#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 13gs s PRO 1 N 0.00 4.36 0.00 2.12 0.02 -1.26 -4.93 135.00 135.31 13gs s PRO 1 Ca 0.00 2.17 0.28 0.00 0.02 0.00 0.00 61.00 63.47 13gs s PRO 1 Cb 0.00 -3.06 1.57 0.00 0.02 0.00 0.00 34.50 33.03 13gs s PRO 1 CO 0.00 -0.17 2.01 -0.35 -0.33 0.00 0.00 177.00 178.16 13gs n PRO 2 N 0.79 0.66 -4.61 5.54 -0.04 -1.26 -4.77 135.00 131.32 13gs n PRO 2 Ca 0.00 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 13gs n PRO 2 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 13gs n PRO 2 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 13gs s TYR 3 N -2.27 2.94 -0.03 0.54 2.02 -1.26 -1.46 117.35 117.83 13gs s TYR 3 Ca 0.35 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 13gs s TYR 3 Cb 0.19 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.02 13gs s TYR 3 CO 0.38 0.22 0.06 0.99 -1.57 0.00 0.00 175.55 175.62 13gs s THR 4 N -0.50 -0.09 -0.14 -0.71 2.01 -0.68 -0.80 115.64 114.72 13gs s THR 4 Ca 0.07 0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 13gs s THR 4 Cb -0.12 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 13gs s THR 4 CO 0.02 0.12 -0.12 0.68 -0.69 0.00 0.00 174.62 174.63 13gs s VAL 5 N 1.53 3.02 -0.27 3.82 -7.23 -0.06 -1.18 120.40 120.02 13gs s VAL 5 Ca -0.04 -0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 59.40 13gs s VAL 5 Cb -0.12 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 13gs s VAL 5 CO -0.03 0.51 0.07 -0.69 -0.31 0.00 0.00 175.10 174.65 13gs s VAL 6 N 0.56 4.09 0.27 1.32 1.01 0.04 -0.91 120.40 126.78 13gs s VAL 6 Ca -0.08 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 13gs s VAL 6 Cb -0.16 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.23 13gs s VAL 6 CO 0.03 0.21 0.69 -0.47 0.00 0.00 0.00 175.10 175.56 13gs s TYR 7 N 1.55 -0.17 0.72 5.22 5.04 -0.91 -2.05 117.35 126.75 13gs s TYR 7 Ca 0.05 -0.27 -0.11 0.00 -2.44 0.00 0.00 57.07 54.30 13gs s TYR 7 Cb -0.16 0.65 0.03 0.00 0.35 0.00 0.00 41.96 42.83 13gs s TYR 7 CO 0.03 -1.19 1.08 -0.06 -1.34 0.00 0.00 175.55 174.07 13gs s PHE 8 N -3.92 2.82 -0.78 4.97 0.08 -1.26 -0.88 117.98 119.02 13gs s PHE 8 Ca 0.11 1.50 -0.06 0.00 0.12 0.00 0.00 56.93 58.60 13gs s PHE 8 Cb -0.05 -2.99 -0.11 0.00 -0.57 0.00 0.00 43.02 39.30 13gs s PHE 8 CO 0.06 -1.52 2.54 -0.35 -0.10 0.00 0.00 175.22 175.85 13gs n PRO 9 N -3.20 2.26 -4.25 0.24 -0.04 -1.26 -4.80 135.00 123.96 13gs n PRO 9 Ca 0.09 -1.39 -0.14 0.00 -0.04 0.00 0.00 63.50 62.02 13gs n PRO 9 Cb 0.53 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 13gs n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 13gs s VAL 10 N 2.47 0.62 -0.08 0.52 -7.23 -1.26 -4.39 120.40 111.05 13gs s VAL 10 Ca 0.50 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 13gs s VAL 10 Cb 0.17 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.78 13gs s VAL 10 CO -0.03 -0.38 0.52 0.03 -0.31 0.00 0.00 175.10 174.93 13gs h ARG 11 N 2.64 -0.16 0.00 4.82 3.08 -1.26 -3.46 114.38 120.05 13gs h ARG 11 Ca -0.37 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.69 13gs h ARG 11 Cb 1.21 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.30 13gs h ARG 11 CO 0.62 0.19 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 13gs n GLY 12 N 1.14 1.99 0.00 0.04 0.00 -0.14 -1.02 105.19 107.19 13gs n GLY 12 Ca -0.05 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.07 13gs n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13gs n ARG 13 N 11.54 0.81 0.00 1.61 1.74 -1.26 -3.13 116.66 127.97 13gs n ARG 13 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 13gs n ARG 13 Cb 0.00 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 29.89 13gs n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 13gs h ALA 15 N 2.60 0.24 -0.46 0.00 0.00 -1.27 -1.86 119.26 118.51 13gs h ALA 15 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 13gs h ALA 15 Cb 0.44 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 13gs h ALA 15 CO 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 179.25 179.00 13gs h ALA 16 N 1.27 0.60 -0.04 0.00 0.00 -1.83 -1.13 119.26 118.13 13gs h ALA 16 Ca 0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 13gs h ALA 16 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 13gs h ALA 16 CO -0.27 0.21 -0.40 1.37 0.00 0.00 0.00 179.25 180.16 13gs h LEU 17 N 0.60 0.09 -0.50 0.00 8.10 -1.80 -0.93 115.31 120.87 13gs h LEU 17 Ca 0.15 -0.04 -0.15 0.00 0.11 0.00 0.00 57.88 57.96 13gs h LEU 17 Cb 0.20 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 13gs h LEU 17 CO -0.01 0.48 -0.34 0.03 -4.11 0.00 0.00 178.44 174.50 13gs h ARG 18 N 0.08 0.87 -0.63 0.17 3.08 -1.08 -1.07 114.38 115.80 13gs h ARG 18 Ca 0.01 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 13gs h ARG 18 Cb 0.74 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 13gs h ARG 18 CO 0.06 1.07 0.13 0.52 -1.07 0.00 0.00 179.97 180.67 13gs h MET 19 N 0.72 1.00 0.30 0.04 2.86 -0.84 -0.88 114.93 118.13 13gs h MET 19 Ca 0.07 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 13gs h MET 19 Cb 0.90 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.43 13gs h MET 19 CO 0.08 0.90 -0.14 1.25 1.06 0.00 0.00 176.91 180.06 13gs h LEU 20 N 0.95 -0.34 -0.52 1.22 6.46 -0.91 -0.61 115.31 121.56 13gs h LEU 20 Ca 0.20 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 13gs h LEU 20 Cb 0.37 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 13gs h LEU 20 CO 0.00 -0.17 0.31 -0.07 -0.62 0.00 0.00 178.44 177.89 13gs h LEU 21 N -0.49 0.49 0.15 2.25 3.38 -1.08 -0.90 115.31 119.11 13gs h LEU 21 Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 13gs h LEU 21 Cb 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.03 13gs h LEU 21 CO 0.07 0.34 -0.07 0.00 0.09 0.00 0.00 178.44 178.87 13gs h ALA 22 N 1.24 -0.21 -0.07 1.53 0.00 -1.08 -0.32 119.26 120.36 13gs h ALA 22 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 13gs h ALA 22 Cb 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 13gs h ALA 22 CO -0.10 -0.56 -0.09 0.22 0.00 0.00 0.00 179.25 178.71 13gs h ASP 23 N -0.31 0.09 -0.10 0.00 3.58 -0.98 -1.60 116.42 117.10 13gs h ASP 23 Ca -0.02 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.42 13gs h ASP 23 Cb 0.25 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.27 13gs h ASP 23 CO 0.03 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.59 13gs n GLN 24 N -4.38 1.48 -1.74 0.28 1.13 -0.35 -4.84 117.38 108.96 13gs n GLN 24 Ca -0.02 -0.72 -0.10 0.00 -1.94 0.00 0.00 57.00 54.23 13gs n GLN 24 Cb 0.20 -1.37 -0.02 0.00 0.11 0.00 0.00 30.24 29.16 13gs n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 13gs n GLY 25 N 1.02 0.54 3.90 1.08 0.00 -0.60 -5.03 105.19 106.10 13gs n GLY 25 Ca 0.16 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 13gs n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 13gs s GLN 26 N -3.66 3.66 -0.01 1.61 -1.52 -0.17 -5.03 119.66 114.54 13gs s GLN 26 Ca 0.00 -0.01 -0.02 0.00 -1.95 0.00 0.00 55.36 53.38 13gs s GLN 26 Cb 0.00 -2.76 -0.04 0.00 -0.22 0.00 0.00 33.01 29.99 13gs s GLN 26 CO 0.00 0.38 0.16 -1.12 -0.25 0.00 0.00 175.29 174.46 13gs s SER 27 N -2.61 6.22 0.13 5.90 0.01 -1.26 -4.51 113.70 117.58 13gs s SER 27 Ca 0.43 0.30 -0.14 0.00 1.31 0.00 0.00 55.95 57.85 13gs s SER 27 Cb -0.12 -1.92 0.02 0.00 0.21 0.00 0.00 66.02 64.22 13gs s SER 27 CO 0.25 0.26 0.36 -1.66 0.41 0.00 0.00 173.24 172.86 13gs s TRP 28 N -1.30 -0.03 -0.09 2.43 -2.14 -1.26 -4.33 118.94 112.21 13gs s TRP 28 Ca 0.27 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 58.70 13gs s TRP 28 Cb -0.12 0.16 -0.03 0.00 -3.10 0.00 0.00 33.47 30.38 13gs s TRP 28 CO 0.18 -0.70 -0.08 0.21 -2.66 0.00 0.00 176.95 173.89 13gs s LYS 29 N -3.85 3.02 -0.18 3.25 2.47 0.02 -4.98 119.74 119.49 13gs s LYS 29 Ca 0.06 -0.59 -0.08 0.00 -1.56 0.00 0.00 55.97 53.81 13gs s LYS 29 Cb 0.02 -2.64 -0.04 0.00 -1.46 0.00 0.00 37.83 33.71 13gs s LYS 29 CO -0.09 0.49 0.09 -1.21 0.16 0.00 0.00 175.35 174.80 13gs s GLU 30 N -0.35 3.96 -0.32 4.03 0.41 -1.26 -0.88 118.70 124.29 13gs s GLU 30 Ca 0.05 -0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.33 13gs s GLU 30 Cb -0.12 -3.27 0.08 0.00 -1.78 0.00 0.00 34.13 29.03 13gs s GLU 30 CO 0.02 0.35 0.03 -1.21 -0.49 0.00 0.00 175.26 173.96 13gs s GLU 31 N 0.17 2.08 0.03 1.61 0.41 -0.09 -4.96 118.70 117.96 13gs s GLU 31 Ca 0.06 -1.54 -0.29 0.00 -0.41 0.00 0.00 54.97 52.79 13gs s GLU 31 Cb -0.12 -3.20 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 13gs s GLU 31 CO -0.00 -0.77 0.95 0.08 -0.49 0.00 0.00 175.26 175.02 13gs s VAL 32 N 1.12 4.75 -0.28 2.63 1.01 -1.26 -2.14 120.40 126.23 13gs s VAL 32 Ca 0.00 2.01 -0.04 0.00 0.00 0.00 0.00 61.98 63.95 13gs s VAL 32 Cb -0.20 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.90 13gs s VAL 32 CO -0.04 0.22 0.02 -0.69 0.00 0.00 0.00 175.10 174.62 13gs s VAL 33 N 0.63 3.46 0.48 2.92 1.01 -0.06 -4.94 120.40 123.90 13gs s VAL 33 Ca 0.49 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 13gs s VAL 33 Cb -0.22 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 13gs s VAL 33 CO 0.28 0.08 0.90 0.42 0.00 0.00 0.00 175.10 176.78 13gs s THR 34 N 1.40 4.66 0.50 3.92 -4.23 -1.26 -4.06 115.64 116.57 13gs s THR 34 Ca 0.00 0.93 0.22 0.00 -1.18 0.00 0.00 61.69 61.66 13gs s THR 34 Cb -0.17 -3.74 0.38 0.00 1.34 0.00 0.00 72.50 70.30 13gs s THR 34 CO -0.00 -0.67 1.98 1.62 -0.54 0.00 0.00 174.62 177.01 13gs h VAL 35 N 0.85 0.77 0.75 2.29 3.04 -1.99 -0.81 116.25 121.16 13gs h VAL 35 Ca -0.47 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.14 13gs h VAL 35 Cb 1.19 0.63 0.01 0.00 -2.01 0.00 0.00 31.29 31.10 13gs h VAL 35 CO 0.62 0.02 -0.36 -0.33 -1.01 0.00 0.00 177.57 176.52 13gs h GLU 36 N 0.13 -0.97 -0.92 4.17 5.08 -1.98 -0.77 114.58 119.32 13gs h GLU 36 Ca 0.27 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.83 13gs h GLU 36 Cb 0.90 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 13gs h GLU 36 CO -0.03 -0.63 0.53 1.15 -1.00 0.00 0.00 179.01 179.03 13gs h THR 37 N -1.17 0.82 -0.24 1.13 2.02 -1.70 -2.02 112.91 111.76 13gs h THR 37 Ca -0.10 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 13gs h THR 37 Cb 0.79 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 13gs h THR 37 CO 0.17 0.15 0.01 -0.25 0.37 0.00 0.00 175.52 175.97 13gs h TRP 38 N 0.80 0.45 0.00 3.16 2.91 -1.12 -2.75 115.95 119.40 13gs h TRP 38 Ca 0.48 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.43 13gs h TRP 38 Cb 0.58 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 13gs h TRP 38 CO -0.04 0.57 0.00 1.04 -1.03 0.00 0.00 178.44 178.98 13gs n GLN 39 N -4.66 0.04 0.14 2.65 6.02 -0.30 -1.97 117.38 119.30 13gs n GLN 39 Ca -0.04 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 13gs n GLN 39 Cb 0.23 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.28 13gs n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 13gs h GLU 40 N 0.00 0.10 0.00 -1.09 4.22 -1.07 -3.48 114.58 113.26 13gs h GLU 40 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 13gs h GLU 40 Cb 0.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 13gs h GLU 40 CO 0.00 0.48 0.00 0.41 -2.18 0.00 0.00 179.01 177.72 13gs n GLY 41 N -0.32 3.03 0.18 1.92 0.00 -0.83 -4.94 105.19 104.23 13gs n GLY 41 Ca -0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 13gs n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 13gs h SER 42 N 0.04 0.49 -0.15 1.61 4.64 -1.85 -1.62 113.55 116.72 13gs h SER 42 Ca 0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 13gs h SER 42 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 13gs h SER 42 CO 0.00 0.39 0.05 0.25 -0.87 0.00 0.00 176.83 176.65 13gs h LEU 43 N 0.54 0.21 -0.40 5.97 6.46 -1.88 -2.68 115.31 123.53 13gs h LEU 43 Ca 0.15 -0.18 0.08 0.00 -0.12 0.00 0.00 57.88 57.80 13gs h LEU 43 Cb -0.01 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.79 13gs h LEU 43 CO -0.03 0.34 -0.05 0.50 -0.62 0.00 0.00 178.44 178.58 13gs h LYS 44 N 0.07 0.05 0.00 1.25 3.64 -1.80 -1.19 116.57 118.59 13gs h LYS 44 Ca 0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 13gs h LYS 44 Cb 0.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 13gs h LYS 44 CO -0.00 0.03 -0.02 0.00 -2.27 0.00 0.00 179.45 177.19 13gs h ALA 45 N 1.37 1.55 0.00 5.00 0.00 -1.19 -1.83 119.26 124.16 13gs h ALA 45 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 13gs h ALA 45 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 13gs h ALA 45 CO -0.36 0.03 -0.56 -1.13 0.00 0.00 0.00 179.25 177.23 13gs n SER 46 N -3.91 0.58 -4.71 0.00 3.41 -0.50 -4.85 113.62 103.65 13gs n SER 46 Ca -0.03 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 13gs n SER 46 Cb 0.11 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 13gs n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 13gs h LEU 48 N 6.85 -1.25 -3.39 0.00 5.85 -1.87 -0.90 115.31 120.59 13gs h LEU 48 Ca -0.41 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 13gs h LEU 48 Cb 1.22 0.65 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 13gs h LEU 48 CO 0.78 -0.30 0.02 -1.22 -0.34 0.00 0.00 178.44 177.38 13gs n TYR 49 N -5.46 1.39 -2.03 1.25 4.01 -1.26 -4.94 117.16 110.12 13gs n TYR 49 Ca 0.07 -0.90 -0.16 0.00 -0.16 0.00 0.00 57.90 56.75 13gs n TYR 49 Cb 0.38 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 13gs n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 13gs n GLY 50 N -0.21 0.33 3.14 2.72 0.00 -0.34 -5.00 105.19 105.83 13gs n GLY 50 Ca 0.25 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 13gs n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 13gs s GLN 51 N -4.32 0.76 0.32 1.61 -0.21 -1.26 -4.93 119.66 111.63 13gs s GLN 51 Ca 0.00 -1.21 0.08 0.00 0.02 0.00 0.00 55.36 54.24 13gs s GLN 51 Cb 0.00 0.25 -0.03 0.00 1.00 0.00 0.00 33.01 34.23 13gs s GLN 51 CO 0.00 -0.19 0.20 -0.51 -2.12 0.00 0.00 175.29 172.67 13gs s LEU 52 N -2.94 3.47 0.71 2.90 1.43 -1.26 -4.70 118.68 118.30 13gs s LEU 52 Ca 0.11 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 13gs s LEU 52 Cb 0.07 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.30 13gs s LEU 52 CO -0.07 -0.27 1.10 -2.16 0.23 0.00 0.00 176.35 175.19 13gs s PRO 53 N -3.90 2.52 -0.02 1.29 0.04 -1.26 -4.92 135.00 128.75 13gs s PRO 53 Ca 0.38 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.79 13gs s PRO 53 Cb -0.05 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 13gs s PRO 53 CO 0.24 -1.45 -0.22 0.21 0.04 0.00 0.00 177.00 175.82 13gs s LYS 54 N -4.46 1.84 0.01 4.56 2.20 -0.87 -3.83 119.74 119.18 13gs s LYS 54 Ca 0.64 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 55.48 13gs s LYS 54 Cb -0.19 -1.76 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 13gs s LYS 54 CO 0.48 0.48 -0.08 0.12 -0.36 0.00 0.00 175.35 175.99 13gs s PHE 55 N -0.50 0.72 -0.05 4.03 5.36 -0.03 -0.78 117.98 126.72 13gs s PHE 55 Ca 0.08 -0.23 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 13gs s PHE 55 Cb -0.09 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.15 13gs s PHE 55 CO -0.01 -0.02 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.94 13gs s GLN 56 N -0.58 1.63 -0.39 10.12 -0.21 -0.32 -0.19 119.66 129.72 13gs s GLN 56 Ca 0.00 -0.49 0.02 0.00 0.02 0.00 0.00 55.36 54.91 13gs s GLN 56 Cb -0.05 -1.39 0.12 0.00 1.00 0.00 0.00 33.01 32.68 13gs s GLN 56 CO 0.00 0.14 0.15 0.34 -2.12 0.00 0.00 175.29 173.80 13gs s ASP 57 N 0.29 4.12 1.52 5.90 -1.08 -0.02 -1.69 116.67 125.72 13gs s ASP 57 Ca -0.08 -2.26 0.00 0.00 -0.52 0.00 0.00 52.55 49.69 13gs s ASP 57 Cb -0.13 -1.20 0.00 0.00 -1.46 0.00 0.00 42.92 40.13 13gs s ASP 57 CO 0.03 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 175.99 13gs n GLY 58 N 4.06 2.79 1.22 2.66 0.00 -0.53 -1.52 105.19 113.86 13gs n GLY 58 Ca 0.04 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.92 13gs n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 13gs n ASP 59 N 7.70 3.77 -4.62 1.61 5.75 -1.26 -4.88 116.55 124.62 13gs n ASP 59 Ca 0.00 -2.01 -0.41 0.00 -0.01 0.00 0.00 54.79 52.36 13gs n ASP 59 Cb 0.00 -0.44 -0.06 0.00 -1.03 0.00 0.00 41.12 39.59 13gs n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 13gs s LEU 60 N -1.02 4.08 -0.19 -2.12 0.20 -0.58 -5.04 118.68 114.02 13gs s LEU 60 Ca 0.44 0.73 -0.05 0.00 0.69 0.00 0.00 54.13 55.94 13gs s LEU 60 Cb 0.23 -2.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 13gs s LEU 60 CO 0.30 -0.47 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.00 13gs s THR 61 N 2.68 3.95 0.21 3.68 2.01 -1.26 -0.84 115.64 126.07 13gs s THR 61 Ca 0.29 -0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.08 13gs s THR 61 Cb -0.15 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 13gs s THR 61 CO 0.09 0.44 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.49 13gs s LEU 62 N 0.90 2.47 0.16 4.42 1.02 0.73 -4.97 118.68 123.41 13gs s LEU 62 Ca 0.01 -0.91 0.03 0.00 0.02 0.00 0.00 54.13 53.28 13gs s LEU 62 Cb -0.14 -1.07 -0.05 0.00 0.02 0.00 0.00 46.19 44.95 13gs s LEU 62 CO 0.02 0.06 -0.04 -0.31 0.02 0.00 0.00 176.35 176.10 13gs s TYR 63 N -1.97 1.20 0.00 0.29 2.02 -1.26 -0.85 117.35 116.78 13gs s TYR 63 Ca 0.22 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 13gs s TYR 63 Cb -0.07 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 13gs s TYR 63 CO 0.10 -0.11 0.00 1.04 -1.57 0.00 0.00 175.55 175.01 13gs n GLN 64 N -0.21 0.00 -0.32 -0.62 1.13 -1.25 -4.58 117.38 111.53 13gs n GLN 64 Ca -0.08 0.41 0.07 0.00 -1.94 0.00 0.00 57.00 55.46 13gs n GLN 64 Cb 0.62 -0.28 0.23 0.00 0.11 0.00 0.00 30.24 30.92 13gs n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 13gs h SER 65 N 0.00 0.68 0.88 1.08 4.64 -1.90 -1.45 113.55 117.48 13gs h SER 65 Ca 0.00 0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 13gs h SER 65 Cb 0.00 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 13gs h SER 65 CO 0.00 0.32 -0.42 0.78 -0.87 0.00 0.00 176.83 176.64 13gs h ASN 66 N 0.75 0.00 -0.36 4.97 2.35 -1.93 -1.28 115.58 120.07 13gs h ASN 66 Ca 0.47 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.13 13gs h ASN 66 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 13gs h ASN 66 CO -0.32 0.42 -0.13 0.74 -1.65 0.00 0.00 177.43 176.49 13gs h THR 67 N 0.00 1.28 -0.41 2.81 2.02 -1.55 -0.90 112.91 116.16 13gs h THR 67 Ca -0.00 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 13gs h THR 67 Cb 0.97 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 13gs h THR 67 CO 0.05 0.41 0.22 0.40 0.37 0.00 0.00 175.52 176.97 13gs h ILE 68 N 0.52 1.15 -0.41 3.11 2.04 -1.09 0.07 117.51 122.90 13gs h ILE 68 Ca 0.09 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 13gs h ILE 68 Cb 0.66 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 13gs h ILE 68 CO 0.04 0.16 0.25 -0.07 0.00 0.00 0.00 178.15 178.53 13gs h LEU 69 N 0.53 0.49 -0.92 1.44 3.38 -1.10 -1.30 115.31 117.82 13gs h LEU 69 Ca 0.14 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 13gs h LEU 69 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 13gs h LEU 69 CO -0.02 0.40 0.06 0.03 0.09 0.00 0.00 178.44 178.99 13gs h ARG 70 N 0.54 0.85 -0.20 1.13 3.08 -0.93 0.17 114.38 119.02 13gs h ARG 70 Ca 0.15 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 13gs h ARG 70 Cb -0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 13gs h ARG 70 CO -0.03 0.81 0.08 1.25 -1.07 0.00 0.00 179.97 181.01 13gs h HIS 71 N 0.80 0.31 -0.47 3.04 2.76 -0.66 0.46 115.15 121.38 13gs h HIS 71 Ca 0.16 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 13gs h HIS 71 Cb 0.40 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 13gs h HIS 71 CO 0.02 0.36 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.91 13gs h LEU 72 N 0.17 0.78 -0.91 0.26 4.07 -1.06 -0.25 115.31 118.36 13gs h LEU 72 Ca 0.07 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 13gs h LEU 72 Cb 0.18 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 13gs h LEU 72 CO -0.01 0.86 0.39 1.23 -1.08 0.00 0.00 178.44 179.84 13gs h GLY 73 N 0.98 1.26 0.56 0.83 0.00 -0.26 0.09 103.07 106.52 13gs h GLY 73 Ca 0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 13gs h GLY 73 CO 0.03 0.59 -0.16 -0.09 0.00 0.00 0.00 176.54 176.91 13gs h ARG 74 N 1.16 0.19 0.00 4.80 2.43 -0.56 0.25 114.38 122.66 13gs h ARG 74 Ca 0.28 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 13gs h ARG 74 Cb 0.11 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 13gs h ARG 74 CO -0.04 0.77 -0.58 1.79 -1.51 0.00 0.00 179.97 180.40 13gs h THR 75 N -0.34 1.17 -0.03 0.20 1.35 -0.98 -3.25 112.91 111.03 13gs h THR 75 Ca -0.01 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 13gs h THR 75 Cb 0.78 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 13gs h THR 75 CO 0.03 0.57 -0.07 0.18 -0.25 0.00 0.00 175.52 175.99 13gs n LEU 76 N -3.48 2.75 -1.39 3.87 4.32 0.01 -4.99 117.00 118.08 13gs n LEU 76 Ca 0.00 -0.93 -0.06 0.00 -0.02 0.00 0.00 56.01 55.00 13gs n LEU 76 Cb 0.67 -0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.49 13gs n LEU 76 CO 0.41 0.46 0.07 0.61 -1.22 0.00 0.00 177.39 177.72 13gs n GLY 77 N 1.35 0.51 2.21 -0.72 0.00 -0.95 -4.98 105.19 102.61 13gs n GLY 77 Ca 0.14 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 13gs n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 13gs n LEU 78 N -1.77 4.90 -2.12 0.99 4.77 0.83 -4.76 117.00 119.84 13gs n LEU 78 Ca -0.01 -4.93 -0.09 0.00 -0.03 0.00 0.00 56.01 50.95 13gs n LEU 78 Cb 0.52 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 13gs n LEU 78 CO 0.18 2.15 0.12 0.00 -1.33 0.00 0.00 177.39 178.51 13gs n TYR 79 N -0.62 1.65 0.00 -1.77 4.19 -1.21 -1.46 117.16 117.94 13gs n TYR 79 Ca 0.42 -1.95 0.00 0.00 3.31 0.00 0.00 57.90 59.68 13gs n TYR 79 Cb 0.84 -0.27 0.00 0.00 0.49 0.00 0.00 39.34 40.40 13gs n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 13gs n GLY 80 N -0.60 -1.47 0.10 2.98 0.00 -1.26 -3.86 105.19 101.07 13gs n GLY 80 Ca 0.24 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.80 13gs n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 13gs n LYS 81 N -1.52 0.55 -3.80 1.61 2.85 -1.26 -4.86 118.16 111.74 13gs n LYS 81 Ca 0.00 0.09 -0.13 0.00 -1.05 0.00 0.00 58.31 57.22 13gs n LYS 81 Cb 0.00 -1.77 -0.02 0.00 -0.65 0.00 0.00 35.03 32.59 13gs n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 13gs n ASP 82 N -2.54 -1.52 -0.09 -5.58 5.68 -1.26 -5.04 116.55 106.21 13gs n ASP 82 Ca 0.00 -2.73 0.01 0.00 -0.50 0.00 0.00 54.79 51.57 13gs n ASP 82 Cb 0.53 2.72 0.29 0.00 -1.14 0.00 0.00 41.12 43.53 13gs n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 13gs h GLN 83 N 0.00 0.72 -0.43 0.11 4.20 -1.94 -0.76 115.11 117.02 13gs h GLN 83 Ca -0.27 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 13gs h GLN 83 Cb 1.14 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 13gs h GLN 83 CO 0.36 0.57 0.19 0.37 -0.67 0.00 0.00 178.83 179.66 13gs h GLN 84 N 0.72 0.62 -0.28 1.46 4.15 -1.98 -1.44 115.11 118.36 13gs h GLN 84 Ca 0.18 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.36 13gs h GLN 84 Cb 0.10 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 13gs h GLN 84 CO -0.02 0.55 -0.40 0.93 -1.93 0.00 0.00 178.83 177.96 13gs h GLU 85 N 0.55 0.67 -0.91 1.69 5.08 -1.82 -2.61 114.58 117.22 13gs h GLU 85 Ca 0.14 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 13gs h GLU 85 Cb 0.14 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 13gs h GLU 85 CO -0.02 0.95 0.57 0.00 -1.00 0.00 0.00 179.01 179.51 13gs h ALA 86 N 1.01 1.15 -0.61 3.43 0.00 -0.92 0.20 119.26 123.52 13gs h ALA 86 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 13gs h ALA 86 Cb 0.92 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 13gs h ALA 86 CO 0.08 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.98 13gs h ALA 87 N 1.31 0.96 -0.16 0.00 0.00 -1.12 -1.30 119.26 118.95 13gs h ALA 87 Ca 0.33 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 13gs h ALA 87 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 13gs h ALA 87 CO -0.07 0.64 -0.49 -0.07 0.00 0.00 0.00 179.25 179.27 13gs h LEU 88 N 0.94 0.46 -0.70 0.00 3.38 -1.00 -1.21 115.31 117.19 13gs h LEU 88 Ca 0.18 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 13gs h LEU 88 Cb 0.46 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 13gs h LEU 88 CO 0.02 0.88 0.24 0.58 0.09 0.00 0.00 178.44 180.24 13gs h VAL 89 N 0.34 1.25 -0.42 1.22 2.07 -0.29 -1.73 116.25 118.69 13gs h VAL 89 Ca 0.02 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 13gs h VAL 89 Cb 0.99 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 13gs h VAL 89 CO 0.09 0.34 0.15 0.44 0.02 0.00 0.00 177.57 178.60 13gs h ASP 90 N 1.03 0.60 -0.62 0.57 3.32 -1.00 -1.64 116.42 118.68 13gs h ASP 90 Ca 0.23 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 13gs h ASP 90 Cb 0.28 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 13gs h ASP 90 CO -0.01 0.62 0.34 -0.03 -1.72 0.00 0.00 179.24 178.45 13gs h MET 91 N 0.53 0.88 -0.15 3.56 4.05 -0.91 -0.80 114.93 122.09 13gs h MET 91 Ca 0.14 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 13gs h MET 91 Cb 0.23 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 13gs h MET 91 CO -0.01 0.65 -0.19 0.28 0.23 0.00 0.00 176.91 177.88 13gs h VAL 92 N 0.89 1.35 -0.92 -5.77 2.07 -1.13 -2.79 116.25 109.95 13gs h VAL 92 Ca 0.23 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.37 13gs h VAL 92 Cb 0.03 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 13gs h VAL 92 CO -0.04 0.41 0.61 -1.13 0.02 0.00 0.00 177.57 177.44 13gs h ASN 93 N 0.03 1.06 -0.37 0.57 -1.24 -0.92 -0.78 115.58 113.92 13gs h ASN 93 Ca 0.02 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 13gs h ASN 93 Cb 0.74 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 13gs h ASN 93 CO 0.05 0.77 0.09 0.44 -1.29 0.00 0.00 177.43 177.48 13gs h ASP 94 N 1.25 0.63 -0.37 1.15 3.32 -1.18 0.32 116.42 121.54 13gs h ASP 94 Ca 0.34 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 13gs h ASP 94 Cb -0.15 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 13gs h ASP 94 CO -0.07 0.65 -0.01 1.23 -1.72 0.00 0.00 179.24 179.32 13gs h GLY 95 N 0.89 0.71 1.00 2.75 0.00 -1.07 -1.15 103.07 106.19 13gs h GLY 95 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.95 13gs h GLY 95 CO 0.00 0.48 0.23 -2.08 0.00 0.00 0.00 176.54 175.18 13gs h VAL 96 N 0.47 1.10 -0.81 4.60 2.07 -0.63 -2.46 116.25 120.59 13gs h VAL 96 Ca 0.10 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.43 13gs h VAL 96 Cb 0.47 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 13gs h VAL 96 CO 0.02 0.10 0.52 -0.08 0.02 0.00 0.00 177.57 178.14 13gs h GLU 97 N 0.48 1.08 -0.42 1.57 4.57 -0.81 0.10 114.58 121.16 13gs h GLU 97 Ca 0.13 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 13gs h GLU 97 Cb -0.04 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.30 13gs h GLU 97 CO -0.03 0.74 0.19 -0.44 -1.18 0.00 0.00 179.01 178.29 13gs h ASP 98 N 1.11 0.55 0.31 1.04 3.32 -0.82 -1.07 116.42 120.87 13gs h ASP 98 Ca 0.30 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 13gs h ASP 98 Cb -0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 13gs h ASP 98 CO -0.06 0.53 -0.59 0.25 -1.72 0.00 0.00 179.24 177.66 13gs h LEU 99 N 0.53 0.31 -0.94 1.55 5.85 -1.06 -2.97 115.31 118.59 13gs h LEU 99 Ca 0.14 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 13gs h LEU 99 Cb 0.13 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 13gs h LEU 99 CO -0.02 0.83 0.41 -0.09 -0.34 0.00 0.00 178.44 179.23 13gs h ARG 100 N 0.21 1.17 -0.75 1.25 2.43 -0.42 -1.06 114.38 117.22 13gs h ARG 100 Ca -0.00 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 13gs h ARG 100 Cb 1.09 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 13gs h ARG 100 CO 0.09 0.89 0.31 0.00 -1.51 0.00 0.00 179.97 179.75 13gs h LYS 102 N 1.08 0.97 -0.35 0.00 1.57 -1.29 -1.27 116.57 117.29 13gs h LYS 102 Ca 0.25 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 13gs h LYS 102 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 13gs h LYS 102 CO -0.02 1.03 0.18 -0.92 -0.57 0.00 0.00 179.45 179.14 13gs h TYR 103 N 0.84 0.48 -0.67 -1.35 3.20 -0.69 -0.97 116.97 117.81 13gs h TYR 103 Ca 0.14 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 13gs h TYR 103 Cb 0.64 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 13gs h TYR 103 CO 0.05 0.40 0.21 0.82 -1.64 0.00 0.00 178.16 177.99 13gs h ILE 104 N 0.43 1.25 -0.39 1.81 2.04 -0.89 -0.65 117.51 121.11 13gs h ILE 104 Ca 0.12 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 13gs h ILE 104 Cb 0.09 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 13gs h ILE 104 CO -0.02 0.33 0.18 -1.28 0.00 0.00 0.00 178.15 177.37 13gs h SER 105 N 1.00 0.51 0.73 1.72 0.87 -0.94 -1.13 113.55 116.31 13gs h SER 105 Ca 0.22 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 13gs h SER 105 Cb 0.29 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 13gs h SER 105 CO -0.01 0.51 -0.47 0.25 -0.53 0.00 0.00 176.83 176.59 13gs h LEU 106 N 0.49 -1.18 -0.70 2.23 5.85 -0.81 0.49 115.31 121.67 13gs h LEU 106 Ca 0.13 0.07 0.14 0.00 0.84 0.00 0.00 57.88 59.06 13gs h LEU 106 Cb 0.14 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 13gs h LEU 106 CO -0.02 -0.71 0.22 0.40 -0.34 0.00 0.00 178.44 177.99 13gs h ILE 107 N -1.13 0.62 0.00 4.05 1.08 -1.01 -0.37 117.51 120.76 13gs h ILE 107 Ca -0.10 -0.12 -0.22 0.00 -0.39 0.00 0.00 64.86 64.04 13gs h ILE 107 Cb 0.91 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 13gs h ILE 107 CO 0.09 0.06 -2.05 -1.22 -0.69 0.00 0.00 178.15 174.34 13gs n TYR 108 N -5.08 0.24 -0.09 1.37 4.01 -0.44 -4.43 117.16 112.75 13gs n TYR 108 Ca 0.13 0.08 -0.13 0.00 -0.16 0.00 0.00 57.90 57.81 13gs n TYR 108 Cb 0.39 -0.88 -0.06 0.00 -0.31 0.00 0.00 39.34 38.48 13gs n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 13gs n THR 109 N -2.65 1.47 -3.00 -0.72 -1.04 0.17 -4.86 114.28 103.66 13gs n THR 109 Ca -0.19 0.09 -0.16 0.00 -2.04 0.00 0.00 64.05 61.74 13gs n THR 109 Cb 0.92 -2.22 -0.01 0.00 -1.82 0.00 0.00 70.33 67.20 13gs n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 13gs n ASN 110 N -4.52 -0.97 0.16 8.00 2.04 -0.86 -4.99 115.26 114.11 13gs n ASN 110 Ca -0.20 -3.04 -0.14 0.00 -0.44 0.00 0.00 54.58 50.76 13gs n ASN 110 Cb 0.47 0.42 -0.08 0.00 -2.53 0.00 0.00 39.78 38.07 13gs n ASN 110 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 13gs h TYR 111 N 3.74 -0.31 0.38 -2.53 3.20 -1.30 -1.81 116.97 118.34 13gs h TYR 111 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 13gs h TYR 111 Cb 0.96 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 13gs h TYR 111 CO 0.27 -0.17 -0.22 0.93 -1.64 0.00 0.00 178.16 177.33 13gs h GLU 112 N -0.36 -0.54 -0.07 1.82 3.07 -1.94 -2.67 114.58 113.89 13gs h GLU 112 Ca -0.03 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 13gs h GLU 112 Cb 0.27 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 13gs h GLU 112 CO 0.06 -0.36 -0.09 0.00 -1.40 0.00 0.00 179.01 177.21 13gs h ALA 113 N 0.04 0.11 -0.04 3.43 0.00 -1.98 -3.37 119.26 117.45 13gs h ALA 113 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.56 13gs h ALA 113 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 13gs h ALA 113 CO 0.05 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.66 13gs n GLY 114 N 0.29 0.20 0.32 0.00 0.00 -0.68 -4.41 105.19 100.91 13gs n GLY 114 Ca -0.07 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.48 13gs n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 13gs h LYS 115 N 2.71 0.76 -0.15 1.61 3.64 -1.63 -1.52 116.57 122.00 13gs h LYS 115 Ca 0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 13gs h LYS 115 Cb 0.58 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 13gs h LYS 115 CO 0.00 0.54 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.19 13gs h ASP 116 N 0.78 0.33 -0.41 4.20 3.32 -1.86 -1.77 116.42 121.02 13gs h ASP 116 Ca 0.21 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 13gs h ASP 116 Cb -0.03 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 13gs h ASP 116 CO -0.04 0.69 0.18 0.44 -1.72 0.00 0.00 179.24 178.78 13gs h ASP 117 N -0.02 0.55 -0.18 6.45 3.32 -1.82 -2.38 116.42 122.34 13gs h ASP 117 Ca 0.03 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 56.98 13gs h ASP 117 Cb 0.57 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 13gs h ASP 117 CO 0.02 0.56 -0.17 0.22 -1.72 0.00 0.00 179.24 178.15 13gs h TYR 118 N 0.52 -0.43 0.00 4.55 5.03 -1.25 -1.19 116.97 124.20 13gs h TYR 118 Ca 0.14 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.45 13gs h TYR 118 Cb 0.16 0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.66 13gs h TYR 118 CO -0.00 -0.24 -0.14 0.28 -1.32 0.00 0.00 178.16 176.73 13gs h VAL 119 N -0.18 0.71 -0.08 1.81 2.07 -1.21 -1.51 116.25 117.86 13gs h VAL 119 Ca 0.12 -0.58 -0.22 0.00 0.82 0.00 0.00 66.70 66.84 13gs h VAL 119 Cb 0.35 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.49 13gs h VAL 119 CO -0.29 0.14 -0.83 0.11 0.02 0.00 0.00 177.57 176.71 13gs h LYS 120 N 0.00 0.58 0.00 1.57 1.57 -0.82 -3.20 116.57 116.27 13gs h LYS 120 Ca -0.00 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 13gs h LYS 120 Cb 0.35 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.78 13gs h LYS 120 CO 0.02 1.14 -0.13 0.00 -0.57 0.00 0.00 179.45 179.91 13gs n ALA 121 N -2.57 2.42 -0.14 3.86 0.00 -0.53 -4.31 120.51 119.24 13gs n ALA 121 Ca -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 13gs n ALA 121 Cb 0.77 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.83 13gs n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 13gs h LEU 122 N 0.00 -0.70 -0.93 0.00 6.46 -1.28 -2.07 115.31 116.80 13gs h LEU 122 Ca 0.00 0.17 0.18 0.00 -0.12 0.00 0.00 57.88 58.11 13gs h LEU 122 Cb 0.74 0.39 -0.11 0.00 -0.73 0.00 0.00 40.66 40.96 13gs h LEU 122 CO 0.00 -0.23 0.51 -0.65 -0.62 0.00 0.00 178.44 177.45 13gs h PRO 123 N -0.10 0.63 -0.10 5.25 0.11 -1.79 0.22 132.00 136.22 13gs h PRO 123 Ca 0.22 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 13gs h PRO 123 Cb 0.45 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 13gs h PRO 123 CO -0.53 0.42 -0.14 0.78 -0.21 0.00 0.00 178.00 178.31 13gs h GLY 124 N 0.65 0.16 2.00 -0.55 0.00 -1.67 -1.67 103.07 101.99 13gs h GLY 124 Ca 0.53 -0.10 -0.20 0.00 0.00 0.00 0.00 47.33 47.57 13gs h GLY 124 CO -0.40 0.09 -0.93 1.46 0.00 0.00 0.00 176.54 176.76 13gs h GLN 125 N 0.15 0.00 0.00 4.80 1.08 -0.41 -3.32 115.11 117.40 13gs h GLN 125 Ca 0.03 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 13gs h GLN 125 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 13gs h GLN 125 CO 0.02 0.93 -0.86 -0.07 -0.95 0.00 0.00 178.83 177.90 13gs h LEU 126 N 0.00 0.00 -0.66 1.46 3.38 -0.82 -3.39 115.31 115.28 13gs h LEU 126 Ca -0.01 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.10 13gs h LEU 126 Cb 1.66 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.31 13gs h LEU 126 CO 0.12 0.32 0.07 0.50 0.09 0.00 0.00 178.44 179.55 13gs h LYS 127 N 0.00 0.17 -1.00 1.13 3.64 -1.42 -2.12 116.57 116.97 13gs h LYS 127 Ca -0.06 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.48 13gs h LYS 127 Cb 1.29 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.98 13gs h LYS 127 CO 0.03 0.12 0.62 -1.35 -2.27 0.00 0.00 179.45 176.60 13gs h PRO 128 N 0.18 0.83 -0.12 1.90 0.11 -1.79 -0.09 132.00 133.01 13gs h PRO 128 Ca 0.35 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 13gs h PRO 128 Cb 0.58 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 13gs h PRO 128 CO -0.51 0.55 -0.56 0.74 -0.21 0.00 0.00 178.00 178.01 13gs h PHE 129 N 0.86 0.47 -0.60 0.65 0.04 -1.66 0.18 116.94 116.87 13gs h PHE 129 Ca 0.54 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 61.06 13gs h PHE 129 Cb 0.73 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 13gs h PHE 129 CO -0.00 0.85 0.06 1.49 -0.60 0.00 0.00 178.31 180.10 13gs h GLU 130 N 0.29 1.03 -0.33 1.51 4.57 -1.13 -1.73 114.58 118.78 13gs h GLU 130 Ca 0.00 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 13gs h GLU 130 Cb 1.07 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 13gs h GLU 130 CO 0.09 0.98 -0.04 1.15 -1.18 0.00 0.00 179.01 180.02 13gs h THR 131 N 0.93 1.27 -0.48 0.32 2.02 -0.76 -1.12 112.91 115.09 13gs h THR 131 Ca 0.18 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.34 13gs h THR 131 Cb 0.48 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 13gs h THR 131 CO 0.02 0.34 0.27 -0.07 0.37 0.00 0.00 175.52 176.45 13gs h LEU 132 N 0.41 0.43 -0.43 2.58 3.38 -0.80 -2.26 115.31 118.61 13gs h LEU 132 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 13gs h LEU 132 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 13gs h LEU 132 CO 0.02 0.30 0.27 0.25 0.09 0.00 0.00 178.44 179.38 13gs h LEU 133 N 0.54 0.50 -2.02 1.67 5.85 -1.22 -2.38 115.31 118.26 13gs h LEU 133 Ca 0.20 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 13gs h LEU 133 Cb 0.05 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 13gs h LEU 133 CO -0.10 0.39 -0.07 0.77 -0.34 0.00 0.00 178.44 179.08 13gs h SER 134 N 0.57 0.00 0.70 1.25 4.64 -0.81 0.15 113.55 120.05 13gs h SER 134 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 13gs h SER 134 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 13gs h SER 134 CO -0.03 0.07 -0.16 0.00 -0.87 0.00 0.00 176.83 175.84 13gs n GLN 135 N -4.10 0.18 -3.70 4.77 6.02 -0.89 -3.62 117.38 116.04 13gs n GLN 135 Ca -0.03 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.54 13gs n GLN 135 Cb 0.16 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 13gs n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 13gs s ASN 136 N -2.85 5.40 -1.52 1.08 2.47 -0.55 -4.71 114.94 114.27 13gs s ASN 136 Ca 0.17 -2.11 -0.16 0.00 0.42 0.00 0.00 52.86 51.19 13gs s ASN 136 Cb 0.19 -1.89 0.14 0.00 -1.45 0.00 0.00 41.25 38.24 13gs s ASN 136 CO 0.56 -0.57 0.65 0.00 -3.72 0.00 0.00 177.10 174.02 13gs n GLN 137 N 4.54 -2.97 -1.80 0.43 6.02 -1.26 -0.82 117.38 121.51 13gs n GLN 137 Ca -0.02 0.36 -0.14 0.00 -0.01 0.00 0.00 57.00 57.18 13gs n GLN 137 Cb 0.41 -5.06 -0.04 0.00 1.02 0.00 0.00 30.24 26.57 13gs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 13gs n GLY 138 N -1.24 0.71 2.23 1.08 0.00 -1.24 -2.90 105.19 103.84 13gs n GLY 138 Ca 0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 13gs n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 13gs n GLY 139 N -1.13 0.86 0.05 -0.02 0.00 0.43 -4.79 105.19 100.58 13gs n GLY 139 Ca -0.15 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.37 13gs n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 13gs n LYS 140 N -2.62 0.23 0.00 1.61 4.76 -1.14 -4.81 118.16 116.18 13gs n LYS 140 Ca -0.06 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 13gs n LYS 140 Cb 0.23 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 13gs n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 13gs n THR 141 N -1.99 0.00 -3.71 -0.18 -2.24 -1.26 -5.12 114.28 99.78 13gs n THR 141 Ca 0.04 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 13gs n THR 141 Cb 0.42 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 13gs n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 13gs n PHE 142 N 0.00 -0.94 0.04 4.78 3.72 -1.25 -5.01 117.46 118.79 13gs n PHE 142 Ca 0.00 -2.24 -0.01 0.00 -0.05 0.00 0.00 57.45 55.15 13gs n PHE 142 Cb 0.00 -0.46 0.27 0.00 -0.94 0.00 0.00 39.48 38.35 13gs n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 13gs h ILE 143 N 0.55 1.23 -3.38 4.37 6.09 -1.97 -3.42 117.51 120.98 13gs h ILE 143 Ca -0.33 -1.05 -0.38 0.00 -1.37 0.00 0.00 64.86 61.73 13gs h ILE 143 Cb 1.24 1.23 -0.36 0.00 0.47 0.00 0.00 36.82 39.40 13gs h ILE 143 CO 0.50 0.34 -0.75 -0.69 -3.07 0.00 0.00 178.15 174.48 13gs s VAL 144 N -4.65 0.20 0.00 2.19 1.01 -1.26 -4.68 120.40 113.22 13gs s VAL 144 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.07 13gs s VAL 144 Cb 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.18 13gs s VAL 144 CO 0.77 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.67 13gs n GLY 145 N 4.67 -0.49 0.70 4.51 0.00 -1.26 -4.34 105.19 108.99 13gs n GLY 145 Ca -0.16 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 44.83 13gs n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 13gs n ASP 146 N -1.41 3.26 -4.23 1.61 5.68 -1.26 -3.87 116.55 116.33 13gs n ASP 146 Ca 0.00 -2.43 -0.20 0.00 -0.50 0.00 0.00 54.79 51.66 13gs n ASP 146 Cb 0.00 -0.35 -0.12 0.00 -1.14 0.00 0.00 41.12 39.51 13gs n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 13gs s GLN 147 N -1.77 0.97 0.46 0.11 -2.07 -1.26 -4.87 119.66 111.23 13gs s GLN 147 Ca 0.30 -1.10 -0.22 0.00 -1.82 0.00 0.00 55.36 52.52 13gs s GLN 147 Cb 0.21 -1.02 -0.08 0.00 -1.09 0.00 0.00 33.01 31.03 13gs s GLN 147 CO 0.12 0.22 1.13 -1.50 -1.32 0.00 0.00 175.29 173.94 13gs s ILE 148 N -1.48 3.28 0.33 3.63 2.07 -1.26 -4.79 121.20 122.97 13gs s ILE 148 Ca 0.04 0.93 0.03 0.00 -1.41 0.00 0.00 60.65 60.23 13gs s ILE 148 Cb -0.09 -3.45 -0.05 0.00 0.13 0.00 0.00 42.46 39.00 13gs s ILE 148 CO 0.03 -0.05 0.09 -0.94 -1.91 0.00 0.00 174.94 172.17 13gs s SER 149 N -1.50 2.11 0.48 4.50 1.04 -1.26 -4.64 113.70 114.42 13gs s SER 149 Ca 0.64 -1.46 0.23 0.00 0.48 0.00 0.00 55.95 55.83 13gs s SER 149 Cb -0.26 0.15 1.22 0.00 0.10 0.00 0.00 66.02 67.23 13gs s SER 149 CO 0.31 -0.74 2.00 2.19 0.98 0.00 0.00 173.24 177.99 13gs h PHE 150 N 2.11 0.00 0.00 5.02 -5.15 -1.60 -2.18 116.94 115.14 13gs h PHE 150 Ca -0.38 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.32 13gs h PHE 150 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.41 13gs h PHE 150 CO 0.80 0.18 -0.30 0.00 -2.00 0.00 0.00 178.31 176.98 13gs h ALA 151 N 1.82 1.43 -0.33 12.09 0.00 -1.86 -2.58 119.26 129.82 13gs h ALA 151 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 13gs h ALA 151 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 13gs h ALA 151 CO 0.02 0.38 0.13 -0.44 0.00 0.00 0.00 179.25 179.34 13gs h ASP 152 N 0.00 0.46 -0.33 0.00 3.32 -1.79 0.79 116.42 118.87 13gs h ASP 152 Ca -0.00 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 13gs h ASP 152 Cb 0.56 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 13gs h ASP 152 CO 0.04 0.50 -0.11 1.88 -1.72 0.00 0.00 179.24 179.84 13gs h TYR 153 N 0.39 0.83 -0.29 4.55 0.05 -1.57 0.93 116.97 121.85 13gs h TYR 153 Ca 0.11 -0.15 -0.11 0.00 0.05 0.00 0.00 58.73 58.63 13gs h TYR 153 Cb 0.19 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 13gs h TYR 153 CO -0.00 0.82 -0.27 -0.97 -1.05 0.00 0.00 178.16 176.69 13gs h ASN 154 N 0.68 0.74 -0.48 3.88 -1.24 -1.24 -2.03 115.58 115.89 13gs h ASN 154 Ca 0.12 -0.46 -0.07 0.00 0.71 0.00 0.00 56.30 56.59 13gs h ASN 154 Cb 0.58 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.40 13gs h ASN 154 CO 0.04 1.05 0.01 0.25 -1.29 0.00 0.00 177.43 177.48 13gs h LEU 155 N 0.44 0.83 -0.41 0.34 5.85 -0.68 -2.01 115.31 119.67 13gs h LEU 155 Ca 0.05 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.51 13gs h LEU 155 Cb 0.83 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 13gs h LEU 155 CO 0.07 0.93 0.17 0.25 -0.34 0.00 0.00 178.44 179.51 13gs h LEU 156 N 0.70 0.21 -0.45 2.25 5.85 -0.75 -0.93 115.31 122.18 13gs h LEU 156 Ca 0.14 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.90 13gs h LEU 156 Cb 0.50 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 13gs h LEU 156 CO 0.02 0.16 0.29 -0.78 -0.34 0.00 0.00 178.44 177.79 13gs h ASP 157 N 0.35 0.52 -0.85 1.25 3.58 -1.19 -0.79 116.42 119.28 13gs h ASP 157 Ca 0.19 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.64 13gs h ASP 157 Cb 0.15 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 13gs h ASP 157 CO -0.17 0.39 0.55 0.25 -2.88 0.00 0.00 179.24 177.38 13gs h LEU 158 N 0.60 0.92 -0.43 2.28 5.85 -0.84 -1.32 115.31 122.37 13gs h LEU 158 Ca 0.16 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 13gs h LEU 158 Cb -0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 13gs h LEU 158 CO -0.03 0.64 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.49 13gs h LEU 159 N 1.08 0.87 -0.79 2.25 3.38 -0.83 -2.47 115.31 118.79 13gs h LEU 159 Ca 0.33 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 13gs h LEU 159 Cb -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 13gs h LEU 159 CO -0.11 1.05 0.23 -0.07 0.09 0.00 0.00 178.44 179.64 13gs h LEU 160 N 0.68 1.06 -0.66 1.67 3.38 -0.79 -1.72 115.31 118.93 13gs h LEU 160 Ca 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 13gs h LEU 160 Cb 0.70 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 13gs h LEU 160 CO 0.05 0.98 -0.12 0.16 0.09 0.00 0.00 178.44 179.60 13gs h ILE 161 N 1.09 0.24 0.00 1.22 3.07 -1.19 -2.88 117.51 119.06 13gs h ILE 161 Ca 0.24 -1.05 -0.14 0.00 1.55 0.00 0.00 64.86 65.45 13gs h ILE 161 Cb 0.30 1.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.70 13gs h ILE 161 CO -0.01 0.11 -0.69 0.45 -1.05 0.00 0.00 178.15 176.97 13gs h HIS 162 N 0.00 0.00 0.00 0.16 3.86 -1.10 -2.34 115.15 115.73 13gs h HIS 162 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 13gs h HIS 162 Cb 0.86 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 13gs h HIS 162 CO 0.00 0.69 -0.24 0.93 0.86 0.00 0.00 177.93 180.16 13gs h GLU 163 N 0.00 0.00 0.20 2.45 4.39 -1.11 0.32 114.58 120.83 13gs h GLU 163 Ca -0.01 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 13gs h GLU 163 Cb 1.53 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.20 13gs h GLU 163 CO 0.09 0.24 -1.50 0.28 -1.16 0.00 0.00 179.01 176.96 13gs h VAL 164 N 0.00 1.24 -0.05 3.13 2.07 -1.41 -2.73 116.25 118.49 13gs h VAL 164 Ca -0.00 -2.74 -0.02 0.00 0.82 0.00 0.00 66.70 64.75 13gs h VAL 164 Cb 0.66 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 13gs h VAL 164 CO 0.03 0.84 -0.06 0.25 0.02 0.00 0.00 177.57 178.65 13gs h LEU 165 N 0.12 0.15 -6.75 2.57 5.85 -1.09 -3.39 115.31 112.76 13gs h LEU 165 Ca -0.25 -0.50 -0.60 0.00 0.84 0.00 0.00 57.88 57.37 13gs h LEU 165 Cb 2.10 -0.04 -0.40 0.00 0.37 0.00 0.00 40.66 42.69 13gs h LEU 165 CO 0.23 0.62 -0.78 0.00 -0.34 0.00 0.00 178.44 178.16 13gs s ALA 166 N -4.22 2.37 0.14 1.25 0.00 0.11 -5.09 121.76 116.31 13gs s ALA 166 Ca -0.15 -2.94 -0.35 0.00 0.00 0.00 0.00 51.96 48.52 13gs s ALA 166 Cb 0.03 -1.85 -0.16 0.00 0.00 0.00 0.00 23.12 21.14 13gs s ALA 166 CO 0.71 -2.04 1.32 -2.30 0.00 0.00 0.00 175.76 173.45 13gs n PRO 167 N 2.72 1.35 -0.73 0.00 -0.02 -1.03 -1.72 135.00 135.57 13gs n PRO 167 Ca 0.21 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 13gs n PRO 167 Cb 0.40 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 13gs n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 13gs n GLY 168 N 2.44 0.80 0.30 -1.23 0.00 -1.26 -4.93 105.19 101.31 13gs n GLY 168 Ca 0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.35 13gs n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 13gs n LEU 170 N -3.51 1.15 -0.09 0.00 4.32 -1.26 -4.21 117.00 113.39 13gs n LEU 170 Ca -0.02 -0.32 0.06 0.00 -0.02 0.00 0.00 56.01 55.71 13gs n LEU 170 Cb 0.14 -0.10 0.41 0.00 -1.62 0.00 0.00 43.42 42.25 13gs n LEU 170 CO 0.26 0.21 1.19 0.44 -1.22 0.00 0.00 177.39 178.27 13gs h ASP 171 N 1.48 0.53 0.51 -1.43 3.32 -1.76 -0.91 116.42 118.16 13gs h ASP 171 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 13gs h ASP 171 Cb 0.51 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.94 13gs h ASP 171 CO 0.00 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.88 13gs n ALA 172 N -2.47 2.42 -3.93 3.45 0.00 -1.26 -4.47 120.51 114.25 13gs n ALA 172 Ca 0.07 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 13gs n ALA 172 Cb 0.18 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.03 13gs n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 13gs s PHE 173 N -2.54 3.30 0.26 0.00 0.08 -0.35 -4.98 117.98 113.76 13gs s PHE 173 Ca 0.28 -3.23 -0.01 0.00 0.12 0.00 0.00 56.93 54.09 13gs s PHE 173 Cb 0.19 -2.78 0.52 0.00 -0.57 0.00 0.00 43.02 40.38 13gs s PHE 173 CO 0.43 -0.68 1.79 -1.00 -0.10 0.00 0.00 175.22 175.66 13gs h PRO 174 N 6.13 0.73 -0.22 0.24 0.13 -1.78 -0.46 132.00 136.77 13gs h PRO 174 Ca -0.01 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 13gs h PRO 174 Cb 0.85 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 13gs h PRO 174 CO 0.70 0.48 -0.38 -0.07 -0.23 0.00 0.00 178.00 178.50 13gs h LEU 175 N 0.75 0.72 -0.57 1.56 4.07 -1.93 -2.23 115.31 117.67 13gs h LEU 175 Ca 0.46 -0.53 -0.10 0.00 0.08 0.00 0.00 57.88 57.79 13gs h LEU 175 Cb 0.57 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 13gs h LEU 175 CO -0.32 1.11 -0.02 -0.07 -1.08 0.00 0.00 178.44 178.06 13gs h LEU 176 N 0.35 1.01 -0.36 1.67 3.38 -1.85 -0.76 115.31 118.74 13gs h LEU 176 Ca 0.02 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.68 13gs h LEU 176 Cb 0.97 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 13gs h LEU 176 CO 0.09 1.08 0.22 0.28 0.09 0.00 0.00 178.44 180.20 13gs h SER 177 N 0.91 0.37 -0.12 -0.43 0.02 -1.08 -0.99 113.55 112.23 13gs h SER 177 Ca 0.16 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 13gs h SER 177 Cb 0.58 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 13gs h SER 177 CO 0.03 0.27 -0.22 0.00 -1.14 0.00 0.00 176.83 175.77 13gs h ALA 178 N 1.15 1.07 -0.30 3.77 0.00 -1.27 -2.67 119.26 121.01 13gs h ALA 178 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 13gs h ALA 178 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 13gs h ALA 178 CO -0.05 0.57 0.12 -0.92 0.00 0.00 0.00 179.25 178.96 13gs h TYR 179 N 0.49 0.46 -0.39 0.00 3.20 -0.76 -0.75 116.97 119.23 13gs h TYR 179 Ca 0.07 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 13gs h TYR 179 Cb 0.65 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 13gs h TYR 179 CO 0.02 0.45 0.18 0.28 -1.64 0.00 0.00 178.16 177.46 13gs h VAL 180 N 0.34 1.17 -0.69 1.81 2.07 -1.11 -1.09 116.25 118.76 13gs h VAL 180 Ca 0.10 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 13gs h VAL 180 Cb 0.19 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 13gs h VAL 180 CO -0.01 0.19 0.18 1.23 0.02 0.00 0.00 177.57 179.18 13gs h GLY 181 N 0.49 1.16 0.78 2.17 0.00 -1.37 -0.58 103.07 105.72 13gs h GLY 181 Ca 0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 13gs h GLY 181 CO -0.02 0.65 -0.03 -0.09 0.00 0.00 0.00 176.54 177.06 13gs h ARG 182 N 1.03 0.31 -0.25 4.80 2.43 -0.93 -2.86 114.38 118.92 13gs h ARG 182 Ca 0.22 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 13gs h ARG 182 Cb 0.34 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 13gs h ARG 182 CO -0.00 0.56 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.50 13gs h LEU 183 N 0.02 0.69 -1.47 3.80 3.38 -1.15 -2.90 115.31 117.69 13gs h LEU 183 Ca 0.04 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.68 13gs h LEU 183 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 13gs h LEU 183 CO 0.01 1.04 0.00 0.28 0.09 0.00 0.00 178.44 179.86 13gs h SER 184 N 0.51 0.00 0.20 -0.43 0.02 -1.11 -2.64 113.55 110.10 13gs h SER 184 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 13gs h SER 184 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 13gs h SER 184 CO 0.09 0.00 -0.46 0.00 -1.14 0.00 0.00 176.83 175.32 13gs n ALA 185 N -1.87 3.52 -1.72 3.77 0.00 -1.08 -3.92 120.51 119.20 13gs n ALA 185 Ca -0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 13gs n ALA 185 Cb 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 13gs n ALA 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 13gs s ARG 186 N -2.67 4.12 0.10 0.00 0.52 -1.00 -4.77 118.95 115.25 13gs s ARG 186 Ca 0.18 2.62 -0.19 0.00 -0.52 0.00 0.00 55.73 57.81 13gs s ARG 186 Cb 0.18 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 13gs s ARG 186 CO 0.62 -0.75 1.21 -2.30 0.02 0.00 0.00 175.30 174.09 13gs n PRO 187 N 3.84 -0.27 -0.12 3.54 -0.02 -1.26 0.02 135.00 140.72 13gs n PRO 187 Ca 0.15 1.19 -0.09 0.00 -2.02 0.00 0.00 63.50 62.73 13gs n PRO 187 Cb 0.35 -1.75 0.05 0.00 -0.02 0.00 0.00 33.50 32.13 13gs n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 13gs h LYS 188 N 0.00 0.88 -0.32 -0.52 1.57 -1.89 -2.15 116.57 114.13 13gs h LYS 188 Ca 0.10 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 13gs h LYS 188 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 13gs h LYS 188 CO -0.59 1.01 0.05 1.25 -0.57 0.00 0.00 179.45 180.60 13gs h LEU 189 N 0.76 0.51 -0.44 2.94 6.46 -1.67 -1.14 115.31 122.73 13gs h LEU 189 Ca 0.10 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 13gs h LEU 189 Cb 0.76 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 13gs h LEU 189 CO 0.06 0.65 0.25 0.50 -0.62 0.00 0.00 178.44 179.28 13gs h LYS 190 N 0.35 0.49 -0.54 1.25 3.64 -0.36 0.14 116.57 121.55 13gs h LYS 190 Ca 0.10 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 13gs h LYS 190 Cb 0.36 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 13gs h LYS 190 CO 0.01 0.33 0.33 0.00 -2.27 0.00 0.00 179.45 177.85 13gs h ALA 191 N 1.21 0.68 -0.26 5.00 0.00 -1.26 -2.64 119.26 121.99 13gs h ALA 191 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 13gs h ALA 191 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 13gs h ALA 191 CO -0.09 0.15 0.05 0.35 0.00 0.00 0.00 179.25 179.71 13gs h PHE 192 N 0.72 0.45 0.00 0.00 3.57 -0.66 -2.63 116.94 118.39 13gs h PHE 192 Ca 0.19 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 13gs h PHE 192 Cb -0.03 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 13gs h PHE 192 CO -0.03 0.53 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.50 13gs h LEU 193 N 0.25 0.00 -0.85 0.59 3.38 -0.62 -1.66 115.31 116.40 13gs h LEU 193 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 13gs h LEU 193 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 13gs h LEU 193 CO 0.00 0.01 -0.41 0.00 0.09 0.00 0.00 178.44 178.13 13gs n ALA 194 N -2.10 3.41 -1.82 1.53 0.00 -1.01 -4.44 120.51 116.08 13gs n ALA 194 Ca -0.02 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.53 13gs n ALA 194 Cb 0.16 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 13gs n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 13gs s SER 195 N -2.48 6.66 0.35 0.00 1.04 -0.62 -4.84 113.70 113.80 13gs s SER 195 Ca 0.20 1.63 0.07 0.00 0.48 0.00 0.00 55.95 58.34 13gs s SER 195 Cb 0.18 -2.52 0.77 0.00 0.10 0.00 0.00 66.02 64.55 13gs s SER 195 CO 0.56 -0.56 1.89 -0.65 0.98 0.00 0.00 173.24 175.45 13gs h PRO 196 N 1.22 0.73 -0.94 4.02 0.11 -1.93 0.99 132.00 136.20 13gs h PRO 196 Ca -0.48 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 65.74 13gs h PRO 196 Cb 1.19 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 32.05 13gs h PRO 196 CO 0.61 0.48 0.60 1.49 -0.21 0.00 0.00 178.00 180.97 13gs h GLU 197 N 0.75 0.76 0.00 1.05 4.81 -1.93 -0.69 114.58 119.33 13gs h GLU 197 Ca 0.42 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.57 13gs h GLU 197 Cb 0.59 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 13gs h GLU 197 CO -0.19 0.50 -0.81 0.98 -0.73 0.00 0.00 179.01 178.76 13gs n TYR 198 N -4.60 0.57 -0.35 0.92 9.36 -0.68 -4.50 117.16 117.88 13gs n TYR 198 Ca 0.19 0.25 0.06 0.00 3.32 0.00 0.00 57.90 61.71 13gs n TYR 198 Cb 0.46 -0.70 0.22 0.00 -0.63 0.00 0.00 39.34 38.68 13gs n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 13gs h VAL 199 N -1.00 0.92 -0.15 2.97 2.07 -0.88 -2.63 116.25 117.56 13gs h VAL 199 Ca -0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.14 13gs h VAL 199 Cb 0.78 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 13gs h VAL 199 CO -0.03 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.32 13gs n ASN 200 N -4.64 0.98 -4.68 0.57 3.02 -0.27 -4.76 115.26 105.48 13gs n ASN 200 Ca 0.17 -2.03 -0.35 0.00 -0.03 0.00 0.00 54.58 52.35 13gs n ASN 200 Cb 0.33 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.24 13gs n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 13gs s LEU 201 N -0.94 3.78 0.65 3.41 1.02 -0.99 -5.05 118.68 120.55 13gs s LEU 201 Ca 0.10 0.15 -0.14 0.00 0.02 0.00 0.00 54.13 54.27 13gs s LEU 201 Cb 0.06 -1.92 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 13gs s LEU 201 CO 0.06 0.28 1.07 -2.16 0.02 0.00 0.00 176.35 175.62 13gs s PRO 202 N -0.28 3.05 0.05 1.29 0.04 -1.26 -4.73 135.00 133.16 13gs s PRO 202 Ca 0.08 1.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 13gs s PRO 202 Cb -0.12 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 13gs s PRO 202 CO 0.02 -1.02 1.45 0.82 0.04 0.00 0.00 177.00 178.30 13gs h ILE 203 N -0.12 1.28 -2.06 0.56 2.04 -1.96 -1.28 117.51 115.98 13gs h ILE 203 Ca -0.46 -0.94 -0.59 0.00 1.00 0.00 0.00 64.86 63.87 13gs h ILE 203 Cb 1.22 1.62 -0.14 0.00 -0.74 0.00 0.00 36.82 38.79 13gs h ILE 203 CO 0.56 0.27 -0.66 0.20 0.00 0.00 0.00 178.15 178.52 13gs s ASN 204 N -5.82 3.53 0.16 1.72 0.01 -1.26 -0.97 114.94 112.31 13gs s ASN 204 Ca -0.14 -1.23 0.26 0.00 -0.71 0.00 0.00 52.86 51.04 13gs s ASN 204 Cb 0.05 -0.32 0.92 0.00 0.41 0.00 0.00 41.25 42.32 13gs s ASN 204 CO 0.72 -0.28 1.78 0.61 -1.51 0.00 0.00 177.10 178.42 13gs n GLY 205 N -0.78 -1.55 1.06 0.66 0.00 -1.26 -3.57 105.19 99.75 13gs n GLY 205 Ca -0.05 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.04 13gs n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 13gs n ASN 206 N -2.04 3.50 0.00 1.61 6.94 -1.26 -4.96 115.26 119.05 13gs n ASN 206 Ca 0.05 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 13gs n ASN 206 Cb 0.36 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 13gs n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 13gs n GLY 207 N 1.20 2.47 3.87 4.83 0.00 -1.23 -5.02 105.19 111.31 13gs n GLY 207 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 13gs n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13gs s LYS 208 N -0.07 3.84 0.00 1.61 1.02 -1.26 -4.99 119.74 119.89 13gs s LYS 208 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.44 13gs s LYS 208 Cb 0.00 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 13gs s LYS 208 CO 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 175.35 174.56