4.69 107.32 103.13 3eot s GLY 44 Ca 0.00 -1.95 -0.27 0.00 0.00 0.00 0.00 44.72 42.49 3eot s GLY 44 CO 0.00 -1.48 1.08 1.08 0.00 0.00 0.00 173.10 173.79 3eot s LEU 45 N -4.82 4.40 -0.04 0.66 1.43 -1.26 -4.23 118.68 114.82 3eot s LEU 45 Ca 0.63 2.19 -0.02 0.00 -1.03 0.00 0.00 54.13 55.90 3eot s LEU 45 Cb -0.06 -3.83 0.03 0.00 0.03 0.00 0.00 46.19 42.36 3eot s LEU 45 CO 0.40 -0.28 0.06 -0.70 0.23 0.00 0.00 176.35 176.07 3eot s GLU 46 N -1.83 -0.06 0.33 1.70 2.12 -0.20 -4.99 118.70 115.77 3eot s GLU 46 Ca 0.49 0.35 -0.29 0.00 0.36 0.00 0.00 54.97 55.89 3eot s GLU 46 Cb -0.28 -0.42 -0.10 0.00 0.26 0.00 0.00 34.13 33.58 3eot s GLU 46 CO 0.36 -0.29 1.31 -0.46 -0.54 0.00 0.00 175.26 175.64 3eot s TRP 47 N 1.91 3.05 -0.04 5.30 -0.00 -1.26 -0.86 118.94 127.03 3eot s TRP 47 Ca 0.01 1.40 -0.03 0.00 -0.00 0.00 0.00 56.10 57.48 3eot s TRP 47 Cb -0.12 -3.68 -0.02 0.00 -0.00 0.00 0.00 33.47 29.64 3eot s TRP 47 CO -0.03 -1.88 -0.08 0.28 -0.00 0.00 0.00 176.95 175.24 3eot n VAL 48 N 0.85 0.52 -3.49 5.86 0.31 -0.32 -4.66 118.33 117.39 3eot n VAL 48 Ca 0.00 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3eot n VAL 48 Cb 0.42 -1.62 -0.04 0.00 -0.91 0.00 0.00 33.84 31.69 3eot n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3eot s ALA 49 N -2.13 -1.74 0.02 3.52 0.00 -1.17 -0.54 121.76 119.72 3eot s ALA 49 Ca -0.08 1.07 0.02 0.00 0.00 0.00 0.00 51.96 52.97 3eot s ALA 49 Cb 0.03 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 3eot s ALA 49 CO 0.10 -0.51 -0.07 0.99 0.00 0.00 0.00 175.76 176.27 3eot s THR 50 N -2.14 0.49 -0.09 0.00 2.01 -0.54 -0.85 115.64 114.52 3eot s THR 50 Ca -0.05 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 3eot s THR 50 Cb -0.00 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 72.02 3eot s THR 50 CO 0.00 -0.19 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.18 3eot s ILE 51 N -0.90 0.74 0.85 1.82 2.07 0.06 -1.07 121.20 124.76 3eot s ILE 51 Ca -0.05 -0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 58.94 3eot s ILE 51 Cb -0.07 -0.80 0.10 0.00 0.13 0.00 0.00 42.46 41.82 3eot s ILE 51 CO 0.00 0.31 1.10 -0.94 -1.91 0.00 0.00 174.94 173.50 3eot s SER 52 N 1.63 3.80 0.50 4.50 1.04 0.60 -1.80 113.70 123.97 3eot s SER 52 Ca 0.02 1.75 0.33 0.00 0.48 0.00 0.00 55.95 58.53 3eot s SER 52 Cb -0.13 -2.40 1.76 0.00 0.10 0.00 0.00 66.02 65.35 3eot s SER 52 CO -0.05 -2.47 2.02 1.23 0.98 0.00 0.00 173.24 174.95 3eot h GLY 53 N -1.43 0.00 -0.79 7.32 0.00 -1.83 0.20 103.07 106.55 3eot h GLY 53 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3eot h GLY 53 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 3eot n GLY 54 N -0.99 0.26 1.85 4.60 0.00 -1.26 -4.92 105.19 104.73 3eot n GLY 54 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3eot n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eot n GLY 55 N 1.14 1.37 3.74 -0.02 0.00 0.06 -5.02 105.19 106.46 3eot n GLY 55 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3eot n GLY 55 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3eot s HIS 56 N -2.91 3.56 0.18 1.61 5.65 -1.26 -4.69 115.29 117.43 3eot s HIS 56 Ca 0.00 1.57 0.11 0.00 0.25 0.00 0.00 55.06 57.00 3eot s HIS 56 Cb 0.00 -3.31 -0.04 0.00 -1.18 0.00 0.00 32.58 28.05 3eot s HIS 56 CO 0.00 -0.73 -0.24 0.95 -0.65 0.00 0.00 174.74 174.08 3eot s THR 57 N -0.30 2.39 0.00 0.89 -4.23 -1.26 -0.29 115.64 112.84 3eot s THR 57 Ca 0.50 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 3eot s THR 57 Cb -0.30 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3eot s THR 57 CO 0.36 -0.09 0.01 -0.31 -0.54 0.00 0.00 174.62 174.05 3eot s TYR 58 N -1.59 0.09 0.02 3.99 2.02 -0.23 -4.97 117.35 116.67 3eot s TYR 58 Ca 0.20 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 3eot s TYR 58 Cb -0.08 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.39 3eot s TYR 58 CO 0.10 -0.10 -0.07 0.71 -1.57 0.00 0.00 175.55 174.61 3eot s TYR 59 N -0.67 0.60 0.34 2.71 2.02 -1.26 -1.46 117.35 119.63 3eot s TYR 59 Ca -0.07 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.07 3eot s TYR 59 Cb -0.05 -0.37 -0.11 0.00 -0.40 0.00 0.00 41.96 41.03 3eot s TYR 59 CO -0.00 -0.04 1.54 -0.11 -1.57 0.00 0.00 175.55 175.37 3eot n LEU 60 N 2.29 4.64 -0.23 -1.29 7.94 0.29 -4.88 117.00 125.75 3eot n LEU 60 Ca -0.17 1.20 0.04 0.00 -1.11 0.00 0.00 56.01 55.96 3eot n LEU 60 Cb 0.57 -1.61 0.16 0.00 0.53 0.00 0.00 43.42 43.06 3eot n LEU 60 CO 0.23 0.17 0.96 0.44 -1.11 0.00 0.00 177.39 178.08 3eot h ASP 61 N 3.72 0.11 0.28 1.96 3.32 -1.95 -1.18 116.42 122.67 3eot h ASP 61 Ca -0.49 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3eot h ASP 61 Cb 1.23 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3eot h ASP 61 CO 0.70 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.71 3eot n SER 62 N -5.09 0.00 -0.14 6.45 3.41 -1.26 -1.65 113.62 115.34 3eot n SER 62 Ca 0.12 -0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.57 3eot n SER 62 Cb 0.40 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 3eot n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3eot n VAL 63 N -1.21 0.12 -1.68 -3.33 0.24 -0.48 -4.95 118.33 107.04 3eot n VAL 63 Ca 0.11 -0.56 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 3eot n VAL 63 Cb 0.14 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 3eot n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3eot n LYS 64 N 0.14 2.86 0.00 7.34 3.00 -0.66 -1.14 118.16 129.70 3eot n LYS 64 Ca 0.02 1.04 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 3eot n LYS 64 Cb 0.11 -2.96 0.00 0.00 0.00 0.00 0.00 35.03 32.18 3eot n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3eot n GLY 65 N 4.37 2.23 0.09 3.14 0.00 -1.26 -4.79 105.19 108.97 3eot n GLY 65 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3eot n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3eot n ARG 66 N -2.00 0.57 -4.04 1.61 1.74 -0.66 -5.00 116.66 108.88 3eot n ARG 66 Ca 0.00 0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 3eot n ARG 66 Cb 0.00 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 3eot n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3eot s PHE 67 N -2.36 3.37 -0.09 -1.55 0.40 -0.29 -1.28 117.98 116.18 3eot s PHE 67 Ca -0.23 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 3eot s PHE 67 Cb 0.06 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.84 3eot s PHE 67 CO 0.43 0.59 -0.08 0.99 0.70 0.00 0.00 175.22 177.85 3eot s THR 68 N -1.21 0.97 -0.16 0.64 2.01 0.47 -4.84 115.64 113.51 3eot s THR 68 Ca 0.23 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 3eot s THR 68 Cb -0.12 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 3eot s THR 68 CO 0.14 0.34 0.11 -0.51 -0.69 0.00 0.00 174.62 174.02 3eot s ILE 69 N 1.33 5.25 0.28 1.82 2.07 -1.26 -0.19 121.20 130.49 3eot s ILE 69 Ca -0.03 0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 3eot s ILE 69 Cb -0.14 -3.34 -0.01 0.00 0.13 0.00 0.00 42.46 39.10 3eot s ILE 69 CO -0.04 0.51 0.39 -0.94 -1.91 0.00 0.00 174.94 172.95 3eot s SER 70 N -0.16 0.45 0.00 4.50 1.04 -0.91 -4.98 113.70 113.64 3eot s SER 70 Ca 0.10 -1.29 -0.12 0.00 0.48 0.00 0.00 55.95 55.11 3eot s SER 70 Cb -0.12 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.59 3eot s SER 70 CO 0.01 -1.13 0.25 0.00 0.98 0.00 0.00 173.24 173.35 3eot s ARG 71 N -3.65 0.64 -0.39 4.02 1.70 -1.26 -0.31 118.95 119.69 3eot s ARG 71 Ca 0.30 -0.34 0.03 0.00 -0.47 0.00 0.00 55.73 55.25 3eot s ARG 71 Cb 0.01 0.28 0.11 0.00 -0.57 0.00 0.00 34.95 34.78 3eot s ARG 71 CO 0.15 -0.18 0.12 0.34 -1.08 0.00 0.00 175.30 174.66 3eot s ASP 72 N -1.53 4.73 0.55 -2.89 3.68 0.53 -4.98 116.67 116.77 3eot s ASP 72 Ca -0.12 -2.36 0.33 0.00 2.13 0.00 0.00 52.55 52.53 3eot s ASP 72 Cb -0.05 -1.66 1.55 0.00 -1.45 0.00 0.00 42.92 41.32 3eot s ASP 72 CO 0.02 -0.36 2.07 0.78 0.13 0.00 0.00 175.17 177.80 3eot h ASN 73 N 7.39 0.00 1.21 -0.34 -0.26 -1.96 -0.78 115.58 120.84 3eot h ASN 73 Ca -0.06 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.56 3eot h ASN 73 Cb 0.99 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.23 3eot h ASN 73 CO 0.58 0.07 -0.60 0.77 -1.06 0.00 0.00 177.43 177.19 3eot h SER 74 N 0.00 0.00 -0.18 5.81 4.64 -1.95 -3.11 113.55 118.77 3eot h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3eot h SER 74 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3eot h SER 74 CO 0.01 0.60 0.00 0.29 -0.87 0.00 0.00 176.83 176.86 3eot n LYS 75 N -3.34 2.15 -3.84 4.77 5.02 -0.74 -4.97 118.16 117.20 3eot n LYS 75 Ca 0.01 -1.96 -0.26 0.00 -2.02 0.00 0.00 58.31 54.08 3eot n LYS 75 Cb 0.73 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 34.33 3eot n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3eot n ASN 76 N 1.26 -2.70 -4.07 4.39 5.03 -0.37 -4.81 115.26 113.98 3eot n ASN 76 Ca 0.15 -0.83 -0.23 0.00 0.87 0.00 0.00 54.58 54.54 3eot n ASN 76 Cb 0.55 -3.81 -0.16 0.00 -1.02 0.00 0.00 39.78 35.34 3eot n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3eot s THR 77 N -3.53 1.06 0.03 3.41 2.01 -0.82 -1.25 115.64 116.54 3eot s THR 77 Ca 0.32 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3eot s THR 77 Cb -0.16 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 3eot s THR 77 CO 0.83 0.31 0.09 -0.22 -0.69 0.00 0.00 174.62 174.95 3eot s LEU 78 N 0.01 3.89 0.11 4.42 2.96 -0.16 -0.35 118.68 129.57 3eot s LEU 78 Ca -0.01 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.06 3eot s LEU 78 Cb -0.09 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 3eot s LEU 78 CO 0.01 0.22 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.79 3eot s TYR 79 N -1.30 1.50 -0.16 5.38 2.02 0.57 0.33 117.35 125.70 3eot s TYR 79 Ca 0.26 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 3eot s TYR 79 Cb -0.12 -0.80 0.05 0.00 -0.40 0.00 0.00 41.96 40.69 3eot s TYR 79 CO 0.18 0.16 0.01 -1.17 -1.57 0.00 0.00 175.55 173.17 3eot s LEU 80 N -2.19 1.11 -0.26 -1.29 2.96 -0.16 -2.15 118.68 116.70 3eot s LEU 80 Ca 0.07 -0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 53.20 3eot s LEU 80 Cb -0.07 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 3eot s LEU 80 CO 0.04 -0.26 0.42 -1.58 -1.32 0.00 0.00 176.35 173.65 3eot s GLN 81 N 1.85 4.05 -0.23 1.98 2.00 0.73 -0.79 119.66 129.25 3eot s GLN 81 Ca 0.01 0.15 -0.00 0.00 -2.00 0.00 0.00 55.36 53.51 3eot s GLN 81 Cb -0.16 -3.64 0.03 0.00 0.80 0.00 0.00 33.01 30.04 3eot s GLN 81 CO -0.07 -0.28 -0.10 -1.64 -0.50 0.00 0.00 175.29 172.70 3eot s MET 82 N 2.09 2.78 0.31 1.67 -1.94 0.20 -0.40 119.30 124.01 3eot s MET 82 Ca 0.17 -1.00 0.10 0.00 -1.71 0.00 0.00 55.69 53.25 3eot s MET 82 Cb -0.16 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 3eot s MET 82 CO 0.09 -0.38 -0.05 -0.80 -0.01 0.00 0.00 175.02 173.88 3eot s ASN 83 N 1.28 4.09 -1.45 3.03 0.01 -0.41 -0.84 114.94 120.66 3eot s ASN 83 Ca -0.00 -0.94 -0.09 0.00 -0.71 0.00 0.00 52.86 51.12 3eot s ASN 83 Cb -0.16 -0.53 0.03 0.00 0.41 0.00 0.00 41.25 40.99 3eot s ASN 83 CO -0.06 -0.12 0.92 -1.20 -1.51 0.00 0.00 177.10 175.13 3eot n SER 84 N -0.85 -5.79 -4.75 -1.22 7.64 -1.10 -4.65 113.62 102.90 3eot n SER 84 Ca -0.05 -0.51 -0.41 0.00 1.01 0.00 0.00 58.87 58.91 3eot n SER 84 Cb 0.61 -4.61 -0.01 0.00 -1.01 0.00 0.00 64.21 59.19 3eot n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3eot s LEU 85 N -7.07 4.34 0.32 -3.43 1.43 -1.02 -4.56 118.68 108.70 3eot s LEU 85 Ca 0.51 2.96 0.08 0.00 -1.03 0.00 0.00 54.13 56.65 3eot s LEU 85 Cb -0.24 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 3eot s LEU 85 CO 0.63 -0.91 0.19 -0.13 0.23 0.00 0.00 176.35 176.36 3eot s ARG 86 N -0.73 2.54 0.49 1.70 0.52 -1.26 -0.58 118.95 121.63 3eot s ARG 86 Ca 0.62 -1.40 0.18 0.00 -0.52 0.00 0.00 55.73 54.61 3eot s ARG 86 Cb -0.48 -2.32 1.22 0.00 0.52 0.00 0.00 34.95 33.90 3eot s ARG 86 CO 0.50 0.16 2.04 0.00 0.02 0.00 0.00 175.30 178.01 3eot h ALA 87 N 1.47 2.18 0.00 2.13 0.00 -1.96 0.46 119.26 123.53 3eot h ALA 87 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3eot h ALA 87 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3eot h ALA 87 CO 0.61 -0.28 0.00 -0.85 0.00 0.00 0.00 179.25 178.73 3eot n GLU 88 N -4.45 0.08 0.00 0.00 0.28 -1.26 -2.27 120.64 113.01 3eot n GLU 88 Ca 0.06 0.21 0.12 0.00 -0.16 0.00 0.00 57.16 57.39 3eot n GLU 88 Cb 0.37 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 31.96 3eot n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3eot n ASP 89 N -1.42 0.90 -4.69 -1.84 8.00 0.15 -4.88 116.55 112.76 3eot n ASP 89 Ca 0.05 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 3eot n ASP 89 Cb 0.15 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3eot n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3eot s THR 90 N -2.78 2.74 -0.08 -3.53 2.01 -0.96 -4.89 115.64 108.15 3eot s THR 90 Ca 0.16 0.20 -0.32 0.00 0.31 0.00 0.00 61.69 62.03 3eot s THR 90 Cb 0.18 -3.13 0.13 0.00 0.01 0.00 0.00 72.50 69.69 3eot s THR 90 CO 0.65 -0.00 1.31 0.00 -0.69 0.00 0.00 174.62 175.88 3eot s ALA 91 N 2.83 -2.25 -0.09 7.40 0.00 -0.53 -4.40 121.76 124.72 3eot s ALA 91 Ca 0.79 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 53.49 3eot s ALA 91 Cb -0.44 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3eot s ALA 91 CO 0.35 -0.93 0.82 0.08 0.00 0.00 0.00 175.76 176.07 3eot s VAL 92 N -2.33 4.94 -0.23 0.00 1.01 -0.16 -0.54 120.40 123.09 3eot s VAL 92 Ca 0.13 1.66 -0.08 0.00 0.00 0.00 0.00 61.98 63.69 3eot s VAL 92 Cb 0.04 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3eot s VAL 92 CO -0.04 0.14 0.10 -0.31 0.00 0.00 0.00 175.10 174.98 3eot s TYR 93 N 1.39 3.19 -0.12 5.22 1.51 -0.11 -0.35 117.35 128.09 3eot s TYR 93 Ca 0.41 -0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 56.36 3eot s TYR 93 Cb -0.18 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 3eot s TYR 93 CO 0.18 -0.09 -0.02 0.71 -1.11 0.00 0.00 175.55 175.22 3eot s TYR 94 N 1.12 3.09 0.07 2.71 2.02 0.20 -1.74 117.35 124.82 3eot s TYR 94 Ca 0.05 -0.02 -0.20 0.00 -0.37 0.00 0.00 57.07 56.53 3eot s TYR 94 Cb -0.14 -1.87 -0.07 0.00 -0.40 0.00 0.00 41.96 39.48 3eot s TYR 94 CO 0.04 0.24 0.60 0.00 -1.57 0.00 0.00 175.55 174.85 3eot s THR 96 N -0.92 0.97 -0.09 0.00 -4.23 -0.40 -0.13 115.64 110.84 3eot s THR 96 Ca 0.30 -1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 59.52 3eot s THR 96 Cb -0.20 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3eot s THR 96 CO 0.19 -0.23 0.22 -0.60 -0.54 0.00 0.00 174.62 173.67 3eot s ARG 97 N -1.60 3.59 -0.11 3.99 3.52 0.13 -2.00 118.95 126.47 3eot s ARG 97 Ca -0.03 0.02 -0.04 0.00 -0.13 0.00 0.00 55.73 55.55 3eot s ARG 97 Cb -0.10 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 3eot s ARG 97 CO 0.02 0.75 0.05 0.20 -0.81 0.00 0.00 175.30 175.51 3eot s GLY 98 N -1.02 1.96 0.26 8.12 0.00 -0.27 -1.79 107.32 114.58 3eot s GLY 98 Ca 0.17 -0.75 -0.24 0.00 0.00 0.00 0.00 44.72 43.91 3eot s GLY 98 CO 0.07 -0.43 0.85 -0.12 0.00 0.00 0.00 173.10 173.47 3eot s PHE 99 N -0.77 3.74 0.00 1.90 2.19 0.48 -4.41 117.98 121.10 3eot s PHE 99 Ca 0.12 1.65 0.00 0.00 0.33 0.00 0.00 56.93 59.04 3eot s PHE 99 Cb -0.12 -2.81 0.00 0.00 -1.31 0.00 0.00 43.02 38.78 3eot s PHE 99 CO 0.03 0.32 0.00 0.41 1.83 0.00 0.00 175.22 177.80 3eot n GLY 100 N 0.84 3.96 0.00 13.12 0.00 -1.26 -1.18 105.19 120.67 3eot n GLY 100 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3eot n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3eot n ASP 101 N 6.78 0.00 0.00 1.61 5.68 -1.26 -4.69 116.55 124.68 3eot n ASP 101 Ca 0.00 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.66 3eot n ASP 101 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3eot n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3eot n GLY 102 N 0.10 0.43 0.08 6.12 0.00 -0.33 -4.94 105.19 106.65 3eot n GLY 102 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3eot n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3eot h GLY 103 N 0.00 0.09 -6.53 -0.02 0.00 -1.88 -3.38 103.07 91.35 3eot h GLY 103 Ca 0.00 -0.22 -0.57 0.00 0.00 0.00 0.00 47.33 46.54 3eot h GLY 103 CO 0.00 0.20 0.87 -0.47 0.00 0.00 0.00 176.54 177.14 3eot s TYR 104 N -2.76 2.89 -0.84 5.60 6.14 -1.26 -4.93 117.35 122.19 3eot s TYR 104 Ca -0.01 0.77 -0.20 0.00 0.64 0.00 0.00 57.07 58.28 3eot s TYR 104 Cb 0.09 -4.24 0.11 0.00 0.42 0.00 0.00 41.96 38.35 3eot s TYR 104 CO 0.83 -1.15 1.06 -0.06 0.64 0.00 0.00 175.55 176.87 3eot s PHE 105 N 4.22 3.01 -0.86 4.97 0.08 -1.26 -0.39 117.98 127.75 3eot s PHE 105 Ca 0.46 -1.16 0.24 0.00 0.12 0.00 0.00 56.93 56.59 3eot s PHE 105 Cb -0.08 -4.27 0.31 0.00 -0.57 0.00 0.00 43.02 38.42 3eot s PHE 105 CO 0.28 -1.51 1.27 -0.40 -0.10 0.00 0.00 175.22 174.76 3eot n ASP 106 N 6.80 0.60 -3.78 1.36 5.75 -0.74 -4.80 116.55 121.75 3eot n ASP 106 Ca 0.15 -0.25 -0.14 0.00 -0.01 0.00 0.00 54.79 54.54 3eot n ASP 106 Cb 0.48 0.42 -0.15 0.00 -1.03 0.00 0.00 41.12 40.83 3eot n ASP 106 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3eot s VAL 107 N -3.07 -0.05 0.04 2.12 1.01 -1.24 -5.00 120.40 114.21 3eot s VAL 107 Ca 0.08 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.33 3eot s VAL 107 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.39 3eot s VAL 107 CO 0.74 0.07 -0.26 0.26 0.00 0.00 0.00 175.10 175.92 3eot s TRP 108 N 0.96 2.34 0.97 5.22 0.52 -1.26 -0.70 118.94 127.00 3eot s TRP 108 Ca -0.08 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.52 3eot s TRP 108 Cb -0.11 -1.41 0.17 0.00 -1.15 0.00 0.00 33.47 30.98 3eot s TRP 108 CO -0.03 0.12 1.10 0.20 0.02 0.00 0.00 176.95 178.36 3eot s GLY 109 N -1.21 1.57 0.48 0.98 0.00 0.82 -4.58 107.32 105.38 3eot s GLY 109 Ca 0.12 -0.37 0.29 0.00 0.00 0.00 0.00 44.72 44.76 3eot s GLY 109 CO 0.02 0.22 1.82 0.06 0.00 0.00 0.00 173.10 175.22 3eot h GLN 110 N -1.77 0.00 0.00 2.90 -0.00 -1.90 -3.44 115.11 110.89 3eot h GLN 110 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 3eot h GLN 110 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 3eot h GLN 110 CO 0.58 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.82 3eot n GLY 111 N 0.48 1.57 3.03 0.06 0.00 -1.26 -5.03 105.19 104.04 3eot n GLY 111 Ca 0.02 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 3eot n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3eot s THR 112 N -1.76 1.04 -0.10 2.61 -1.32 -0.71 -4.89 115.64 110.51 3eot s THR 112 Ca 0.00 -0.46 -0.25 0.00 -1.21 0.00 0.00 61.69 59.77 3eot s THR 112 Cb 0.00 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 3eot s THR 112 CO 0.00 0.32 0.79 -0.22 -2.21 0.00 0.00 174.62 173.30 3eot s LEU 113 N 0.40 4.26 -0.22 9.08 2.96 -1.26 -0.93 118.68 132.96 3eot s LEU 113 Ca -0.08 1.24 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 3eot s LEU 113 Cb -0.12 -3.21 -0.00 0.00 0.50 0.00 0.00 46.19 43.35 3eot s LEU 113 CO 0.02 -0.25 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.06 3eot s VAL 114 N 1.39 3.27 -0.28 1.68 1.01 0.30 -1.30 120.40 126.47 3eot s VAL 114 Ca 0.40 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 3eot s VAL 114 Cb -0.18 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3eot s VAL 114 CO 0.17 0.40 0.01 -0.89 0.00 0.00 0.00 175.10 174.79 3eot s THR 115 N 1.45 3.35 -0.45 3.92 2.01 -0.47 -1.45 115.64 124.00 3eot s THR 115 Ca 0.05 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 3eot s THR 115 Cb -0.14 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.65 3eot s THR 115 CO -0.04 0.08 0.48 -0.69 -0.69 0.00 0.00 174.62 173.76 3eot s VAL 116 N 1.38 5.06 -0.09 3.82 1.01 -1.26 -0.80 120.40 129.52 3eot s VAL 116 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3eot s VAL 116 Cb -0.18 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.16 3eot s VAL 116 CO -0.01 -0.56 0.74 -0.55 0.00 0.00 0.00 175.10 174.72 3eot s SER 117 N 2.19 -0.63 0.42 3.32 0.15 0.02 -4.65 113.70 114.53 3eot s SER 117 Ca 0.11 0.76 0.24 0.00 0.70 0.00 0.00 55.95 57.76 3eot s SER 117 Cb -0.19 0.61 0.49 0.00 -1.71 0.00 0.00 66.02 65.22 3eot s SER 117 CO 0.12 -0.52 1.66 0.28 1.20 0.00 0.00 173.24 175.98 3eot h SER 118 N 3.18 0.00 -4.14 5.45 0.02 -1.95 -3.36 113.55 112.75 3eot h SER 118 Ca -0.26 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.14 3eot h SER 118 Cb 1.15 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.86 3eot h SER 118 CO 0.34 0.00 0.43 0.00 -1.14 0.00 0.00 176.83 176.46 3eot n ALA 119 N -2.06 0.61 -2.24 3.77 0.00 -1.26 -4.98 120.51 114.35 3eot n ALA 119 Ca 0.04 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 3eot n ALA 119 Cb 0.50 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3eot n ALA 119 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3eot s LYS 120 N -3.70 4.00 0.19 0.00 1.02 -1.26 -5.01 119.74 114.99 3eot s LYS 120 Ca 0.79 0.58 -0.33 0.00 0.02 0.00 0.00 55.97 57.03 3eot s LYS 120 Cb -0.34 -2.68 -0.13 0.00 -0.52 0.00 0.00 37.83 34.16 3eot s LYS 120 CO 0.45 0.31 1.62 2.41 -0.92 0.00 0.00 175.35 179.23 3eot n THR 121 N 0.17 0.13 -3.75 2.17 -1.04 -1.26 -4.71 114.28 105.99 3eot n THR 121 Ca -0.00 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.05 61.77 3eot n THR 121 Cb 0.52 -1.73 -0.18 0.00 -1.82 0.00 0.00 70.33 67.12 3eot n THR 121 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3eot s THR 122 N 0.88 0.12 0.68 12.58 2.01 0.70 -4.93 115.64 127.69 3eot s THR 122 Ca 0.76 0.26 -0.15 0.00 0.31 0.00 0.00 61.69 62.86 3eot s THR 122 Cb -0.60 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 71.61 3eot s THR 122 CO 0.37 0.20 1.14 -2.16 -0.69 0.00 0.00 174.62 173.48 3eot s PRO 123 N 1.90 2.60 0.34 4.92 0.04 -1.26 -1.10 135.00 142.44 3eot s PRO 123 Ca 0.03 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 3eot s PRO 123 Cb -0.12 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3eot s PRO 123 CO -0.04 -1.42 1.01 -1.25 0.04 0.00 0.00 177.00 175.34 3eot s PRO 124 N -4.05 4.46 -0.17 0.56 0.04 -1.26 -4.32 135.00 130.25 3eot s PRO 124 Ca 0.69 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 3eot s PRO 124 Cb -0.23 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 3eot s PRO 124 CO 0.43 0.13 0.56 -1.12 0.04 0.00 0.00 177.00 177.03 3eot s SER 125 N -1.46 6.66 -0.20 6.66 0.01 0.63 -4.89 113.70 121.11 3eot s SER 125 Ca 0.52 0.80 -0.05 0.00 1.31 0.00 0.00 55.95 58.53 3eot s SER 125 Cb -0.22 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 3eot s SER 125 CO 0.28 -0.16 -0.01 -0.69 0.41 0.00 0.00 173.24 173.07 3eot s VAL 126 N 1.40 3.79 -0.11 3.43 1.01 -1.26 -0.18 120.40 128.49 3eot s VAL 126 Ca 0.27 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3eot s VAL 126 Cb -0.16 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 3eot s VAL 126 CO 0.11 0.43 -0.22 -0.31 0.00 0.00 0.00 175.10 175.10 3eot s TYR 127 N 1.12 2.60 0.09 5.22 1.51 0.22 -4.99 117.35 123.13 3eot s TYR 127 Ca 0.02 -0.99 -0.30 0.00 -1.01 0.00 0.00 57.07 54.79 3eot s TYR 127 Cb -0.14 -1.73 -0.06 0.00 -0.11 0.00 0.00 41.96 39.91 3eot s TYR 127 CO 0.01 -0.39 1.14 -1.25 -1.11 0.00 0.00 175.55 173.94 3eot s PRO 128 N 0.36 4.50 -0.55 -1.71 0.04 -1.26 -1.37 135.00 135.00 3eot s PRO 128 Ca -0.17 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 3eot s PRO 128 Cb -0.18 -3.34 0.14 0.00 0.04 0.00 0.00 34.50 31.16 3eot s PRO 128 CO 0.08 -0.12 0.41 -0.51 0.04 0.00 0.00 177.00 176.90 3eot s LEU 129 N 0.60 5.70 0.07 -3.56 1.43 0.11 -4.94 118.68 118.09 3eot s LEU 129 Ca 0.55 -2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 51.38 3eot s LEU 129 Cb -0.28 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3eot s LEU 129 CO 0.31 -0.59 0.26 0.00 0.23 0.00 0.00 176.35 176.56 3eot s ALA 130 N 0.87 3.92 0.00 4.21 0.00 -1.26 -0.75 121.76 128.74 3eot s ALA 130 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3eot s ALA 130 Cb -0.22 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3eot s ALA 130 CO -0.03 0.75 0.00 -0.35 0.00 0.00 0.00 175.76 176.13 3eot n PRO 131 N 0.41 0.00 0.00 0.00 -0.04 -1.26 -4.95 135.00 129.16 3eot n PRO 131 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3eot n PRO 131 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3eot n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3eot n SER 139 N 0.00 0.00 -3.97 3.54 2.88 -1.26 -5.02 113.62 109.79 3eot n SER 139 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3eot n SER 139 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 3eot n SER 139 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3eot s MET 140 N 0.00 1.89 -0.14 -1.46 1.00 -1.26 0.37 119.30 119.71 3eot s MET 140 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 55.69 55.18 3eot s MET 140 Cb 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 34.83 32.99 3eot s MET 140 CO 0.00 -0.21 0.20 0.14 0.00 0.00 0.00 175.02 175.14 3eot s VAL 141 N 1.48 5.38 -0.18 -6.03 -7.23 0.59 -4.82 120.40 109.60 3eot s VAL 141 Ca 0.02 0.34 -0.06 0.00 -1.81 0.00 0.00 61.98 60.48 3eot s VAL 141 Cb -0.13 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 3eot s VAL 141 CO -0.08 0.52 0.02 -0.89 -0.31 0.00 0.00 175.10 174.36 3eot s THR 142 N -0.33 4.31 0.35 5.32 2.01 -1.26 -1.23 115.64 124.79 3eot s THR 142 Ca 0.14 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.02 3eot s THR 142 Cb -0.12 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 3eot s THR 142 CO 0.03 0.46 0.05 -0.76 -0.69 0.00 0.00 174.62 173.71 3eot s LEU 143 N 0.50 3.04 0.05 4.42 1.43 0.24 -4.59 118.68 123.78 3eot s LEU 143 Ca 0.00 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 3eot s LEU 143 Cb -0.13 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3eot s LEU 143 CO 0.02 -0.27 -0.03 -0.83 0.23 0.00 0.00 176.35 175.47 3eot s GLY 144 N -3.75 0.46 -0.07 -3.19 0.00 0.07 -1.24 107.32 99.59 3eot s GLY 144 Ca 0.36 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3eot s GLY 144 CO 0.20 -1.28 -0.10 0.00 0.00 0.00 0.00 173.10 171.92 3eot s LEU 146 N 0.97 3.20 -0.37 0.00 2.96 -0.47 -1.37 118.68 123.59 3eot s LEU 146 Ca -0.09 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3eot s LEU 146 Cb -0.15 -1.82 0.09 0.00 0.50 0.00 0.00 46.19 44.82 3eot s LEU 146 CO 0.00 0.02 0.13 -0.69 -1.32 0.00 0.00 176.35 174.49 3eot s VAL 147 N 1.24 3.04 -0.05 1.68 1.01 -0.24 -0.61 120.40 126.49 3eot s VAL 147 Ca 0.04 -1.95 0.07 0.00 0.00 0.00 0.00 61.98 60.13 3eot s VAL 147 Cb -0.15 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3eot s VAL 147 CO 0.01 -0.54 -0.25 -0.75 0.00 0.00 0.00 175.10 173.58 3eot s LYS 148 N 1.13 2.36 0.00 2.72 2.20 0.75 -1.27 119.74 127.62 3eot s LYS 148 Ca 0.06 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3eot s LYS 148 Cb -0.21 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 3eot s LYS 148 CO -0.04 0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 3eot n GLY 149 N 2.81 0.90 3.66 5.54 0.00 0.17 -0.27 105.19 118.00 3eot n GLY 149 Ca -0.17 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 3eot n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3eot s TYR 150 N -2.71 2.67 -0.28 1.61 -0.85 -0.78 -4.53 117.35 112.48 3eot s TYR 150 Ca 0.00 -0.29 -0.24 0.00 -0.52 0.00 0.00 57.07 56.02 3eot s TYR 150 Cb 0.00 -1.32 0.11 0.00 0.38 0.00 0.00 41.96 41.12 3eot s TYR 150 CO 0.00 0.54 0.92 0.12 -1.52 0.00 0.00 175.55 175.62 3eot s PHE 151 N -2.38 -0.60 0.71 -3.49 2.19 -0.26 0.06 117.98 114.22 3eot s PHE 151 Ca 0.33 1.42 -0.08 0.00 0.33 0.00 0.00 56.93 58.93 3eot s PHE 151 Cb -0.05 0.35 0.16 0.00 -1.31 0.00 0.00 43.02 42.17 3eot s PHE 151 CO 0.20 -0.29 0.97 -0.35 1.83 0.00 0.00 175.22 177.59 3eot n PRO 152 N 2.52 -0.60 -1.07 10.12 -0.04 -1.26 -0.21 135.00 144.45 3eot n PRO 152 Ca -0.14 -1.91 -0.30 0.00 -0.04 0.00 0.00 63.50 61.11 3eot n PRO 152 Cb 0.56 -0.87 0.13 0.00 -0.04 0.00 0.00 33.50 33.28 3eot n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3eot s GLU 153 N -5.05 1.43 0.45 0.54 0.41 -1.26 -4.73 118.70 110.49 3eot s GLU 153 Ca 0.58 1.11 0.04 0.00 -0.41 0.00 0.00 54.97 56.29 3eot s GLU 153 Cb -0.02 -1.81 0.01 0.00 -1.78 0.00 0.00 34.13 30.53 3eot s GLU 153 CO 0.40 -2.20 0.64 -1.25 -0.49 0.00 0.00 175.26 172.36 3eot s PRO 154 N -4.83 2.84 0.22 0.39 0.04 -1.26 -4.93 135.00 127.48 3eot s PRO 154 Ca 0.64 -0.86 0.10 0.00 0.04 0.00 0.00 61.00 60.91 3eot s PRO 154 Cb -0.19 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3eot s PRO 154 CO 0.57 -0.36 -0.08 0.14 0.04 0.00 0.00 177.00 177.31 3eot s VAL 155 N -2.51 3.16 -0.12 -0.36 -7.23 -1.26 -4.49 120.40 107.59 3eot s VAL 155 Ca 0.52 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3eot s VAL 155 Cb -0.10 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 3eot s VAL 155 CO 0.36 -0.24 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.92 3eot s THR 156 N -2.02 3.38 -0.14 5.32 2.01 -0.18 -4.96 115.64 119.05 3eot s THR 156 Ca 0.28 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.74 3eot s THR 156 Cb -0.07 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 70.02 3eot s THR 156 CO 0.17 0.53 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.74 3eot s VAL 157 N 0.12 1.90 0.23 3.82 1.01 -1.26 -1.60 120.40 124.61 3eot s VAL 157 Ca -0.04 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3eot s VAL 157 Cb -0.14 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3eot s VAL 157 CO 0.04 0.52 -0.07 0.42 0.00 0.00 0.00 175.10 176.00 3eot s THR 158 N 0.96 1.44 -0.18 3.92 -4.23 -0.73 -4.98 115.64 111.84 3eot s THR 158 Ca -0.05 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 3eot s THR 158 Cb -0.15 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3eot s THR 158 CO -0.04 -0.46 -0.14 0.26 -0.54 0.00 0.00 174.62 173.71 3eot s TRP 159 N -3.16 2.83 -1.24 3.99 0.52 -1.26 -0.38 118.94 120.24 3eot s TRP 159 Ca 0.25 -1.18 -0.02 0.00 0.02 0.00 0.00 56.10 55.18 3eot s TRP 159 Cb 0.03 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 3eot s TRP 159 CO 0.08 -0.58 0.83 0.09 0.02 0.00 0.00 176.95 177.38 3eot n ASN 160 N 4.40 -2.14 -1.04 2.95 3.02 0.27 -2.05 115.26 120.68 3eot n ASN 160 Ca -0.19 -0.75 -0.11 0.00 -0.03 0.00 0.00 54.58 53.50 3eot n ASN 160 Cb 0.51 -4.50 -0.05 0.00 -0.61 0.00 0.00 39.78 35.13 3eot n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3eot n SER 161 N -3.08 -3.95 0.00 6.41 7.64 -1.26 -1.67 113.62 117.70 3eot n SER 161 Ca -0.27 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3eot n SER 161 Cb 0.67 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 3eot n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3eot n GLY 162 N -0.01 2.29 0.24 0.23 0.00 -0.98 -4.96 105.19 102.01 3eot n GLY 162 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 3eot n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3eot h SER 163 N 0.00 0.22 -2.78 1.61 4.64 -1.35 -3.33 113.55 112.55 3eot h SER 163 Ca 0.00 -0.04 -0.68 0.00 -0.47 0.00 0.00 61.79 60.60 3eot h SER 163 Cb 0.00 -0.06 -0.18 0.00 -0.31 0.00 0.00 62.40 61.85 3eot h SER 163 CO 0.00 0.35 0.37 -0.22 -0.87 0.00 0.00 176.83 176.46 3eot s LEU 164 N -8.82 5.06 -0.08 5.97 1.98 -0.87 -4.80 118.68 117.11 3eot s LEU 164 Ca -0.06 -1.43 -0.02 0.00 -2.89 0.00 0.00 54.13 49.73 3eot s LEU 164 Cb 0.16 -2.35 -0.04 0.00 0.66 0.00 0.00 46.19 44.61 3eot s LEU 164 CO 0.73 -1.20 -0.09 -1.54 -1.89 0.00 0.00 176.35 172.36 3eot n SER 165 N 6.73 1.86 -4.81 3.68 3.41 -1.25 -4.14 113.62 119.10 3eot n SER 165 Ca -0.02 0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 3eot n SER 165 Cb 0.45 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3eot n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3eot s SER 166 N -5.32 6.29 -0.67 4.04 0.15 -1.26 -3.75 113.70 113.17 3eot s SER 166 Ca -0.11 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.37 3eot s SER 166 Cb 0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 3eot s SER 166 CO 0.17 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.40 3eot n GLY 167 N -0.64 0.77 3.50 9.45 0.00 -1.26 -4.78 105.19 112.23 3eot n GLY 167 Ca 0.09 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3eot n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3eot s VAL 168 N -2.25 3.91 -0.24 1.61 1.01 -1.25 -1.58 120.40 121.61 3eot s VAL 168 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3eot s VAL 168 Cb 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3eot s VAL 168 CO 0.00 0.49 -0.13 -1.00 0.00 0.00 0.00 175.10 174.46 3eot s HIS 169 N 0.39 3.10 -0.29 5.22 3.76 -0.92 -5.01 115.29 121.53 3eot s HIS 169 Ca -0.04 -2.01 -0.08 0.00 -0.15 0.00 0.00 55.06 52.78 3eot s HIS 169 Cb -0.14 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 3eot s HIS 169 CO 0.03 -0.84 0.12 0.99 -0.85 0.00 0.00 174.74 174.19 3eot s THR 170 N 1.19 4.43 0.16 1.30 2.01 -1.26 -1.00 115.64 122.47 3eot s THR 170 Ca -0.03 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.39 3eot s THR 170 Cb -0.17 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 3eot s THR 170 CO -0.07 0.16 0.70 -0.36 -0.69 0.00 0.00 174.62 174.36 3eot s PHE 171 N 1.60 3.79 0.52 4.92 0.40 -0.37 -5.01 117.98 123.83 3eot s PHE 171 Ca 0.05 1.45 -0.22 0.00 -0.60 0.00 0.00 56.93 57.60 3eot s PHE 171 Cb -0.16 -2.64 -0.06 0.00 0.51 0.00 0.00 43.02 40.66 3eot s PHE 171 CO 0.05 0.47 1.26 -0.35 0.70 0.00 0.00 175.22 177.35 3eot n PRO 172 N 1.32 1.62 -2.26 0.24 -0.04 -1.26 -4.28 135.00 130.33 3eot n PRO 172 Ca -0.06 0.59 -0.35 0.00 -0.04 0.00 0.00 63.50 63.65 3eot n PRO 172 Cb 0.50 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3eot n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3eot s ALA 173 N -1.30 2.70 -0.12 0.55 0.00 -1.26 -4.82 121.76 117.51 3eot s ALA 173 Ca 0.69 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 53.42 3eot s ALA 173 Cb -0.45 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 3eot s ALA 173 CO 0.52 -0.75 -0.06 0.08 0.00 0.00 0.00 175.76 175.55 3eot s VAL 174 N -1.82 3.76 -0.08 0.00 1.01 -0.00 -4.92 120.40 118.36 3eot s VAL 174 Ca 0.72 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 3eot s VAL 174 Cb -0.23 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3eot s VAL 174 CO 0.27 0.54 0.43 -0.22 0.00 0.00 0.00 175.10 176.13 3eot s LEU 175 N -0.14 4.35 -0.18 3.92 2.96 -1.26 -1.40 118.68 126.93 3eot s LEU 175 Ca 0.02 0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 54.73 3eot s LEU 175 Cb -0.13 -2.62 0.09 0.00 0.50 0.00 0.00 46.19 44.03 3eot s LEU 175 CO 0.03 0.14 0.31 -1.58 -1.32 0.00 0.00 176.35 173.92 3eot s GLN 176 N -0.05 0.24 -1.27 1.98 0.74 0.25 -4.92 119.66 116.63 3eot s GLN 176 Ca 0.24 0.65 -0.01 0.00 0.05 0.00 0.00 55.36 56.30 3eot s GLN 176 Cb -0.16 -0.28 -0.00 0.00 1.10 0.00 0.00 33.01 33.67 3eot s GLN 176 CO 0.11 -0.43 0.78 0.43 -0.55 0.00 0.00 175.29 175.62 3eot n SER 177 N 5.36 -1.60 -0.95 6.67 7.64 -1.26 -2.11 113.62 127.37 3eot n SER 177 Ca -0.06 -0.77 -0.12 0.00 1.01 0.00 0.00 58.87 58.92 3eot n SER 177 Cb 0.50 -4.33 -0.05 0.00 -1.01 0.00 0.00 64.21 59.32 3eot n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3eot n ASP 178 N -3.07 -5.12 -4.04 6.43 8.00 -1.26 -4.97 116.55 112.52 3eot n ASP 178 Ca -0.29 0.31 -0.24 0.00 0.71 0.00 0.00 54.79 55.28 3eot n ASP 178 Cb 0.67 -3.72 -0.16 0.00 -0.02 0.00 0.00 41.12 37.89 3eot n ASP 178 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3eot s LEU 179 N -2.83 1.73 0.21 0.64 1.43 -0.90 -4.68 118.68 114.29 3eot s LEU 179 Ca 0.00 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3eot s LEU 179 Cb 0.00 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 3eot s LEU 179 CO 0.00 0.06 0.56 -0.31 0.23 0.00 0.00 176.35 176.90 3eot s TYR 180 N 0.42 3.47 -0.01 0.29 1.51 0.11 -0.59 117.35 122.56 3eot s TYR 180 Ca -0.09 0.95 0.01 0.00 -1.01 0.00 0.00 57.07 56.93 3eot s TYR 180 Cb -0.13 -2.31 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 3eot s TYR 180 CO 0.02 0.30 -0.04 0.99 -1.11 0.00 0.00 175.55 175.72 3eot s THR 181 N -1.74 0.34 0.25 -0.71 2.01 -0.49 -0.66 115.64 114.64 3eot s THR 181 Ca 0.45 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.32 3eot s THR 181 Cb -0.12 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 3eot s THR 181 CO 0.20 0.11 0.13 -1.48 -0.69 0.00 0.00 174.62 172.90 3eot s LEU 182 N 0.13 1.47 0.07 4.42 0.05 -0.39 -0.82 118.68 123.61 3eot s LEU 182 Ca -0.01 -1.44 -0.00 0.00 0.05 0.00 0.00 54.13 52.72 3eot s LEU 182 Cb -0.04 0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 44.28 3eot s LEU 182 CO -0.00 -0.82 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.01 3eot s SER 183 N -3.27 0.63 -0.04 1.48 1.04 -1.26 -1.08 113.70 111.20 3eot s SER 183 Ca 0.38 -1.03 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 3eot s SER 183 Cb 0.07 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.40 3eot s SER 183 CO 0.15 -0.59 0.08 -0.55 0.98 0.00 0.00 173.24 173.31 3eot s SER 184 N -2.97 -0.02 0.14 7.02 0.15 -0.47 -1.23 113.70 116.32 3eot s SER 184 Ca 0.10 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.94 3eot s SER 184 Cb 0.07 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 3eot s SER 184 CO -0.07 -0.11 0.19 -0.94 1.20 0.00 0.00 173.24 173.51 3eot s SER 185 N 0.87 5.89 -0.02 5.45 1.04 -0.17 -0.98 113.70 125.77 3eot s SER 185 Ca -0.07 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.39 3eot s SER 185 Cb -0.10 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.38 3eot s SER 185 CO -0.03 0.08 -0.01 0.54 0.98 0.00 0.00 173.24 174.80 3eot s VAL 186 N -1.69 0.16 -0.23 5.02 0.11 -0.38 -2.18 120.40 121.22 3eot s VAL 186 Ca 0.32 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.35 3eot s VAL 186 Cb -0.11 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 3eot s VAL 186 CO 0.25 0.10 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.23 3eot s THR 187 N 0.60 3.68 0.26 5.04 2.01 -0.62 -0.59 115.64 126.03 3eot s THR 187 Ca -0.06 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.61 3eot s THR 187 Cb -0.09 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 3eot s THR 187 CO -0.01 0.40 -0.05 0.68 -0.69 0.00 0.00 174.62 174.94 3eot s VAL 188 N 1.49 1.50 0.35 3.82 -7.23 -0.37 -4.74 120.40 115.22 3eot s VAL 188 Ca 0.06 -2.11 -0.28 0.00 -1.81 0.00 0.00 61.98 57.83 3eot s VAL 188 Cb -0.14 -2.37 -0.11 0.00 0.56 0.00 0.00 36.38 34.32 3eot s VAL 188 CO -0.01 -0.34 1.40 -2.16 -0.31 0.00 0.00 175.10 173.68 3eot s PRO 189 N -3.75 4.23 0.08 4.82 0.04 -1.26 -0.30 135.00 138.86 3eot s PRO 189 Ca 0.28 2.40 0.05 0.00 0.04 0.00 0.00 61.00 63.77 3eot s PRO 189 Cb 0.04 -3.02 0.28 0.00 0.04 0.00 0.00 34.50 31.84 3eot s PRO 189 CO 0.10 -0.37 1.15 -1.13 0.04 0.00 0.00 177.00 176.80 3eot n SER 190 N 0.67 0.13 0.00 6.66 3.41 0.16 -0.08 113.62 124.58 3eot n SER 190 Ca 0.01 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3eot n SER 190 Cb 0.40 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.83 3eot n SER 190 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3eot n SER 191 N -1.68 0.76 0.01 4.04 3.41 -1.26 -4.00 113.62 114.90 3eot n SER 191 Ca -0.00 -0.64 -0.09 0.00 -0.26 0.00 0.00 58.87 57.88 3eot n SER 191 Cb 0.02 0.65 -0.13 0.00 -0.26 0.00 0.00 64.21 64.48 3eot n SER 191 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3eot h THR 192 N 0.00 1.13 -4.02 6.66 2.02 -0.84 -3.40 112.91 114.46 3eot h THR 192 Ca 0.00 -2.93 -0.45 0.00 0.77 0.00 0.00 66.41 63.80 3eot h THR 192 Cb 0.50 2.57 -0.30 0.00 -1.74 0.00 0.00 68.15 69.19 3eot h THR 192 CO 0.00 0.66 -0.80 0.86 0.37 0.00 0.00 175.52 176.61 3eot s TRP 193 N -2.63 1.06 -1.28 3.16 -0.00 -1.19 0.49 118.94 118.55 3eot s TRP 193 Ca -0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 56.10 55.84 3eot s TRP 193 Cb 0.09 -0.71 0.01 0.00 -0.00 0.00 0.00 33.47 32.85 3eot s TRP 193 CO 0.82 -0.05 0.65 -0.35 -0.00 0.00 0.00 176.95 178.02 3eot n PRO 194 N 2.96 1.02 0.09 5.86 -0.04 -1.26 -4.68 135.00 138.95 3eot n PRO 194 Ca -0.15 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 3eot n PRO 194 Cb 0.55 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 3eot n PRO 194 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3eot h SER 195 N 0.03 -1.30 -2.17 3.54 0.87 -1.72 -3.42 113.55 109.38 3eot h SER 195 Ca 0.00 0.14 -0.53 0.00 -1.23 0.00 0.00 61.79 60.17 3eot h SER 195 Cb 0.37 0.48 -0.07 0.00 -0.44 0.00 0.00 62.40 62.74 3eot h SER 195 CO 0.00 -0.45 -0.57 -1.61 -0.53 0.00 0.00 176.83 173.67 3eot s GLU 196 N -5.23 2.63 0.26 2.24 8.01 0.18 -5.07 118.70 121.72 3eot s GLU 196 Ca -0.13 -1.24 -0.30 0.00 0.01 0.00 0.00 54.97 53.31 3eot s GLU 196 Cb 0.05 -2.37 -0.10 0.00 -4.31 0.00 0.00 34.13 27.40 3eot s GLU 196 CO 0.49 0.36 1.40 0.99 0.01 0.00 0.00 175.26 178.51 3eot s THR 197 N -2.24 2.73 -0.09 3.63 2.01 -1.26 -4.51 115.64 115.91 3eot s THR 197 Ca 0.33 0.63 0.04 0.00 0.31 0.00 0.00 61.69 63.00 3eot s THR 197 Cb -0.07 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.04 3eot s THR 197 CO 0.23 0.11 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.34 3eot s VAL 198 N -0.20 2.08 0.03 3.82 1.01 -1.26 -5.01 120.40 120.87 3eot s VAL 198 Ca 0.57 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3eot s VAL 198 Cb -0.41 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3eot s VAL 198 CO 0.45 0.56 -0.06 0.42 0.00 0.00 0.00 175.10 176.47 3eot s THR 199 N 0.21 0.42 -0.13 3.92 -4.23 -1.26 -0.36 115.64 114.21 3eot s THR 199 Ca -0.15 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3eot s THR 199 Cb -0.17 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 3eot s THR 199 CO 0.08 -0.28 0.03 0.00 -0.54 0.00 0.00 174.62 173.90 3eot s ASN 201 N -0.35 4.56 -0.16 0.00 0.01 0.49 -1.73 114.94 117.76 3eot s ASN 201 Ca 0.08 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 51.93 3eot s ASN 201 Cb -0.12 -1.79 0.01 0.00 0.41 0.00 0.00 41.25 39.76 3eot s ASN 201 CO 0.02 0.01 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.74 3eot s VAL 202 N 1.34 2.32 -0.11 1.60 1.01 -0.32 -1.78 120.40 124.46 3eot s VAL 202 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3eot s VAL 202 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3eot s VAL 202 CO -0.00 0.53 -0.13 0.00 0.00 0.00 0.00 175.10 175.50 3eot s ALA 203 N 1.00 2.65 -0.53 5.51 0.00 -0.63 -1.51 121.76 128.26 3eot s ALA 203 Ca -0.02 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.07 3eot s ALA 203 Cb -0.15 -1.18 0.15 0.00 0.00 0.00 0.00 23.12 21.94 3eot s ALA 203 CO -0.05 0.31 0.35 -1.58 0.00 0.00 0.00 175.76 174.79 3eot s HIS 204 N 0.12 2.46 0.53 0.00 2.46 0.72 -1.01 115.29 120.57 3eot s HIS 204 Ca -0.06 -2.79 0.28 0.00 0.47 0.00 0.00 55.06 52.96 3eot s HIS 204 Cb -0.15 -2.07 1.66 0.00 -0.13 0.00 0.00 32.58 31.89 3eot s HIS 204 CO 0.05 -0.71 2.19 -1.00 -2.47 0.00 0.00 174.74 172.79 3eot h PRO 205 N 6.05 0.00 -0.50 2.88 0.13 -1.79 -1.37 132.00 137.41 3eot h PRO 205 Ca 0.09 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.30 3eot h PRO 205 Cb 0.86 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 3eot h PRO 205 CO 0.56 0.04 0.34 0.00 -0.23 0.00 0.00 178.00 178.71 3eot h ALA 206 N 1.96 2.01 -0.22 -0.56 0.00 -1.91 -0.91 119.26 119.61 3eot h ALA 206 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3eot h ALA 206 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3eot h ALA 206 CO 0.01 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3eot n SER 207 N -4.47 2.59 -0.22 0.00 3.41 -0.76 -4.95 113.62 109.22 3eot n SER 207 Ca 0.07 -1.99 -0.03 0.00 -0.26 0.00 0.00 58.87 56.66 3eot n SER 207 Cb 0.31 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3eot n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3eot n SER 208 N 0.17 -5.69 -4.71 4.04 7.64 -0.35 -4.92 113.62 109.79 3eot n SER 208 Ca 0.08 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.61 3eot n SER 208 Cb 0.36 -3.45 -0.03 0.00 -1.01 0.00 0.00 64.21 60.09 3eot n SER 208 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3eot s THR 209 N -1.33 2.79 -0.06 0.44 2.01 -0.69 -4.90 115.64 113.90 3eot s THR 209 Ca 0.00 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 3eot s THR 209 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.20 3eot s THR 209 CO 0.00 0.04 0.10 -0.54 -0.69 0.00 0.00 174.62 173.52 3eot s LYS 210 N 1.32 -0.04 0.01 4.92 1.02 -1.26 -0.20 119.74 125.51 3eot s LYS 210 Ca 0.70 0.44 -0.00 0.00 0.02 0.00 0.00 55.97 57.12 3eot s LYS 210 Cb -0.42 -0.42 -0.01 0.00 -0.52 0.00 0.00 37.83 36.46 3eot s LYS 210 CO 0.31 -0.32 -0.01 0.14 -0.92 0.00 0.00 175.35 174.56 3eot s VAL 211 N 2.17 0.07 -0.05 3.17 -7.23 -0.57 -5.02 120.40 112.93 3eot s VAL 211 Ca 0.04 -0.54 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 3eot s VAL 211 Cb -0.12 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.63 3eot s VAL 211 CO -0.04 -0.30 -0.23 -1.81 -0.31 0.00 0.00 175.10 172.41 3eot s ASP 212 N -0.88 3.23 -0.25 4.85 1.01 -1.26 -1.18 116.67 122.20 3eot s ASP 212 Ca -0.10 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.72 3eot s ASP 212 Cb -0.06 -0.78 0.06 0.00 1.01 0.00 0.00 42.92 43.16 3eot s ASP 212 CO -0.00 0.27 -0.06 -0.75 0.21 0.00 0.00 175.17 174.84 3eot s LYS 213 N -0.30 1.71 0.33 8.23 2.47 -0.71 -4.99 119.74 126.50 3eot s LYS 213 Ca 0.01 -1.11 -0.28 0.00 -1.56 0.00 0.00 55.97 53.02 3eot s LYS 213 Cb -0.13 -2.66 -0.10 0.00 -1.46 0.00 0.00 37.83 33.48 3eot s LYS 213 CO 0.02 -0.62 1.25 0.21 0.16 0.00 0.00 175.35 176.37 3eot s LYS 214 N 1.32 4.36 -0.40 4.03 2.20 -1.26 -2.08 119.74 127.90 3eot s LYS 214 Ca -0.05 2.08 -0.23 0.00 -0.36 0.00 0.00 55.97 57.41 3eot s LYS 214 Cb -0.19 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3eot s LYS 214 CO -0.07 -0.13 0.78 0.42 -0.36 0.00 0.00 175.35 175.99 3eot s ILE 215 N -1.18 4.69 -0.09 5.43 -1.09 0.52 -4.86 121.20 124.61 3eot s ILE 215 Ca 0.49 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3eot s ILE 215 Cb -0.37 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.23 3eot s ILE 215 CO 0.49 -0.55 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.86 3eot s VAL 216 N 3.19 3.50 0.71 2.92 1.01 -1.26 -4.62 120.40 125.86 3eot s VAL 216 Ca 0.31 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3eot s VAL 216 Cb -0.13 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.83 3eot s VAL 216 CO 0.19 0.56 1.19 -2.16 0.00 0.00 0.00 175.10 174.89 3eot s PRO 217 N -0.34 2.27 0.48 2.72 0.04 -1.26 -4.76 135.00 134.15 3eot s PRO 217 Ca 0.04 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 3eot s PRO 217 Cb -0.12 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3eot s PRO 217 CO 0.02 -1.73 0.93 1.03 0.04 0.00 0.00 177.00 177.30 3eot s ARG 218 N -3.91 3.93 0.00 4.56 0.52 -1.26 -5.13 118.95 117.67 3eot s ARG 218 Ca 0.73 0.86 0.29 0.00 -0.52 0.00 0.00 55.73 57.09 3eot s ARG 218 Cb -0.28 -2.20 1.23 0.00 0.52 0.00 0.00 34.95 34.22 3eot s ARG 218 CO 0.44 -0.20 1.85 -0.25 0.02 0.00 0.00 175.30 177.16