#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 20gs s TYR 3 N 0.00 3.12 -0.14 0.54 2.02 -1.26 -2.26 117.35 119.38 20gs s TYR 3 Ca 0.00 0.15 -0.08 0.00 -0.37 0.00 0.00 57.07 56.78 20gs s TYR 3 Cb 0.00 -1.76 0.05 0.00 -0.40 0.00 0.00 41.96 39.86 20gs s TYR 3 CO 0.00 0.45 0.33 0.99 -1.57 0.00 0.00 175.55 175.76 20gs s THR 4 N -0.92 -0.03 -0.11 -0.71 2.01 -0.81 -0.94 115.64 114.14 20gs s THR 4 Ca 0.15 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.29 20gs s THR 4 Cb -0.11 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 20gs s THR 4 CO 0.04 0.05 -0.20 0.68 -0.69 0.00 0.00 174.62 174.50 20gs s VAL 5 N 1.28 2.46 -0.30 3.82 -7.23 -0.68 -0.75 120.40 119.00 20gs s VAL 5 Ca -0.09 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.16 20gs s VAL 5 Cb -0.09 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 34.91 20gs s VAL 5 CO -0.10 0.55 0.03 -0.69 -0.31 0.00 0.00 175.10 174.58 20gs s VAL 6 N 0.26 3.38 0.26 1.32 1.01 -0.05 -0.74 120.40 125.84 20gs s VAL 6 Ca -0.14 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.61 20gs s VAL 6 Cb -0.17 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 20gs s VAL 6 CO 0.07 -0.04 0.48 -0.47 0.00 0.00 0.00 175.10 175.14 20gs s TYR 7 N 1.35 0.47 0.93 5.22 5.04 -1.00 -2.13 117.35 127.24 20gs s TYR 7 Ca -0.02 -0.83 -0.12 0.00 -2.44 0.00 0.00 57.07 53.66 20gs s TYR 7 Cb -0.19 0.16 0.15 0.00 0.35 0.00 0.00 41.96 42.43 20gs s TYR 7 CO 0.00 -1.03 1.10 -0.06 -1.34 0.00 0.00 175.55 174.22 20gs s PHE 8 N -3.82 2.31 -1.51 4.97 0.08 -1.26 -0.72 117.98 118.04 20gs s PHE 8 Ca 0.24 1.07 -0.10 0.00 0.12 0.00 0.00 56.93 58.25 20gs s PHE 8 Cb -0.01 -3.24 -0.07 0.00 -0.57 0.00 0.00 43.02 39.14 20gs s PHE 8 CO 0.11 -2.54 2.73 -0.35 -0.10 0.00 0.00 175.22 175.07 20gs n PRO 9 N -3.94 3.35 -4.14 0.24 -0.04 -1.25 -4.75 135.00 124.47 20gs n PRO 9 Ca 0.06 -2.18 -0.11 0.00 -0.04 0.00 0.00 63.50 61.23 20gs n PRO 9 Cb 0.57 -2.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.09 20gs n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 20gs s VAL 10 N 2.53 0.01 -0.13 0.52 -7.23 -1.26 -4.31 120.40 110.53 20gs s VAL 10 Ca 0.63 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 20gs s VAL 10 Cb 0.16 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.64 20gs s VAL 10 CO -0.06 -0.03 0.16 0.03 -0.31 0.00 0.00 175.10 174.89 20gs h ARG 11 N 2.53 0.00 0.00 4.82 3.08 -1.23 -3.46 114.38 120.12 20gs h ARG 11 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 20gs h ARG 11 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 20gs h ARG 11 CO 0.48 0.32 0.00 0.41 -1.07 0.00 0.00 179.97 180.11 20gs n GLY 12 N 1.67 1.65 0.00 0.04 0.00 -0.28 -0.14 105.19 108.13 20gs n GLY 12 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.97 20gs n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 20gs n ARG 13 N 9.50 0.73 -0.00 1.61 1.74 -1.26 -2.86 116.66 126.11 20gs n ARG 13 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 20gs n ARG 13 Cb 0.00 -1.09 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 20gs n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 20gs h ALA 15 N 1.34 0.09 0.25 0.00 0.00 -0.98 -1.54 119.26 118.40 20gs h ALA 15 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 20gs h ALA 15 Cb 0.46 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 20gs h ALA 15 CO 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 179.25 178.52 20gs h ALA 16 N 1.13 -0.39 0.00 0.00 0.00 -1.82 -1.34 119.26 116.84 20gs h ALA 16 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 20gs h ALA 16 Cb 0.43 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 20gs h ALA 16 CO -0.48 -0.73 -0.14 1.37 0.00 0.00 0.00 179.25 179.27 20gs h LEU 17 N -0.41 0.00 -0.36 0.00 8.10 -1.80 -0.75 115.31 120.10 20gs h LEU 17 Ca -0.02 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.78 20gs h LEU 17 Cb 0.35 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.57 20gs h LEU 17 CO 0.01 0.14 -0.63 0.03 -4.11 0.00 0.00 178.44 173.88 20gs h ARG 18 N 0.00 0.67 -0.39 0.17 3.08 -0.92 -1.95 114.38 115.03 20gs h ARG 18 Ca -0.00 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 20gs h ARG 18 Cb 0.30 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 20gs h ARG 18 CO 0.02 1.09 -0.12 0.52 -1.07 0.00 0.00 179.97 180.41 20gs h MET 19 N 0.49 0.69 -0.05 0.04 2.86 -0.39 -1.11 114.93 117.47 20gs h MET 19 Ca -0.01 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 20gs h MET 19 Cb 1.21 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 20gs h MET 19 CO 0.12 0.79 0.02 1.25 1.06 0.00 0.00 176.91 180.15 20gs h LEU 20 N 0.63 0.07 -0.40 1.22 6.46 -0.93 -0.71 115.31 121.65 20gs h LEU 20 Ca 0.11 -0.16 -0.15 0.00 -0.12 0.00 0.00 57.88 57.56 20gs h LEU 20 Cb 0.56 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 20gs h LEU 20 CO 0.04 0.21 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.64 20gs h LEU 21 N -0.08 1.00 0.28 2.25 3.38 -1.27 -1.03 115.31 119.84 20gs h LEU 21 Ca 0.02 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 20gs h LEU 21 Cb 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 20gs h LEU 21 CO -0.00 1.25 -0.20 0.00 0.09 0.00 0.00 178.44 179.58 20gs h ALA 22 N 0.78 -1.00 -0.93 1.53 0.00 -1.17 0.36 119.26 118.83 20gs h ALA 22 Ca 0.07 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.11 20gs h ALA 22 Cb 0.95 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 20gs h ALA 22 CO 0.09 -0.99 0.62 0.22 0.00 0.00 0.00 179.25 179.19 20gs h ASP 23 N -0.45 0.34 0.91 0.00 3.58 -1.17 0.64 116.42 120.27 20gs h ASP 23 Ca -0.04 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.45 20gs h ASP 23 Cb 0.37 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.40 20gs h ASP 23 CO 0.02 0.12 -0.07 0.00 -2.88 0.00 0.00 179.24 176.43 20gs n GLN 24 N -4.48 0.02 -2.59 0.28 1.13 -0.39 -4.84 117.38 106.52 20gs n GLN 24 Ca 0.20 -0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.20 20gs n GLN 24 Cb 0.79 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.66 20gs n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 20gs n GLY 25 N 1.49 0.35 3.61 1.08 0.00 0.22 -5.05 105.19 106.89 20gs n GLY 25 Ca 0.07 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 20gs n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 20gs s GLN 26 N -4.82 2.25 -0.02 1.61 -1.52 0.11 -5.03 119.66 112.25 20gs s GLN 26 Ca 0.07 -0.97 -0.13 0.00 -1.95 0.00 0.00 55.36 52.38 20gs s GLN 26 Cb -0.03 -2.37 -0.05 0.00 -0.22 0.00 0.00 33.01 30.33 20gs s GLN 26 CO 0.21 0.52 0.36 -1.12 -0.25 0.00 0.00 175.29 175.00 20gs s SER 27 N -2.26 6.73 0.08 5.90 0.01 -1.26 -4.54 113.70 118.36 20gs s SER 27 Ca 0.23 0.87 -0.17 0.00 1.31 0.00 0.00 55.95 58.19 20gs s SER 27 Cb -0.11 -2.22 0.04 0.00 0.21 0.00 0.00 66.02 63.94 20gs s SER 27 CO 0.15 0.34 0.41 -1.66 0.41 0.00 0.00 173.24 172.89 20gs s TRP 28 N -1.05 -0.24 0.01 2.43 -2.14 -1.26 -4.20 118.94 112.48 20gs s TRP 28 Ca 0.22 0.08 0.04 0.00 2.66 0.00 0.00 56.10 59.10 20gs s TRP 28 Cb -0.16 0.24 -0.03 0.00 -3.10 0.00 0.00 33.47 30.42 20gs s TRP 28 CO 0.12 -0.63 -0.07 0.21 -2.66 0.00 0.00 176.95 173.91 20gs s LYS 29 N -3.08 2.52 -0.13 3.25 2.47 -0.11 -4.97 119.74 119.69 20gs s LYS 29 Ca -0.02 -0.74 -0.04 0.00 -1.56 0.00 0.00 55.97 53.61 20gs s LYS 29 Cb 0.00 -2.48 -0.03 0.00 -1.46 0.00 0.00 37.83 33.86 20gs s LYS 29 CO -0.07 0.60 0.02 -1.21 0.16 0.00 0.00 175.35 174.85 20gs s GLU 30 N -1.45 3.45 -0.31 4.03 0.41 -1.26 -1.68 118.70 121.89 20gs s GLU 30 Ca 0.17 -0.39 0.03 0.00 -0.41 0.00 0.00 54.97 54.38 20gs s GLU 30 Cb -0.11 -2.97 0.08 0.00 -1.78 0.00 0.00 34.13 29.35 20gs s GLU 30 CO 0.08 0.49 -0.01 -1.21 -0.49 0.00 0.00 175.26 174.12 20gs s GLU 31 N -0.28 1.72 0.20 1.61 2.02 0.08 -4.95 118.70 119.09 20gs s GLU 31 Ca 0.07 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 53.12 20gs s GLU 31 Cb -0.12 -3.04 -0.08 0.00 0.10 0.00 0.00 34.13 30.99 20gs s GLU 31 CO 0.02 -0.80 1.14 0.08 0.02 0.00 0.00 175.26 175.71 20gs s VAL 32 N 1.01 3.68 -0.15 2.63 1.01 -1.26 -2.37 120.40 124.94 20gs s VAL 32 Ca 0.04 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 20gs s VAL 32 Cb -0.19 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 20gs s VAL 32 CO -0.07 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.52 20gs s VAL 33 N -0.33 3.49 0.07 2.92 1.01 0.10 -4.91 120.40 122.76 20gs s VAL 33 Ca 0.50 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 20gs s VAL 33 Cb -0.31 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 20gs s VAL 33 CO 0.37 0.50 0.34 -0.89 0.00 0.00 0.00 175.10 175.41 20gs s THR 34 N 0.47 5.20 0.22 3.92 2.01 -1.26 -3.96 115.64 122.24 20gs s THR 34 Ca -0.06 0.18 0.09 0.00 0.31 0.00 0.00 61.69 62.22 20gs s THR 34 Cb -0.15 -3.61 0.09 0.00 0.01 0.00 0.00 72.50 68.84 20gs s THR 34 CO 0.04 0.23 1.16 1.62 -0.69 0.00 0.00 174.62 176.97 20gs h VAL 35 N 2.64 0.00 0.07 3.82 3.04 -2.00 0.11 116.25 123.93 20gs h VAL 35 Ca -0.48 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 64.86 20gs h VAL 35 Cb 1.18 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 20gs h VAL 35 CO 0.69 0.00 -1.96 -0.62 -1.01 0.00 0.00 177.57 174.66 20gs n GLU 36 N -2.05 0.69 0.18 4.17 4.71 -1.26 -3.55 120.64 123.53 20gs n GLU 36 Ca -0.01 0.31 -0.15 0.00 -0.01 0.00 0.00 57.16 57.31 20gs n GLU 36 Cb 0.51 -1.67 -0.08 0.00 -1.01 0.00 0.00 31.44 29.19 20gs n GLU 36 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 20gs h THR 37 N -0.25 0.71 0.00 2.62 2.02 -1.19 -1.88 112.91 114.94 20gs h THR 37 Ca -0.46 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.57 20gs h THR 37 Cb 1.83 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 20gs h THR 37 CO -0.04 0.03 0.00 1.87 0.37 0.00 0.00 175.52 177.75 20gs n TRP 38 N -5.24 0.00 0.00 3.16 -0.00 -0.86 0.42 117.44 114.93 20gs n TRP 38 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.40 20gs n TRP 38 Cb 0.21 -0.48 0.00 0.00 -0.00 0.00 0.00 31.31 31.04 20gs n TRP 38 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 20gs n GLN 39 N -2.68 0.00 0.10 5.87 6.02 -1.20 0.29 117.38 125.78 20gs n GLN 39 Ca 0.00 0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 20gs n GLN 39 Cb 0.00 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 29.85 20gs n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 20gs h GLU 40 N 0.00 0.15 0.00 -1.09 4.22 0.83 -3.47 114.58 115.21 20gs h GLU 40 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 20gs h GLU 40 Cb 0.01 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 20gs h GLU 40 CO 0.00 0.78 0.00 0.41 -2.18 0.00 0.00 179.01 178.02 20gs n GLY 41 N 0.46 2.43 0.16 1.92 0.00 0.14 -4.96 105.19 105.34 20gs n GLY 41 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 20gs n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 20gs h SER 42 N 0.46 -0.34 0.00 1.61 0.02 -1.79 -1.34 113.55 112.17 20gs h SER 42 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 20gs h SER 42 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 20gs h SER 42 CO 0.00 -0.16 0.00 0.18 -1.14 0.00 0.00 176.83 175.71 20gs n LEU 43 N -5.25 0.01 -0.29 5.07 4.77 -1.26 -2.76 117.00 117.29 20gs n LEU 43 Ca -0.05 0.86 -0.01 0.00 -0.03 0.00 0.00 56.01 56.79 20gs n LEU 43 Cb 0.17 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.79 20gs n LEU 43 CO 0.26 -0.50 0.44 1.17 -1.33 0.00 0.00 177.39 177.43 20gs n LYS 44 N -1.99 -0.18 -0.26 3.23 4.81 -1.24 0.18 118.16 122.71 20gs n LYS 44 Ca 0.00 1.16 0.24 0.00 -0.87 0.00 0.00 58.31 58.83 20gs n LYS 44 Cb 0.00 -1.71 0.58 0.00 0.02 0.00 0.00 35.03 33.92 20gs n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 20gs h ALA 45 N 1.01 2.45 0.00 3.14 0.00 -1.29 0.15 119.26 124.72 20gs h ALA 45 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 20gs h ALA 45 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 20gs h ALA 45 CO -0.74 -0.77 -0.54 0.66 0.00 0.00 0.00 179.25 177.86 20gs h SER 46 N 0.27 0.00 -3.15 0.00 4.64 0.20 -3.45 113.55 112.06 20gs h SER 46 Ca 0.51 -0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 61.21 20gs h SER 46 Cb 1.50 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.54 20gs h SER 46 CO -0.16 0.02 0.92 0.00 -0.87 0.00 0.00 176.83 176.75 20gs n LEU 48 N 7.21 -0.25 -1.03 0.00 7.94 -1.26 0.31 117.00 129.92 20gs n LEU 48 Ca 0.14 0.86 0.08 0.00 -1.11 0.00 0.00 56.01 55.98 20gs n LEU 48 Cb 0.46 -0.23 0.25 0.00 0.53 0.00 0.00 43.42 44.44 20gs n LEU 48 CO 0.60 -0.80 0.71 -1.22 -1.11 0.00 0.00 177.39 175.58 20gs n TYR 49 N -4.77 0.90 -2.85 1.96 4.01 -1.26 -4.94 117.16 110.21 20gs n TYR 49 Ca 0.07 -0.61 -0.17 0.00 -0.16 0.00 0.00 57.90 57.03 20gs n TYR 49 Cb 0.22 -0.14 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 20gs n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 20gs n GLY 50 N 0.61 -0.24 3.20 2.72 0.00 0.92 -5.00 105.19 107.40 20gs n GLY 50 Ca 0.19 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 20gs n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 20gs s GLN 51 N -5.44 0.76 0.29 1.61 -0.21 -1.26 -4.87 119.66 110.54 20gs s GLN 51 Ca 0.24 -0.73 0.08 0.00 0.02 0.00 0.00 55.36 54.97 20gs s GLN 51 Cb -0.10 0.31 -0.04 0.00 1.00 0.00 0.00 33.01 34.18 20gs s GLN 51 CO 0.29 -0.23 0.14 -0.51 -2.12 0.00 0.00 175.29 172.86 20gs s LEU 52 N -2.36 3.48 0.67 2.90 1.43 -1.26 -4.67 118.68 118.88 20gs s LEU 52 Ca -0.02 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 20gs s LEU 52 Cb 0.01 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.23 20gs s LEU 52 CO -0.06 -0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.34 20gs s PRO 53 N -3.82 2.72 0.01 1.29 0.04 -1.26 -4.90 135.00 129.07 20gs s PRO 53 Ca 0.35 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.84 20gs s PRO 53 Cb -0.06 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 20gs s PRO 53 CO 0.23 -1.32 -0.21 0.21 0.04 0.00 0.00 177.00 175.96 20gs s LYS 54 N -4.17 1.59 0.04 4.56 2.20 -0.90 -3.42 119.74 119.64 20gs s LYS 54 Ca 0.67 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 55.48 20gs s LYS 54 Cb -0.21 -1.60 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 20gs s LYS 54 CO 0.43 0.43 -0.09 0.12 -0.36 0.00 0.00 175.35 175.88 20gs s PHE 55 N -0.61 0.81 -0.06 4.03 5.36 0.14 -0.87 117.98 126.77 20gs s PHE 55 Ca 0.08 -0.39 0.02 0.00 -0.96 0.00 0.00 56.93 55.68 20gs s PHE 55 Cb -0.08 -0.48 0.01 0.00 -0.34 0.00 0.00 43.02 42.13 20gs s PHE 55 CO 0.00 -0.03 -0.11 -0.65 -1.46 0.00 0.00 175.22 172.97 20gs s GLN 56 N -1.25 1.55 -0.42 10.12 -0.21 0.07 -0.41 119.66 129.10 20gs s GLN 56 Ca -0.05 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 54.98 20gs s GLN 56 Cb -0.08 -1.31 0.12 0.00 1.00 0.00 0.00 33.01 32.75 20gs s GLN 56 CO 0.01 0.03 0.19 0.34 -2.12 0.00 0.00 175.29 173.74 20gs s ASP 57 N 0.64 4.03 0.79 5.90 2.15 0.20 -1.92 116.67 128.46 20gs s ASP 57 Ca -0.13 -2.50 0.00 0.00 0.43 0.00 0.00 52.55 50.35 20gs s ASP 57 Cb -0.15 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.23 20gs s ASP 57 CO 0.03 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 20gs n GLY 58 N 3.75 2.14 0.29 2.66 0.00 -0.96 -0.71 105.19 112.35 20gs n GLY 58 Ca 0.05 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.58 20gs n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 20gs n ASP 59 N 2.55 0.83 -4.64 1.61 5.68 -1.26 -4.78 116.55 116.54 20gs n ASP 59 Ca 0.00 -1.94 -0.41 0.00 -0.50 0.00 0.00 54.79 51.95 20gs n ASP 59 Cb 0.00 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 39.82 20gs n ASP 59 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 20gs s LEU 60 N -1.08 4.11 -0.16 -2.12 0.20 0.11 -5.05 118.68 114.68 20gs s LEU 60 Ca 0.13 0.82 -0.02 0.00 0.69 0.00 0.00 54.13 55.75 20gs s LEU 60 Cb 0.07 -2.92 -0.01 0.00 -0.43 0.00 0.00 46.19 42.89 20gs s LEU 60 CO 0.10 -0.34 -0.09 -0.89 -0.29 0.00 0.00 176.35 174.83 20gs s THR 61 N 2.26 3.24 0.10 3.68 2.01 -1.26 0.62 115.64 126.29 20gs s THR 61 Ca 0.29 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.80 20gs s THR 61 Cb -0.16 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 20gs s THR 61 CO 0.09 0.49 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.52 20gs s LEU 62 N 0.75 2.28 0.30 4.42 1.02 0.45 -4.96 118.68 122.94 20gs s LEU 62 Ca -0.04 -0.68 0.06 0.00 0.02 0.00 0.00 54.13 53.49 20gs s LEU 62 Cb -0.15 -1.00 -0.06 0.00 0.02 0.00 0.00 46.19 45.00 20gs s LEU 62 CO 0.02 0.11 -0.03 -0.31 0.02 0.00 0.00 176.35 176.15 20gs s TYR 63 N -1.08 2.00 0.04 0.29 1.51 -1.26 0.23 117.35 119.08 20gs s TYR 63 Ca 0.09 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 20gs s TYR 63 Cb -0.10 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 20gs s TYR 63 CO 0.04 0.25 0.00 1.04 -1.11 0.00 0.00 175.55 175.77 20gs n GLN 64 N -0.63 -0.97 -0.22 -0.62 1.13 -1.22 -4.54 117.38 110.31 20gs n GLN 64 Ca -0.05 1.03 0.01 0.00 -1.94 0.00 0.00 57.00 56.05 20gs n GLN 64 Cb 0.64 -0.74 0.12 0.00 0.11 0.00 0.00 30.24 30.37 20gs n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 20gs h SER 65 N 0.72 0.36 0.67 1.08 4.64 -1.87 -2.21 113.55 116.95 20gs h SER 65 Ca 0.00 0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 20gs h SER 65 Cb 0.00 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 20gs h SER 65 CO 0.00 0.21 -0.42 0.78 -0.87 0.00 0.00 176.83 176.53 20gs h ASN 66 N 0.52 0.00 -0.38 4.97 2.35 -1.93 0.53 115.58 121.65 20gs h ASN 66 Ca 0.33 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.92 20gs h ASN 66 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 20gs h ASN 66 CO -0.28 0.42 -0.35 0.74 -1.65 0.00 0.00 177.43 176.32 20gs h THR 67 N 0.00 1.27 -0.21 2.81 2.02 -1.65 -0.10 112.91 117.05 20gs h THR 67 Ca -0.00 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.60 20gs h THR 67 Cb 0.87 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 20gs h THR 67 CO 0.06 0.51 -0.08 0.40 0.37 0.00 0.00 175.52 176.77 20gs h ILE 68 N 0.76 1.30 -0.40 3.11 2.04 -1.03 -0.79 117.51 122.51 20gs h ILE 68 Ca 0.07 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.83 20gs h ILE 68 Cb 0.93 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 20gs h ILE 68 CO 0.09 0.34 0.22 -0.07 0.00 0.00 0.00 178.15 178.72 20gs h LEU 69 N 0.14 0.33 -0.84 1.44 3.38 -0.78 0.23 115.31 119.21 20gs h LEU 69 Ca 0.05 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 20gs h LEU 69 Cb 0.56 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 20gs h LEU 69 CO 0.03 0.24 0.11 0.03 0.09 0.00 0.00 178.44 178.93 20gs h ARG 70 N 0.44 0.98 0.03 1.13 3.08 -0.96 -0.41 114.38 118.67 20gs h ARG 70 Ca 0.16 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.97 20gs h ARG 70 Cb 0.04 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 20gs h ARG 70 CO -0.09 0.90 -0.02 1.25 -1.07 0.00 0.00 179.97 180.93 20gs h HIS 71 N 0.92 -0.06 -0.66 3.04 2.76 -0.38 0.38 115.15 121.15 20gs h HIS 71 Ca 0.19 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 20gs h HIS 71 Cb 0.39 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 20gs h HIS 71 CO 0.03 -0.04 0.41 -0.07 -1.30 0.00 0.00 177.93 176.96 20gs h LEU 72 N -0.06 0.78 -0.50 0.26 4.07 -0.75 -0.19 115.31 118.92 20gs h LEU 72 Ca 0.00 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.93 20gs h LEU 72 Cb 0.05 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 20gs h LEU 72 CO -0.00 0.60 0.30 1.23 -1.08 0.00 0.00 178.44 179.49 20gs h GLY 73 N 0.90 0.70 0.89 0.83 0.00 -0.54 0.51 103.07 106.36 20gs h GLY 73 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 20gs h GLY 73 CO -0.05 0.20 0.08 -0.09 0.00 0.00 0.00 176.54 176.68 20gs h ARG 74 N 0.61 0.46 0.00 4.80 2.43 0.16 0.29 114.38 123.13 20gs h ARG 74 Ca 0.20 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 59.06 20gs h ARG 74 Cb -0.00 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 20gs h ARG 74 CO -0.08 0.54 -0.93 1.79 -1.51 0.00 0.00 179.97 179.78 20gs h THR 75 N 0.31 1.60 -0.01 0.20 1.35 -0.80 -3.31 112.91 112.25 20gs h THR 75 Ca 0.09 -3.24 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 20gs h THR 75 Cb 0.28 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 20gs h THR 75 CO -0.00 0.91 -0.50 0.18 -0.25 0.00 0.00 175.52 175.86 20gs n LEU 76 N -3.35 1.00 -0.40 3.87 4.32 0.18 -4.99 117.00 117.63 20gs n LEU 76 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 56.01 55.70 20gs n LEU 76 Cb 0.90 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 20gs n LEU 76 CO 0.46 0.21 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 20gs n GLY 77 N 1.43 0.93 2.66 -0.72 0.00 -0.50 -5.00 105.19 103.99 20gs n GLY 77 Ca 0.08 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 20gs n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 20gs n LEU 78 N -0.40 4.12 -2.66 0.99 4.77 0.89 -4.79 117.00 119.92 20gs n LEU 78 Ca 0.00 -5.28 -0.01 0.00 -0.03 0.00 0.00 56.01 50.69 20gs n LEU 78 Cb 0.44 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 20gs n LEU 78 CO 0.00 2.24 0.01 0.00 -1.33 0.00 0.00 177.39 178.31 20gs n TYR 79 N -0.31 1.25 0.00 -1.77 4.19 -1.24 -1.90 117.16 117.38 20gs n TYR 79 Ca 0.33 -2.01 0.00 0.00 3.31 0.00 0.00 57.90 59.53 20gs n TYR 79 Cb 0.57 -0.23 0.00 0.00 0.49 0.00 0.00 39.34 40.16 20gs n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 20gs n GLY 80 N -0.52 -1.92 0.18 2.98 0.00 -1.26 -3.88 105.19 100.76 20gs n GLY 80 Ca 0.09 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.72 20gs n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 20gs n LYS 81 N -1.73 0.54 -3.83 1.61 2.85 -1.26 -4.83 118.16 111.51 20gs n LYS 81 Ca 0.00 -0.36 -0.07 0.00 -1.05 0.00 0.00 58.31 56.83 20gs n LYS 81 Cb 0.00 -1.49 -0.00 0.00 -0.65 0.00 0.00 35.03 32.89 20gs n LYS 81 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 20gs s ASP 82 N -2.70 -0.15 0.36 -5.58 1.47 -1.26 -5.03 116.67 103.78 20gs s ASP 82 Ca 0.18 -0.80 0.10 0.00 1.18 0.00 0.00 52.55 53.21 20gs s ASP 82 Cb 0.18 0.75 0.86 0.00 -0.34 0.00 0.00 42.92 44.37 20gs s ASP 82 CO 0.62 -1.44 1.85 1.56 0.68 0.00 0.00 175.17 178.45 20gs h GLN 83 N 2.00 0.63 0.03 2.11 4.20 -1.93 -0.59 115.11 121.57 20gs h GLN 83 Ca -0.24 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 20gs h GLN 83 Cb 1.25 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.89 20gs h GLN 83 CO 0.30 0.42 -0.02 0.37 -0.67 0.00 0.00 178.83 179.23 20gs h GLN 84 N 0.65 -0.04 -0.18 1.46 4.15 -1.97 -0.63 115.11 118.56 20gs h GLN 84 Ca 0.47 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.80 20gs h GLN 84 Cb 0.83 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 20gs h GLN 84 CO -0.22 -0.01 -0.30 0.93 -1.93 0.00 0.00 178.83 177.29 20gs h GLU 85 N -0.06 0.35 -0.70 1.69 5.08 -1.73 -2.61 114.58 116.60 20gs h GLU 85 Ca -0.00 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 20gs h GLU 85 Cb 0.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 20gs h GLU 85 CO 0.01 0.62 0.38 0.00 -1.00 0.00 0.00 179.01 179.02 20gs h ALA 86 N 1.38 0.89 -0.09 3.43 0.00 -0.66 0.21 119.26 124.42 20gs h ALA 86 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 20gs h ALA 86 Cb 0.69 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 20gs h ALA 86 CO 0.05 0.40 -0.27 0.00 0.00 0.00 0.00 179.25 179.43 20gs h ALA 87 N 1.19 1.38 0.14 0.00 0.00 -0.77 -1.17 119.26 120.03 20gs h ALA 87 Ca 0.25 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 20gs h ALA 87 Cb 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.76 20gs h ALA 87 CO -0.04 0.44 -1.26 -0.07 0.00 0.00 0.00 179.25 178.31 20gs h LEU 88 N 0.15 0.51 -0.33 0.00 3.38 -1.05 -1.49 115.31 116.47 20gs h LEU 88 Ca 0.02 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.47 20gs h LEU 88 Cb 0.56 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 20gs h LEU 88 CO 0.04 1.41 0.20 0.58 0.09 0.00 0.00 178.44 180.76 20gs h VAL 89 N 0.10 1.06 0.27 1.22 2.07 -0.39 -0.68 116.25 119.90 20gs h VAL 89 Ca -0.15 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.23 20gs h VAL 89 Cb 1.98 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 20gs h VAL 89 CO 0.21 0.08 -0.29 0.44 0.02 0.00 0.00 177.57 178.03 20gs h ASP 90 N 0.42 -0.80 -0.93 0.57 3.32 -1.19 -1.31 116.42 116.50 20gs h ASP 90 Ca 0.13 0.07 0.20 0.00 0.02 0.00 0.00 57.03 57.45 20gs h ASP 90 Cb -0.02 0.28 -0.11 0.00 0.22 0.00 0.00 39.33 39.69 20gs h ASP 90 CO -0.05 -0.42 0.49 -0.03 -1.72 0.00 0.00 179.24 177.51 20gs h MET 91 N -0.61 0.54 -0.41 3.56 4.05 -0.88 0.20 114.93 121.39 20gs h MET 91 Ca -0.01 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.29 20gs h MET 91 Cb 0.57 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 20gs h MET 91 CO -0.07 0.36 -0.11 0.28 0.23 0.00 0.00 176.91 177.60 20gs h VAL 92 N 0.56 1.28 -0.78 -5.77 2.07 -0.59 -2.76 116.25 110.26 20gs h VAL 92 Ca 0.56 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 20gs h VAL 92 Cb 0.97 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 20gs h VAL 92 CO -0.45 0.41 0.29 -1.13 0.02 0.00 0.00 177.57 176.70 20gs h ASN 93 N 0.61 1.10 -0.83 0.57 -1.24 0.13 -0.49 115.58 115.42 20gs h ASN 93 Ca 0.10 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.93 20gs h ASN 93 Cb 0.64 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.36 20gs h ASN 93 CO 0.04 0.99 0.53 0.44 -1.29 0.00 0.00 177.43 178.14 20gs h ASP 94 N 1.14 0.97 -0.28 1.15 5.19 -1.19 0.26 116.42 123.66 20gs h ASP 94 Ca 0.26 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 20gs h ASP 94 Cb 0.25 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 20gs h ASP 94 CO -0.02 0.72 0.09 1.23 -3.12 0.00 0.00 179.24 178.14 20gs h GLY 95 N 1.13 0.47 0.59 2.75 0.00 -1.14 0.36 103.07 107.23 20gs h GLY 95 Ca 0.30 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.39 20gs h GLY 95 CO -0.06 0.26 -0.06 -2.08 0.00 0.00 0.00 176.54 174.60 20gs h VAL 96 N 0.30 0.78 -0.27 4.60 2.07 -0.59 -0.88 116.25 122.26 20gs h VAL 96 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 20gs h VAL 96 Cb 0.25 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 20gs h VAL 96 CO -0.00 0.00 0.17 -0.08 0.02 0.00 0.00 177.57 177.68 20gs h GLU 97 N -0.03 0.36 -0.50 1.57 4.57 -0.28 0.48 114.58 120.76 20gs h GLU 97 Ca 0.09 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 20gs h GLU 97 Cb 0.17 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 20gs h GLU 97 CO -0.20 0.24 0.05 -0.44 -1.18 0.00 0.00 179.01 177.48 20gs h ASP 98 N 0.37 0.82 0.23 1.04 3.32 0.45 0.14 116.42 122.79 20gs h ASP 98 Ca 0.10 -0.28 -0.22 0.00 0.02 0.00 0.00 57.03 56.64 20gs h ASP 98 Cb -0.03 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.31 20gs h ASP 98 CO -0.02 0.90 -0.90 0.25 -1.72 0.00 0.00 179.24 177.75 20gs h LEU 99 N 0.71 0.61 -0.88 1.55 5.85 -0.83 -2.94 115.31 119.39 20gs h LEU 99 Ca 0.15 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.41 20gs h LEU 99 Cb 0.45 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 20gs h LEU 99 CO 0.02 1.25 0.56 -0.09 -0.34 0.00 0.00 178.44 179.84 20gs h ARG 100 N 0.29 1.18 -0.91 1.25 2.43 -0.70 0.51 114.38 118.44 20gs h ARG 100 Ca -0.07 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 20gs h ARG 100 Cb 1.52 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 20gs h ARG 100 CO 0.16 0.80 0.60 0.00 -1.51 0.00 0.00 179.97 180.02 20gs h LYS 102 N 1.20 0.16 0.23 0.00 1.57 -1.20 -2.71 116.57 115.82 20gs h LYS 102 Ca 0.35 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 20gs h LYS 102 Cb -0.08 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 20gs h LYS 102 CO -0.09 0.89 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.63 20gs h TYR 103 N 0.10 -0.34 -0.59 -1.35 3.20 -0.23 -0.42 116.97 117.33 20gs h TYR 103 Ca -0.03 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.89 20gs h TYR 103 Cb 1.42 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.78 20gs h TYR 103 CO 0.02 -0.21 0.39 0.82 -1.64 0.00 0.00 178.16 177.55 20gs h ILE 104 N -0.34 1.02 -0.22 1.81 2.04 -1.03 0.81 117.51 121.59 20gs h ILE 104 Ca -0.03 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 20gs h ILE 104 Cb 0.28 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 20gs h ILE 104 CO 0.04 0.11 -0.32 -1.28 0.00 0.00 0.00 178.15 176.69 20gs h SER 105 N 0.60 0.45 0.68 1.72 0.87 -1.07 -1.58 113.55 115.22 20gs h SER 105 Ca 0.25 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 20gs h SER 105 Cb 0.23 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 20gs h SER 105 CO -0.07 0.75 -0.33 0.25 -0.53 0.00 0.00 176.83 176.91 20gs h LEU 106 N 0.38 -0.77 -0.55 2.23 5.85 0.80 -1.00 115.31 122.25 20gs h LEU 106 Ca 0.05 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.88 20gs h LEU 106 Cb 0.75 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 20gs h LEU 106 CO 0.06 -0.41 -0.13 0.40 -0.34 0.00 0.00 178.44 178.03 20gs h ILE 107 N -1.18 0.45 -0.01 4.05 1.08 -1.22 -1.60 117.51 119.09 20gs h ILE 107 Ca -0.09 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 20gs h ILE 107 Cb 0.72 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 20gs h ILE 107 CO 0.15 0.00 -0.51 -1.22 -0.69 0.00 0.00 178.15 175.88 20gs n TYR 108 N -5.38 0.00 -0.04 1.37 4.01 -0.60 -4.49 117.16 112.03 20gs n TYR 108 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.70 20gs n TYR 108 Cb 0.29 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 20gs n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 20gs n THR 109 N -0.62 0.59 -2.94 -0.72 -1.04 -0.38 -4.95 114.28 104.22 20gs n THR 109 Ca 0.09 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 20gs n THR 109 Cb 0.40 -1.65 -0.00 0.00 -1.82 0.00 0.00 70.33 67.26 20gs n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 20gs n ASN 110 N -3.46 -1.75 0.00 8.00 2.04 -0.96 -5.02 115.26 114.10 20gs n ASN 110 Ca -0.17 -3.02 -0.00 0.00 -0.44 0.00 0.00 54.58 50.95 20gs n ASN 110 Cb 0.59 0.85 -0.00 0.00 -2.53 0.00 0.00 39.78 38.69 20gs n ASN 110 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 20gs h TYR 111 N 4.15 -0.00 -0.97 -2.53 5.03 -1.53 -1.22 116.97 119.90 20gs h TYR 111 Ca -0.04 -0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.46 20gs h TYR 111 Cb 0.98 0.00 -0.11 0.00 1.55 0.00 0.00 36.73 39.15 20gs h TYR 111 CO 0.16 -0.00 0.56 0.93 -1.32 0.00 0.00 178.16 178.48 20gs h GLU 112 N -0.00 0.66 0.00 1.82 3.07 -1.94 -0.33 114.58 117.86 20gs h GLU 112 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 20gs h GLU 112 Cb 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 20gs h GLU 112 CO 0.00 0.44 -0.57 0.00 -1.40 0.00 0.00 179.01 177.48 20gs h ALA 113 N 1.65 0.68 -0.03 3.43 0.00 -1.98 -3.38 119.26 119.63 20gs h ALA 113 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 20gs h ALA 113 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 20gs h ALA 113 CO -0.40 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.26 20gs n GLY 114 N 1.23 0.07 0.17 0.00 0.00 -0.46 -4.75 105.19 101.45 20gs n GLY 114 Ca 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 20gs n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 20gs h LYS 115 N 0.56 0.37 0.12 1.61 3.64 -1.24 -1.78 116.57 119.85 20gs h LYS 115 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 20gs h LYS 115 Cb 0.26 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 20gs h LYS 115 CO 0.00 0.25 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.93 20gs h ASP 116 N 0.38 -0.13 -0.83 4.20 3.32 -1.86 -1.11 116.42 120.40 20gs h ASP 116 Ca 0.18 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.22 20gs h ASP 116 Cb 0.11 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 20gs h ASP 116 CO -0.15 -0.04 0.55 0.44 -1.72 0.00 0.00 179.24 178.32 20gs h ASP 117 N -0.21 0.89 -0.31 6.45 5.19 -1.88 0.03 116.42 126.58 20gs h ASP 117 Ca -0.02 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 20gs h ASP 117 Cb 0.17 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 20gs h ASP 117 CO 0.03 0.61 0.03 0.22 -3.12 0.00 0.00 179.24 177.01 20gs h TYR 118 N 1.03 0.56 -0.39 4.55 5.03 -0.99 -0.35 116.97 126.42 20gs h TYR 118 Ca 0.33 -0.08 -0.12 0.00 2.58 0.00 0.00 58.73 61.44 20gs h TYR 118 Cb 0.03 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 20gs h TYR 118 CO -0.00 0.62 -0.23 0.28 -1.32 0.00 0.00 178.16 177.51 20gs h VAL 119 N 0.33 1.27 -0.87 1.81 2.07 -0.85 -0.66 116.25 119.35 20gs h VAL 119 Ca 0.09 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.29 20gs h VAL 119 Cb 0.38 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 20gs h VAL 119 CO 0.01 0.45 0.57 0.11 0.02 0.00 0.00 177.57 178.73 20gs h LYS 120 N 0.67 1.12 -0.00 1.57 1.57 -0.80 -1.69 116.57 119.01 20gs h LYS 120 Ca 0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 20gs h LYS 120 Cb 0.74 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.80 20gs h LYS 120 CO 0.06 0.74 -0.08 0.00 -0.57 0.00 0.00 179.45 179.60 20gs n ALA 121 N -2.34 2.69 0.12 3.86 0.00 -0.16 -4.28 120.51 120.41 20gs n ALA 121 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 20gs n ALA 121 Cb 0.04 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 20gs n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 20gs h LEU 122 N 0.43 -0.25 -0.63 0.00 6.46 -0.14 -2.94 115.31 118.25 20gs h LEU 122 Ca 0.00 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.91 20gs h LEU 122 Cb 0.32 0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 20gs h LEU 122 CO 0.00 -0.16 -0.02 -0.65 -0.62 0.00 0.00 178.44 176.99 20gs h PRO 123 N -0.26 0.09 -0.42 5.25 0.11 -1.74 1.03 132.00 136.07 20gs h PRO 123 Ca -0.02 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.21 20gs h PRO 123 Cb 0.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 20gs h PRO 123 CO 0.02 0.06 0.40 0.78 -0.21 0.00 0.00 178.00 179.05 20gs h GLY 124 N 0.10 0.00 1.18 -0.55 0.00 -1.80 -0.18 103.07 101.82 20gs h GLY 124 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.41 20gs h GLY 124 CO -0.55 0.00 -1.49 1.46 0.00 0.00 0.00 176.54 175.96 20gs h GLN 125 N 0.00 0.00 0.00 4.80 1.08 0.12 -3.37 115.11 117.74 20gs h GLN 125 Ca 0.20 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.25 20gs h GLN 125 Cb 1.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 20gs h GLN 125 CO -0.00 0.52 -0.91 -0.07 -0.95 0.00 0.00 178.83 177.42 20gs h LEU 126 N 0.00 0.00 -0.54 1.46 3.38 0.67 -3.38 115.31 116.90 20gs h LEU 126 Ca -0.21 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.87 20gs h LEU 126 Cb 1.86 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.50 20gs h LEU 126 CO 0.08 0.60 -0.18 0.11 0.09 0.00 0.00 178.44 179.13 20gs h LYS 127 N 0.00 -0.05 -0.87 1.13 1.57 -1.39 -2.27 116.57 114.69 20gs h LYS 127 Ca -0.07 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.93 20gs h LYS 127 Cb 1.52 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.78 20gs h LYS 127 CO 0.07 -0.03 0.59 -1.35 -0.57 0.00 0.00 179.45 178.15 20gs h PRO 128 N -0.05 0.29 0.03 3.15 0.11 -1.81 0.11 132.00 133.83 20gs h PRO 128 Ca 0.26 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.13 20gs h PRO 128 Cb 0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 20gs h PRO 128 CO -0.59 0.19 -1.03 0.74 -0.21 0.00 0.00 178.00 177.11 20gs h PHE 129 N 0.30 0.15 -0.37 0.65 0.04 -1.68 -1.04 116.94 114.98 20gs h PHE 129 Ca 0.45 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 61.01 20gs h PHE 129 Cb 1.27 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 20gs h PHE 129 CO -0.00 1.05 -0.18 1.49 -0.60 0.00 0.00 178.31 180.06 20gs h GLU 130 N 0.03 0.78 -0.63 1.51 4.57 -0.82 -1.50 114.58 118.52 20gs h GLU 130 Ca -0.04 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 20gs h GLU 130 Cb 1.76 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.30 20gs h GLU 130 CO 0.15 0.96 0.30 1.15 -1.18 0.00 0.00 179.01 180.39 20gs h THR 131 N 0.58 1.22 -0.82 0.32 2.02 -0.81 -1.08 112.91 114.34 20gs h THR 131 Ca 0.08 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 20gs h THR 131 Cb 0.73 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 20gs h THR 131 CO 0.06 0.26 0.45 -0.07 0.37 0.00 0.00 175.52 176.58 20gs h LEU 132 N 0.87 1.02 -0.17 2.58 3.38 -1.04 -2.83 115.31 119.11 20gs h LEU 132 Ca 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 20gs h LEU 132 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 20gs h LEU 132 CO -0.03 0.82 0.10 0.25 0.09 0.00 0.00 178.44 179.68 20gs h LEU 133 N 1.13 0.21 -2.13 1.67 5.85 -0.72 -2.82 115.31 118.50 20gs h LEU 133 Ca 0.29 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.97 20gs h LEU 133 Cb 0.03 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 20gs h LEU 133 CO -0.05 0.21 0.05 0.77 -0.34 0.00 0.00 178.44 179.08 20gs h SER 134 N 0.19 0.00 -0.05 1.25 4.64 -0.98 0.28 113.55 118.88 20gs h SER 134 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 20gs h SER 134 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 20gs h SER 134 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 20gs n GLN 135 N -4.30 1.39 -4.03 4.77 6.02 -1.07 -3.49 117.38 116.66 20gs n GLN 135 Ca -0.01 -0.58 -0.31 0.00 -0.01 0.00 0.00 57.00 56.08 20gs n GLN 135 Cb 0.16 -1.42 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 20gs n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 20gs s ASN 136 N -1.80 3.78 -1.03 1.08 2.47 -0.61 -4.79 114.94 114.03 20gs s ASN 136 Ca 0.37 -1.06 -0.11 0.00 0.42 0.00 0.00 52.86 52.48 20gs s ASN 136 Cb 0.19 -1.37 0.11 0.00 -1.45 0.00 0.00 41.25 38.72 20gs s ASN 136 CO 0.30 -0.15 0.27 0.00 -3.72 0.00 0.00 177.10 173.80 20gs n GLN 137 N 4.58 -0.86 -2.62 0.43 6.02 -1.26 0.73 117.38 124.41 20gs n GLN 137 Ca -0.15 0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.71 20gs n GLN 137 Cb 0.45 -2.54 0.00 0.00 1.02 0.00 0.00 30.24 29.17 20gs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 20gs n GLY 138 N -1.04 -0.51 2.80 1.08 0.00 -1.23 -2.28 105.19 104.02 20gs n GLY 138 Ca 0.02 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 20gs n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 20gs n GLY 139 N -1.16 -0.31 0.01 -0.02 0.00 0.22 -4.77 105.19 99.16 20gs n GLY 139 Ca -0.19 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 45.90 20gs n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 20gs n LYS 140 N -3.47 0.62 0.00 1.61 4.76 -0.97 -4.81 118.16 115.90 20gs n LYS 140 Ca -0.09 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 20gs n LYS 140 Cb 0.60 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 20gs n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 20gs n THR 141 N -2.21 0.00 -4.65 -0.18 -2.24 -1.26 -5.11 114.28 98.63 20gs n THR 141 Ca -0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 20gs n THR 141 Cb 0.54 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 20gs n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 20gs s PHE 142 N 0.88 1.77 -0.13 4.78 0.08 -1.26 -5.03 117.98 119.08 20gs s PHE 142 Ca 0.00 -1.19 0.30 0.00 0.12 0.00 0.00 56.93 56.16 20gs s PHE 142 Cb 0.00 -1.35 1.15 0.00 -0.57 0.00 0.00 43.02 42.24 20gs s PHE 142 CO 0.00 -0.10 1.87 0.97 -0.10 0.00 0.00 175.22 177.87 20gs h ILE 143 N 1.51 0.00 -2.57 0.64 6.09 -1.97 -3.43 117.51 117.78 20gs h ILE 143 Ca -0.39 -0.50 -0.10 0.00 -1.37 0.00 0.00 64.86 62.51 20gs h ILE 143 Cb 1.30 1.43 -0.26 0.00 0.47 0.00 0.00 36.82 39.77 20gs h ILE 143 CO 0.63 0.00 -0.27 -0.69 -3.07 0.00 0.00 178.15 174.75 20gs s VAL 144 N -3.51 -0.06 0.05 2.19 1.01 -1.26 -4.80 120.40 114.02 20gs s VAL 144 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.10 20gs s VAL 144 Cb 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.81 20gs s VAL 144 CO 0.52 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.27 20gs n GLY 145 N 4.34 -1.48 1.23 4.51 0.00 -1.26 -4.27 105.19 108.25 20gs n GLY 145 Ca -0.22 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.71 20gs n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 20gs n ASP 146 N -2.00 4.40 -4.13 1.61 5.68 -1.26 -4.06 116.55 116.78 20gs n ASP 146 Ca 0.00 -2.79 -0.17 0.00 -0.50 0.00 0.00 54.79 51.33 20gs n ASP 146 Cb 0.10 -0.55 -0.12 0.00 -1.14 0.00 0.00 41.12 39.41 20gs n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 20gs s GLN 147 N -2.45 0.74 0.66 0.11 -2.07 -1.26 -4.89 119.66 110.50 20gs s GLN 147 Ca 0.45 -0.86 -0.16 0.00 -1.82 0.00 0.00 55.36 52.97 20gs s GLN 147 Cb 0.33 -0.67 0.00 0.00 -1.09 0.00 0.00 33.01 31.58 20gs s GLN 147 CO 0.14 0.15 1.15 -1.50 -1.32 0.00 0.00 175.29 173.91 20gs s ILE 148 N -1.23 2.87 0.12 3.63 2.07 -1.26 -4.77 121.20 122.63 20gs s ILE 148 Ca -0.04 0.44 -0.03 0.00 -1.41 0.00 0.00 60.65 59.61 20gs s ILE 148 Cb -0.10 -3.01 -0.03 0.00 0.13 0.00 0.00 42.46 39.45 20gs s ILE 148 CO 0.02 -0.21 0.10 -0.94 -1.91 0.00 0.00 174.94 171.99 20gs s SER 149 N -2.20 0.27 0.57 4.50 1.04 -1.26 -4.59 113.70 112.03 20gs s SER 149 Ca 0.71 -1.07 0.27 0.00 0.48 0.00 0.00 55.95 56.34 20gs s SER 149 Cb -0.25 0.31 1.51 0.00 0.10 0.00 0.00 66.02 67.69 20gs s SER 149 CO 0.40 -0.74 2.02 2.19 0.98 0.00 0.00 173.24 178.08 20gs h PHE 150 N 2.84 0.00 -0.01 5.02 -5.15 -1.71 0.14 116.94 118.06 20gs h PHE 150 Ca -0.34 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.36 20gs h PHE 150 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.35 20gs h PHE 150 CO 0.44 0.00 -0.34 0.00 -2.00 0.00 0.00 178.31 176.41 20gs h ALA 151 N 1.69 1.43 0.15 12.09 0.00 -1.86 -1.92 119.26 130.83 20gs h ALA 151 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 20gs h ALA 151 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 20gs h ALA 151 CO -0.00 0.43 -0.07 -0.44 0.00 0.00 0.00 179.25 179.17 20gs h ASP 152 N 0.01 -0.17 -0.59 0.00 3.32 -1.12 0.17 116.42 118.03 20gs h ASP 152 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 20gs h ASP 152 Cb 0.61 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 20gs h ASP 152 CO 0.04 -0.12 0.29 1.88 -1.72 0.00 0.00 179.24 179.62 20gs h TYR 153 N -0.21 0.84 -0.43 4.55 0.05 -1.50 0.47 116.97 120.74 20gs h TYR 153 Ca -0.02 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.65 20gs h TYR 153 Cb 0.16 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 20gs h TYR 153 CO -0.07 0.64 -0.04 -0.97 -1.05 0.00 0.00 178.16 176.67 20gs h ASN 154 N 0.81 0.69 -0.07 3.88 -1.24 -1.13 -2.10 115.58 116.41 20gs h ASN 154 Ca 0.20 -0.17 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 20gs h ASN 154 Cb 0.10 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.97 20gs h ASN 154 CO -0.03 0.79 -0.29 0.25 -1.29 0.00 0.00 177.43 176.87 20gs h LEU 155 N 0.67 0.38 -0.96 0.34 5.85 -0.34 -2.57 115.31 118.67 20gs h LEU 155 Ca 0.13 -0.63 0.16 0.00 0.84 0.00 0.00 57.88 58.37 20gs h LEU 155 Cb 0.48 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 20gs h LEU 155 CO 0.02 0.95 0.57 0.25 -0.34 0.00 0.00 178.44 179.89 20gs h LEU 156 N -0.17 0.75 -0.00 2.25 5.85 -0.80 0.92 115.31 124.11 20gs h LEU 156 Ca -0.02 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 20gs h LEU 156 Cb 0.93 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 20gs h LEU 156 CO 0.06 0.32 0.00 -0.78 -0.34 0.00 0.00 178.44 177.70 20gs h ASP 157 N 0.79 0.01 -0.61 1.25 3.58 -1.35 -0.14 116.42 119.94 20gs h ASP 157 Ca 0.52 -0.26 0.11 0.00 0.42 0.00 0.00 57.03 57.83 20gs h ASP 157 Cb 0.72 -0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.69 20gs h ASP 157 CO -0.35 0.26 0.17 0.25 -2.88 0.00 0.00 179.24 176.70 20gs h LEU 158 N -0.25 0.10 0.27 2.28 5.85 -0.81 0.81 115.31 123.57 20gs h LEU 158 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 20gs h LEU 158 Cb 0.26 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.41 20gs h LEU 158 CO 0.00 0.06 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.95 20gs h LEU 159 N 0.32 -0.31 -0.64 2.25 3.38 -0.77 -2.58 115.31 116.96 20gs h LEU 159 Ca 0.32 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.29 20gs h LEU 159 Cb 0.45 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 20gs h LEU 159 CO -0.37 -0.04 -0.07 -0.07 0.09 0.00 0.00 178.44 177.97 20gs h LEU 160 N -0.59 -0.43 -0.98 1.67 3.38 -0.16 -0.24 115.31 117.95 20gs h LEU 160 Ca -0.04 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 20gs h LEU 160 Cb 0.43 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.51 20gs h LEU 160 CO 0.06 -0.17 0.00 0.16 0.09 0.00 0.00 178.44 178.58 20gs h ILE 161 N 0.06 0.00 0.01 1.22 3.07 -0.83 -2.78 117.51 118.25 20gs h ILE 161 Ca 0.32 -0.54 -0.25 0.00 1.55 0.00 0.00 64.86 65.95 20gs h ILE 161 Cb 0.52 1.49 -0.03 0.00 -0.27 0.00 0.00 36.82 38.53 20gs h ILE 161 CO -0.60 0.00 -1.30 0.45 -1.05 0.00 0.00 178.15 175.65 20gs h HIS 162 N 0.00 0.05 0.00 0.16 3.86 -0.68 -2.76 115.15 115.78 20gs h HIS 162 Ca 0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 20gs h HIS 162 Cb 0.58 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 20gs h HIS 162 CO 0.00 1.04 -0.03 0.93 0.86 0.00 0.00 177.93 180.73 20gs h GLU 163 N 0.01 0.00 0.00 2.45 4.39 -0.92 0.71 114.58 121.21 20gs h GLU 163 Ca -0.13 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.46 20gs h GLU 163 Cb 1.88 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.51 20gs h GLU 163 CO 0.12 0.03 -1.12 0.28 -1.16 0.00 0.00 179.01 177.16 20gs h VAL 164 N 0.00 0.43 0.22 3.13 2.07 -1.49 -2.24 116.25 118.37 20gs h VAL 164 Ca -0.00 -1.77 -0.31 0.00 0.82 0.00 0.00 66.70 65.44 20gs h VAL 164 Cb 0.07 1.97 0.03 0.00 -1.52 0.00 0.00 31.29 31.84 20gs h VAL 164 CO 0.00 0.24 -1.39 0.25 0.02 0.00 0.00 177.57 176.69 20gs h LEU 165 N 0.00 0.74 -6.18 2.57 5.85 -0.53 -3.41 115.31 114.36 20gs h LEU 165 Ca -0.09 -0.93 -0.58 0.00 0.84 0.00 0.00 57.88 57.12 20gs h LEU 165 Cb 1.40 -0.24 -0.39 0.00 0.37 0.00 0.00 40.66 41.80 20gs h LEU 165 CO 0.04 1.66 -1.03 0.00 -0.34 0.00 0.00 178.44 178.77 20gs n ALA 166 N -2.74 2.67 -1.43 1.25 0.00 0.22 -5.09 120.51 115.39 20gs n ALA 166 Ca -0.18 -3.31 -0.44 0.00 0.00 0.00 0.00 53.44 49.51 20gs n ALA 166 Cb 1.05 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.70 20gs n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 20gs n PRO 167 N 2.05 0.43 0.00 0.00 -0.02 -0.84 -1.18 135.00 135.44 20gs n PRO 167 Ca 0.25 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 20gs n PRO 167 Cb 0.50 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 20gs n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 20gs n GLY 168 N 1.85 2.90 0.00 -1.23 0.00 -1.26 -4.83 105.19 102.62 20gs n GLY 168 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 20gs n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 20gs n LEU 170 N -1.11 2.78 0.12 0.00 4.32 -1.26 -4.41 117.00 117.43 20gs n LEU 170 Ca 0.00 -1.83 0.13 0.00 -0.02 0.00 0.00 56.01 54.29 20gs n LEU 170 Cb 0.11 -0.20 0.43 0.00 -1.62 0.00 0.00 43.42 42.14 20gs n LEU 170 CO 0.00 0.67 0.88 0.47 -1.22 0.00 0.00 177.39 178.19 20gs n ASP 171 N 0.55 0.81 -0.17 -1.43 8.00 0.40 -2.41 116.55 122.31 20gs n ASP 171 Ca 0.11 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.34 20gs n ASP 171 Cb 0.40 -0.81 0.21 0.00 -0.02 0.00 0.00 41.12 40.90 20gs n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 20gs n ALA 172 N -1.80 3.53 -3.69 2.24 0.00 -1.26 -4.65 120.51 114.89 20gs n ALA 172 Ca 0.04 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 20gs n ALA 172 Cb 0.38 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 20gs n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 20gs s PHE 173 N -2.73 1.99 0.47 0.00 0.08 -1.01 -4.99 117.98 111.79 20gs s PHE 173 Ca 0.17 -2.47 0.23 0.00 0.12 0.00 0.00 56.93 54.99 20gs s PHE 173 Cb 0.18 -1.83 1.39 0.00 -0.57 0.00 0.00 43.02 42.19 20gs s PHE 173 CO 0.63 -0.77 2.09 -1.00 -0.10 0.00 0.00 175.22 176.08 20gs h PRO 174 N 6.51 0.00 0.23 0.24 0.13 -1.83 -0.32 132.00 136.96 20gs h PRO 174 Ca 0.04 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.84 20gs h PRO 174 Cb 0.91 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.07 20gs h PRO 174 CO 0.48 0.11 -1.47 -0.07 -0.23 0.00 0.00 178.00 176.82 20gs h LEU 175 N 0.00 0.76 -0.34 1.56 4.07 -1.93 -2.41 115.31 117.01 20gs h LEU 175 Ca -0.00 -0.84 -0.06 0.00 0.08 0.00 0.00 57.88 57.06 20gs h LEU 175 Cb 0.24 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 20gs h LEU 175 CO 0.01 1.66 -0.01 -0.07 -1.08 0.00 0.00 178.44 178.95 20gs h LEU 176 N 0.13 0.60 -0.11 1.67 3.38 -1.86 -1.21 115.31 117.92 20gs h LEU 176 Ca -0.25 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.43 20gs h LEU 176 Cb 2.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 20gs h LEU 176 CO 0.26 0.77 -0.04 0.28 0.09 0.00 0.00 178.44 179.80 20gs h SER 177 N 0.42 -0.14 0.21 -0.43 0.02 -1.13 0.48 113.55 112.98 20gs h SER 177 Ca 0.10 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 20gs h SER 177 Cb 0.47 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 20gs h SER 177 CO 0.02 -0.05 -0.24 0.00 -1.14 0.00 0.00 176.83 175.42 20gs h ALA 178 N 1.08 1.54 -0.27 3.77 0.00 -1.37 -2.12 119.26 121.89 20gs h ALA 178 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 20gs h ALA 178 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 20gs h ALA 178 CO -0.12 0.34 -0.14 -0.92 0.00 0.00 0.00 179.25 178.41 20gs h TYR 179 N 0.05 0.65 -0.74 0.00 3.20 -0.46 -0.42 116.97 119.26 20gs h TYR 179 Ca 0.01 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 20gs h TYR 179 Cb 0.46 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 20gs h TYR 179 CO 0.00 0.82 0.31 0.28 -1.64 0.00 0.00 178.16 177.93 20gs h VAL 180 N 0.30 1.25 -0.08 1.81 2.07 -0.62 -2.08 116.25 118.90 20gs h VAL 180 Ca 0.06 -0.76 -0.18 0.00 0.82 0.00 0.00 66.70 66.64 20gs h VAL 180 Cb 0.65 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 20gs h VAL 180 CO 0.04 0.31 -0.69 1.23 0.02 0.00 0.00 177.57 178.48 20gs h GLY 181 N 1.06 0.42 0.83 2.17 0.00 -1.29 -1.93 103.07 104.34 20gs h GLY 181 Ca 0.25 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 20gs h GLY 181 CO -0.02 0.52 -0.12 -0.09 0.00 0.00 0.00 176.54 176.83 20gs h ARG 182 N 0.27 0.47 -0.15 4.80 2.43 -0.90 -2.90 114.38 118.39 20gs h ARG 182 Ca -0.02 -0.21 -0.17 0.00 -0.81 0.00 0.00 59.98 58.77 20gs h ARG 182 Cb 1.26 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.80 20gs h ARG 182 CO 0.12 0.75 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.70 20gs h LEU 183 N 0.18 0.76 -1.55 3.80 3.38 -1.45 -3.03 115.31 117.39 20gs h LEU 183 Ca 0.05 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.41 20gs h LEU 183 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 20gs h LEU 183 CO 0.03 1.24 0.00 0.28 0.09 0.00 0.00 178.44 180.08 20gs h SER 184 N 0.32 0.00 0.01 -0.43 0.02 -1.39 -1.06 113.55 111.02 20gs h SER 184 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 20gs h SER 184 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 20gs h SER 184 CO 0.12 0.00 -0.14 0.00 -1.14 0.00 0.00 176.83 175.67 20gs n ALA 185 N -1.80 2.82 -1.90 3.77 0.00 -1.10 -3.80 120.51 118.50 20gs n ALA 185 Ca -0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 20gs n ALA 185 Cb 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 20gs n ALA 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 20gs s ARG 186 N -2.17 4.20 0.00 0.00 0.52 -0.40 -4.73 118.95 116.36 20gs s ARG 186 Ca 0.28 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 20gs s ARG 186 Cb 0.20 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.35 20gs s ARG 186 CO 0.40 -0.67 0.37 -2.30 0.02 0.00 0.00 175.30 173.12 20gs n PRO 187 N 4.58 0.00 -0.23 3.54 -0.02 -1.26 0.87 135.00 142.47 20gs n PRO 187 Ca 0.15 0.37 -0.01 0.00 -2.02 0.00 0.00 63.50 61.98 20gs n PRO 187 Cb 0.39 -0.59 0.10 0.00 -0.02 0.00 0.00 33.50 33.38 20gs n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 20gs h LYS 188 N 0.00 0.68 -0.27 -0.52 1.57 -1.90 -1.38 116.57 114.74 20gs h LYS 188 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 20gs h LYS 188 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 20gs h LYS 188 CO 0.00 0.45 -0.05 1.25 -0.57 0.00 0.00 179.45 180.53 20gs h LEU 189 N 0.70 0.52 -0.29 2.94 6.46 -1.60 -0.20 115.31 123.84 20gs h LEU 189 Ca 0.30 -0.35 0.05 0.00 -0.12 0.00 0.00 57.88 57.76 20gs h LEU 189 Cb 0.19 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 20gs h LEU 189 CO -0.18 0.75 -0.01 0.50 -0.62 0.00 0.00 178.44 178.88 20gs h LYS 190 N 0.28 0.07 0.15 1.25 3.64 0.76 0.40 116.57 123.12 20gs h LYS 190 Ca 0.07 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 20gs h LYS 190 Cb 0.52 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 20gs h LYS 190 CO 0.02 0.05 -0.11 0.00 -2.27 0.00 0.00 179.45 177.15 20gs h ALA 191 N 1.25 -0.24 0.27 5.00 0.00 -1.19 -2.52 119.26 121.84 20gs h ALA 191 Ca 0.14 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 20gs h ALA 191 Cb 0.19 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 20gs h ALA 191 CO -0.24 -0.65 -0.37 0.35 0.00 0.00 0.00 179.25 178.35 20gs h PHE 192 N -0.26 -1.01 -0.02 0.00 3.57 -0.31 -1.45 116.94 117.46 20gs h PHE 192 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 20gs h PHE 192 Cb 0.23 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 20gs h PHE 192 CO -0.10 -0.50 0.18 -0.07 -2.23 0.00 0.00 178.31 175.59 20gs h LEU 193 N -0.69 0.00 0.00 0.59 3.38 -0.16 0.30 115.31 118.73 20gs h LEU 193 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 20gs h LEU 193 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 20gs h LEU 193 CO -0.12 0.00 -1.19 0.00 0.09 0.00 0.00 178.44 177.22 20gs n ALA 194 N -2.02 2.43 -1.37 1.53 0.00 -0.84 -4.36 120.51 115.88 20gs n ALA 194 Ca -0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.76 20gs n ALA 194 Cb 0.24 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.74 20gs n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 20gs s SER 195 N -5.36 4.41 0.33 0.00 1.04 0.10 -4.74 113.70 109.48 20gs s SER 195 Ca -0.02 2.23 0.02 0.00 0.48 0.00 0.00 55.95 58.66 20gs s SER 195 Cb 0.10 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 64.23 20gs s SER 195 CO 0.81 -2.11 1.92 -0.65 0.98 0.00 0.00 173.24 174.19 20gs h PRO 196 N -0.30 0.70 -0.97 4.02 0.11 -1.92 0.90 132.00 134.54 20gs h PRO 196 Ca -0.47 -0.10 0.22 0.00 0.11 0.00 0.00 66.00 65.76 20gs h PRO 196 Cb 1.28 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 20gs h PRO 196 CO 0.51 0.59 0.62 1.49 -0.21 0.00 0.00 178.00 180.99 20gs h GLU 197 N 0.70 0.50 0.00 1.05 4.81 -1.92 0.55 114.58 120.27 20gs h GLU 197 Ca 0.17 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 20gs h GLU 197 Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 20gs h GLU 197 CO -0.02 0.33 -1.14 0.98 -0.73 0.00 0.00 179.01 178.43 20gs n TYR 198 N -4.61 0.12 -0.14 0.92 4.19 -1.01 -4.57 117.16 112.06 20gs n TYR 198 Ca 0.22 0.05 0.20 0.00 3.31 0.00 0.00 57.90 61.68 20gs n TYR 198 Cb 0.71 -0.60 0.60 0.00 0.49 0.00 0.00 39.34 40.53 20gs n TYR 198 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 20gs h VAL 199 N -1.00 0.71 -0.53 2.97 2.07 -0.82 -2.26 116.25 117.39 20gs h VAL 199 Ca -0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.35 20gs h VAL 199 Cb 1.03 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 20gs h VAL 199 CO -0.06 0.04 0.00 0.59 0.02 0.00 0.00 177.57 178.16 20gs n ASN 200 N -4.42 3.34 -4.81 0.57 3.02 0.18 -4.88 115.26 108.26 20gs n ASN 200 Ca 0.15 -2.16 -0.36 0.00 -0.03 0.00 0.00 54.58 52.18 20gs n ASN 200 Cb 0.67 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 39.33 20gs n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 20gs s LEU 201 N -1.24 4.09 0.61 3.41 1.02 -0.85 -5.06 118.68 120.66 20gs s LEU 201 Ca 0.38 0.33 -0.15 0.00 0.02 0.00 0.00 54.13 54.72 20gs s LEU 201 Cb 0.22 -2.03 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 20gs s LEU 201 CO 0.22 0.38 1.06 -2.16 0.02 0.00 0.00 176.35 175.87 20gs s PRO 202 N -1.08 3.25 0.05 1.29 0.04 -1.26 -4.74 135.00 132.54 20gs s PRO 202 Ca 0.16 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 20gs s PRO 202 Cb -0.12 -2.03 -0.16 0.00 0.04 0.00 0.00 34.50 32.24 20gs s PRO 202 CO 0.05 -0.86 1.27 0.82 0.04 0.00 0.00 177.00 178.32 20gs h ILE 203 N 0.23 1.36 -2.19 0.56 2.04 -1.95 -0.82 117.51 116.74 20gs h ILE 203 Ca -0.46 -1.66 -0.55 0.00 1.00 0.00 0.00 64.86 63.19 20gs h ILE 203 Cb 1.22 2.06 -0.13 0.00 -0.74 0.00 0.00 36.82 39.22 20gs h ILE 203 CO 0.57 0.50 -0.58 0.20 0.00 0.00 0.00 178.15 178.84 20gs s ASN 204 N -6.51 3.03 0.02 1.72 -0.87 -1.26 -1.13 114.94 109.94 20gs s ASN 204 Ca -0.13 -1.47 -0.27 0.00 -1.57 0.00 0.00 52.86 49.42 20gs s ASN 204 Cb 0.06 0.04 -0.16 0.00 -0.02 0.00 0.00 41.25 41.17 20gs s ASN 204 CO 0.81 -0.67 1.22 1.23 -2.57 0.00 0.00 177.10 177.12 20gs h GLY 205 N 1.87 -0.85 0.41 0.66 0.00 -1.90 -3.16 103.07 100.09 20gs h GLY 205 Ca -0.41 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.24 20gs h GLY 205 CO 0.70 -0.31 0.00 1.16 0.00 0.00 0.00 176.54 178.10 20gs n ASN 206 N -5.35 0.00 0.00 0.19 0.23 -1.26 -4.81 115.26 104.26 20gs n ASN 206 Ca -0.12 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 20gs n ASN 206 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 20gs n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 20gs n GLY 207 N 0.03 0.58 3.77 4.83 0.00 -1.20 -5.00 105.19 108.21 20gs n GLY 207 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 20gs n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 20gs s LYS 208 N -0.27 4.26 0.00 1.61 1.02 -1.26 -4.97 119.74 120.13 20gs s LYS 208 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.65 20gs s LYS 208 Cb 0.00 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 20gs s LYS 208 CO 0.00 0.41 0.00 0.00 -0.92 0.00 0.00 175.35 174.84