#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk4 s ARG 2 N 0.00 0.39 -0.47 7.34 1.70 -0.25 -4.95 118.95 122.71 1wk4 s ARG 2 Ca 0.00 -0.17 -0.11 0.00 -0.47 0.00 0.00 55.73 54.98 1wk4 s ARG 2 Cb 0.00 -0.38 0.10 0.00 -0.57 0.00 0.00 34.95 34.10 1wk4 s ARG 2 CO 0.00 0.10 0.35 0.42 -1.08 0.00 0.00 175.30 175.09 1wk4 s ILE 3 N -0.10 4.56 0.00 4.99 1.09 -1.26 -1.10 121.20 129.39 1wk4 s ILE 3 Ca 0.02 -1.49 0.00 0.00 -1.10 0.00 0.00 60.65 58.08 1wk4 s ILE 3 Cb -0.02 -3.87 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 1wk4 s ILE 3 CO -0.00 -0.67 0.00 -2.11 -0.10 0.00 0.00 174.94 172.06 1wk4 n ARG 4 N 5.02 3.79 -3.24 2.79 1.85 -0.65 -4.94 116.66 121.28 1wk4 n ARG 4 Ca -0.10 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.47 1wk4 n ARG 4 Cb 0.42 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.80 1wk4 n ARG 4 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1wk4 s ARG 5 N 1.22 3.60 -0.32 2.89 6.06 -1.26 -2.33 118.95 128.80 1wk4 s ARG 5 Ca 0.00 -0.03 -0.22 0.00 -2.50 0.00 0.00 55.73 52.99 1wk4 s ARG 5 Cb 0.00 -2.61 -0.00 0.00 0.06 0.00 0.00 34.95 32.40 1wk4 s ARG 5 CO 0.00 0.14 0.70 0.00 -2.50 0.00 0.00 175.30 173.64 1wk4 s ALA 6 N -2.22 3.50 0.58 6.12 0.00 -1.20 -4.60 121.76 123.95 1wk4 s ALA 6 Ca 0.44 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 1wk4 s ALA 6 Cb -0.10 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1wk4 s ALA 6 CO 0.33 -1.22 0.97 0.20 0.00 0.00 0.00 175.76 176.05 1wk4 s GLY 7 N 1.69 1.64 0.28 0.00 0.00 -1.26 -4.97 107.32 104.70 1wk4 s GLY 7 Ca 0.28 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.86 1wk4 s GLY 7 CO 0.13 0.07 1.69 -2.00 0.00 0.00 0.00 173.10 172.99 1wk4 h LEU 8 N -0.15 0.41 -1.40 0.66 6.46 -1.96 -1.26 115.31 118.06 1wk4 h LEU 8 Ca -0.45 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 1wk4 h LEU 8 Cb 1.19 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1wk4 h LEU 8 CO 0.62 0.73 0.00 -1.84 -0.62 0.00 0.00 178.44 177.33 1wk4 n GLU 9 N -4.07 0.98 -0.01 1.25 0.28 -1.26 -1.95 120.64 115.85 1wk4 n GLU 9 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.00 1wk4 n GLU 9 Cb 0.45 -1.30 -0.05 0.00 1.43 0.00 0.00 31.44 31.97 1wk4 n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wk4 n ASP 10 N 0.21 3.46 -0.32 -1.84 10.43 -0.48 -4.73 116.55 123.28 1wk4 n ASP 10 Ca 0.00 0.00 0.21 0.00 2.57 0.00 0.00 54.79 57.57 1wk4 n ASP 10 Cb 0.34 1.06 0.42 0.00 1.84 0.00 0.00 41.12 44.79 1wk4 n ASP 10 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1wk4 h LEU 11 N 0.00 0.20 0.15 0.64 3.38 -1.43 -2.54 115.31 115.72 1wk4 h LEU 11 Ca -0.06 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1wk4 h LEU 11 Cb 0.71 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1wk4 h LEU 11 CO 0.00 -0.23 -0.10 -0.65 0.09 0.00 0.00 178.44 177.55 1wk4 h PRO 12 N 0.19 -0.23 0.00 1.13 0.11 -1.85 0.67 132.00 132.02 1wk4 h PRO 12 Ca 0.69 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.82 1wk4 h PRO 12 Cb 1.58 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.74 1wk4 h PRO 12 CO -0.69 -0.15 0.38 0.78 -0.21 0.00 0.00 178.00 178.10 1wk4 h GLY 13 N -0.24 0.00 0.13 -0.55 0.00 -1.81 0.63 103.07 101.23 1wk4 h GLY 13 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.02 1wk4 h GLY 13 CO 0.01 0.00 -1.56 -0.62 0.00 0.00 0.00 176.54 174.37 1wk4 n VAL 14 N -2.13 1.59 0.24 4.60 0.31 -0.92 -2.58 118.33 119.44 1wk4 n VAL 14 Ca -0.01 -0.20 0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1wk4 n VAL 14 Cb 0.40 -1.95 0.65 0.00 -0.91 0.00 0.00 33.84 32.02 1wk4 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wk4 h ALA 15 N -0.41 1.19 0.00 3.52 0.00 0.61 0.14 119.26 124.31 1wk4 h ALA 15 Ca -0.40 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1wk4 h ALA 15 Cb 1.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1wk4 h ALA 15 CO -0.17 -0.19 -1.66 2.89 0.00 0.00 0.00 179.25 180.12 1wk4 n ARG 16 N -2.49 0.70 0.21 0.00 -4.01 -0.47 -3.10 116.66 107.50 1wk4 n ARG 16 Ca -0.02 -0.10 0.06 0.00 -1.04 0.00 0.00 57.85 56.75 1wk4 n ARG 16 Cb 0.27 -1.32 0.45 0.00 -3.04 0.00 0.00 32.46 28.82 1wk4 n ARG 16 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1wk4 h VAL 17 N 0.00 1.01 0.00 8.89 2.07 -0.51 -2.15 116.25 125.56 1wk4 h VAL 17 Ca -0.06 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1wk4 h VAL 17 Cb 0.83 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1wk4 h VAL 17 CO 0.00 0.29 -0.13 0.25 0.02 0.00 0.00 177.57 178.00 1wk4 h LEU 18 N 0.00 0.00 -0.35 2.57 6.46 -1.42 -3.09 115.31 119.48 1wk4 h LEU 18 Ca -0.00 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1wk4 h LEU 18 Cb 0.60 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.46 1wk4 h LEU 18 CO 0.04 0.38 -0.50 0.58 -0.62 0.00 0.00 178.44 178.32 1wk4 h VAL 19 N -0.62 0.00 -0.11 1.05 2.07 -1.60 0.55 116.25 117.59 1wk4 h VAL 19 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1wk4 h VAL 19 Cb 0.13 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1wk4 h VAL 19 CO 0.00 0.00 -0.36 0.44 0.02 0.00 0.00 177.57 177.67 1wk4 h ASP 20 N -0.36 -1.15 -1.05 0.57 5.19 -1.61 -0.49 116.42 117.52 1wk4 h ASP 20 Ca 0.06 0.14 0.29 0.00 -0.62 0.00 0.00 57.03 56.90 1wk4 h ASP 20 Cb 0.53 0.45 -0.06 0.00 0.18 0.00 0.00 39.33 40.44 1wk4 h ASP 20 CO -0.52 -0.31 0.74 0.74 -3.12 0.00 0.00 179.24 176.76 1wk4 h THR 21 N -0.37 0.49 -0.27 0.35 2.02 -1.30 0.28 112.91 114.12 1wk4 h THR 21 Ca 0.02 -0.04 -0.19 0.00 0.77 0.00 0.00 66.41 66.97 1wk4 h THR 21 Cb 0.44 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1wk4 h THR 21 CO -0.30 0.02 -0.58 -0.25 0.37 0.00 0.00 175.52 174.79 1wk4 h TRP 22 N 0.13 1.07 -0.04 3.16 7.01 0.16 -2.52 115.95 124.92 1wk4 h TRP 22 Ca 0.53 -0.39 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1wk4 h TRP 22 Cb 1.86 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 28.72 1wk4 h TRP 22 CO -0.00 1.22 -0.07 0.00 -2.79 0.00 0.00 178.44 176.80 1wk4 h ARG 23 N 0.64 0.12 0.00 2.65 3.08 0.70 -0.41 114.38 121.16 1wk4 h ARG 23 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1wk4 h ARG 23 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1wk4 h ARG 23 CO 0.13 0.63 0.00 0.00 -1.07 0.00 0.00 179.97 179.66 1wk4 n ALA 24 N -2.40 1.40 0.00 0.04 0.00 0.60 -3.11 120.51 117.04 1wk4 n ALA 24 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 1wk4 n ALA 24 Cb 0.32 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1wk4 n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wk4 n THR 25 N -1.35 0.92 0.20 0.00 -1.04 -0.95 -4.83 114.28 107.23 1wk4 n THR 25 Ca 0.02 0.27 -0.07 0.00 -2.04 0.00 0.00 64.05 62.24 1wk4 n THR 25 Cb 0.05 -1.65 0.08 0.00 -1.82 0.00 0.00 70.33 66.99 1wk4 n THR 25 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1wk4 n TYR 26 N -3.43 1.07 -2.80 -1.42 4.02 -0.17 -4.85 117.16 109.58 1wk4 n TYR 26 Ca -0.03 -0.88 -0.40 0.00 -0.01 0.00 0.00 57.90 56.57 1wk4 n TYR 26 Cb 0.13 -0.47 -0.05 0.00 -0.02 0.00 0.00 39.34 38.93 1wk4 n TYR 26 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1wk4 s ARG 27 N -1.28 4.72 0.00 -0.72 3.52 -1.18 -1.27 118.95 122.74 1wk4 s ARG 27 Ca 0.21 1.39 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 1wk4 s ARG 27 Cb 0.17 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1wk4 s ARG 27 CO 0.04 0.38 0.00 0.41 -0.81 0.00 0.00 175.30 175.33 1wk4 n GLY 28 N 1.89 3.03 0.10 8.12 0.00 -1.26 -4.73 105.19 112.34 1wk4 n GLY 28 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1wk4 n GLY 28 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wk4 h VAL 29 N 0.00 1.04 -3.37 1.61 2.07 -1.83 -3.47 116.25 112.30 1wk4 h VAL 29 Ca 0.00 -2.18 -0.67 0.00 0.82 0.00 0.00 66.70 64.67 1wk4 h VAL 29 Cb 0.00 2.36 -0.14 0.00 -1.52 0.00 0.00 31.29 31.99 1wk4 h VAL 29 CO 0.00 0.35 -0.64 -0.69 0.02 0.00 0.00 177.57 176.61 1wk4 s VAL 30 N -2.34 4.18 0.32 2.57 1.01 -0.40 -5.07 120.40 120.68 1wk4 s VAL 30 Ca -0.27 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 1wk4 s VAL 30 Cb 0.04 -2.83 -0.14 0.00 0.00 0.00 0.00 36.38 33.46 1wk4 s VAL 30 CO 0.60 0.45 0.69 -2.65 0.00 0.00 0.00 175.10 174.20 1wk4 n PRO 31 N 1.65 0.69 -0.11 2.72 -0.02 -1.26 -4.75 135.00 133.92 1wk4 n PRO 31 Ca -0.16 0.25 -0.06 0.00 -2.02 0.00 0.00 63.50 61.51 1wk4 n PRO 31 Cb 0.53 -1.49 0.13 0.00 -0.02 0.00 0.00 33.50 32.65 1wk4 n PRO 31 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wk4 h GLU 32 N 1.26 0.81 -0.91 -0.52 4.57 -1.96 -2.92 114.58 114.91 1wk4 h GLU 32 Ca -0.37 -0.25 0.09 0.00 -1.18 0.00 0.00 59.36 57.66 1wk4 h GLU 32 Cb 1.39 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 29.84 1wk4 h GLU 32 CO 0.56 0.85 0.59 0.00 -1.18 0.00 0.00 179.01 179.83 1wk4 h ALA 33 N 1.19 1.59 -0.27 2.92 0.00 -1.94 -0.86 119.26 121.89 1wk4 h ALA 33 Ca 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1wk4 h ALA 33 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wk4 h ALA 33 CO 0.03 0.23 -0.18 0.35 0.00 0.00 0.00 179.25 179.69 1wk4 h PHE 34 N 0.94 0.53 -0.00 0.00 3.57 -1.86 -2.44 116.94 117.68 1wk4 h PHE 34 Ca 0.42 -0.09 -0.16 0.00 3.53 0.00 0.00 57.97 61.67 1wk4 h PHE 34 Cb 0.36 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1wk4 h PHE 34 CO -0.00 0.64 -0.75 -0.07 -2.23 0.00 0.00 178.31 175.90 1wk4 h LEU 35 N 0.44 0.03 -2.54 0.59 3.38 -1.24 -2.79 115.31 113.18 1wk4 h LEU 35 Ca 0.08 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1wk4 h LEU 35 Cb 0.56 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1wk4 h LEU 35 CO 0.04 0.76 0.12 -0.62 0.09 0.00 0.00 178.44 178.83 1wk4 n GLU 36 N -3.67 1.24 0.00 1.13 1.02 -0.44 -2.85 120.64 117.07 1wk4 n GLU 36 Ca -0.01 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.59 1wk4 n GLU 36 Cb 0.72 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1wk4 n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wk4 n GLY 37 N 0.41 0.00 3.61 0.62 0.00 -1.05 -4.99 105.19 103.78 1wk4 n GLY 37 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1wk4 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wk4 s LEU 38 N -1.69 3.66 -0.21 0.99 1.02 -1.13 -4.96 118.68 116.35 1wk4 s LEU 38 Ca 0.00 1.37 -0.22 0.00 0.02 0.00 0.00 54.13 55.30 1wk4 s LEU 38 Cb 0.00 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.66 1wk4 s LEU 38 CO 0.00 -1.50 0.72 -0.55 0.02 0.00 0.00 176.35 175.03 1wk4 s SER 39 N 5.12 6.75 0.30 2.29 0.15 -1.26 -4.94 113.70 122.11 1wk4 s SER 39 Ca 0.75 0.92 0.05 0.00 0.70 0.00 0.00 55.95 58.37 1wk4 s SER 39 Cb -0.22 -2.39 0.77 0.00 -1.71 0.00 0.00 66.02 62.47 1wk4 s SER 39 CO 0.32 -0.38 1.69 1.88 1.20 0.00 0.00 173.24 177.95 1wk4 h TYR 40 N 7.59 0.65 0.39 3.44 -1.99 -1.93 -2.43 116.97 122.69 1wk4 h TYR 40 Ca -0.28 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.47 1wk4 h TYR 40 Cb 1.12 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.72 1wk4 h TYR 40 CO 0.73 -0.08 -0.19 0.93 -0.00 0.00 0.00 178.16 179.55 1wk4 h GLU 41 N 0.37 -0.50 -1.34 4.88 3.07 -1.92 -3.21 114.58 115.94 1wk4 h GLU 41 Ca 0.58 0.03 0.39 0.00 -0.50 0.00 0.00 59.36 59.86 1wk4 h GLU 41 Cb 1.15 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 29.12 1wk4 h GLU 41 CO -0.56 -0.33 1.20 0.78 -1.40 0.00 0.00 179.01 178.70 1wk4 h GLY 42 N -0.97 0.00 0.08 -3.84 0.00 -1.88 0.16 103.07 96.63 1wk4 h GLY 42 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1wk4 h GLY 42 CO 0.09 0.00 -0.05 1.46 0.00 0.00 0.00 176.54 178.03 1wk4 h GLN 43 N 0.00 0.02 0.00 4.80 1.08 -1.50 -2.78 115.11 116.72 1wk4 h GLN 43 Ca 0.64 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.80 1wk4 h GLN 43 Cb 3.03 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 30.48 1wk4 h GLN 43 CO -0.01 0.98 -0.02 0.00 -0.95 0.00 0.00 178.83 178.83 1wk4 h ALA 44 N 0.05 1.66 -0.13 3.87 0.00 -0.74 -1.15 119.26 122.82 1wk4 h ALA 44 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1wk4 h ALA 44 Cb 1.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wk4 h ALA 44 CO 0.01 0.03 -0.70 0.93 0.00 0.00 0.00 179.25 179.52 1wk4 h GLU 45 N 0.00 0.56 -0.47 0.00 5.08 -1.27 -3.13 114.58 115.35 1wk4 h GLU 45 Ca -0.00 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1wk4 h GLU 45 Cb 0.05 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1wk4 h GLU 45 CO 0.00 1.05 0.23 0.00 -1.00 0.00 0.00 179.01 179.30 1wk4 h ARG 46 N 0.40 0.68 -0.98 2.33 3.08 -0.92 -2.13 114.38 116.83 1wk4 h ARG 46 Ca -0.03 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1wk4 h ARG 46 Cb 1.28 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1wk4 h ARG 46 CO 0.13 0.57 0.06 0.91 -1.07 0.00 0.00 179.97 180.57 1wk4 n TRP 47 N -4.64 0.41 0.00 3.04 7.02 -1.04 -3.11 117.44 119.12 1wk4 n TRP 47 Ca 0.01 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 56.00 1wk4 n TRP 47 Cb 0.11 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 28.72 1wk4 n TRP 47 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wk4 n ALA 48 N 0.20 1.90 1.33 6.99 0.00 -0.82 -4.29 120.51 125.81 1wk4 n ALA 48 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.54 1wk4 n ALA 48 Cb 0.58 0.26 0.08 0.00 0.00 0.00 0.00 19.45 20.37 1wk4 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wk4 n GLN 49 N -1.92 1.48 0.00 0.00 10.64 -1.09 -2.77 117.38 123.72 1wk4 n GLN 49 Ca 0.00 -0.67 0.00 0.00 -1.83 0.00 0.00 57.00 54.50 1wk4 n GLN 49 Cb 0.44 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.62 1wk4 n GLN 49 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1wk4 n ARG 50 N 0.05 2.44 -0.04 2.61 3.00 -1.25 -4.77 116.66 118.69 1wk4 n ARG 50 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.76 1wk4 n ARG 50 Cb 0.19 -0.81 -0.14 0.00 0.00 0.00 0.00 32.46 31.70 1wk4 n ARG 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1wk4 n LEU 51 N -1.39 1.83 0.00 6.15 -0.00 -1.24 -3.97 117.00 118.38 1wk4 n LEU 51 Ca 0.00 0.19 0.08 0.00 -0.00 0.00 0.00 56.01 56.28 1wk4 n LEU 51 Cb 0.29 -0.49 0.41 0.00 -0.00 0.00 0.00 43.42 43.63 1wk4 n LEU 51 CO 0.00 0.68 0.70 1.17 -0.00 0.00 0.00 177.39 179.95 1wk4 n LYS 52 N -3.22 0.30 -3.81 1.47 4.81 -1.12 -3.87 118.16 112.73 1wk4 n LYS 52 Ca -0.30 0.10 -0.33 0.00 -0.87 0.00 0.00 58.31 56.92 1wk4 n LYS 52 Cb 1.05 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 34.50 1wk4 n LYS 52 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1wk4 s THR 53 N -2.41 3.35 0.00 3.15 -1.32 -1.25 -5.00 115.64 112.16 1wk4 s THR 53 Ca 0.17 -3.48 -0.00 0.00 -1.21 0.00 0.00 61.69 57.18 1wk4 s THR 53 Cb 0.10 -3.20 -0.00 0.00 -1.51 0.00 0.00 72.50 67.90 1wk4 s THR 53 CO 0.22 -0.92 0.26 -2.65 -2.21 0.00 0.00 174.62 169.32 1wk4 n PRO 54 N 2.89 0.03 -0.91 7.08 -0.02 -1.25 -3.71 135.00 139.11 1wk4 n PRO 54 Ca 0.12 -0.01 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1wk4 n PRO 54 Cb 0.35 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.41 1wk4 n PRO 54 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1wk4 n THR 55 N 2.41 0.74 -3.66 3.45 5.66 -1.26 -5.03 114.28 116.58 1wk4 n THR 55 Ca 0.00 -1.47 -0.12 0.00 -3.05 0.00 0.00 64.05 59.42 1wk4 n THR 55 Cb 0.01 0.46 -0.12 0.00 -1.55 0.00 0.00 70.33 69.14 1wk4 n THR 55 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1wk4 s TRP 56 N -1.10 -0.56 -0.37 1.09 -0.11 -1.24 -5.03 118.94 111.61 1wk4 s TRP 56 Ca 0.28 1.18 0.00 0.00 1.22 0.00 0.00 56.10 58.78 1wk4 s TRP 56 Cb 0.29 0.10 0.00 0.00 -1.50 0.00 0.00 33.47 32.36 1wk4 s TRP 56 CO -0.09 -0.40 0.22 -2.30 -4.62 0.00 0.00 176.95 169.77 1wk4 n PRO 57 N 5.30 0.00 -1.66 5.86 -0.02 -1.26 -4.71 135.00 138.51 1wk4 n PRO 57 Ca -0.08 0.02 -0.50 0.00 -2.02 0.00 0.00 63.50 60.93 1wk4 n PRO 57 Cb 0.50 -1.59 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 1wk4 n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wk4 n GLY 58 N -0.72 1.27 2.89 -1.23 0.00 -1.26 -4.59 105.19 101.54 1wk4 n GLY 58 Ca 0.00 0.88 -0.29 0.00 0.00 0.00 0.00 46.02 46.61 1wk4 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wk4 s ARG 59 N 4.35 2.17 0.42 1.61 0.52 -0.69 -5.01 118.95 122.31 1wk4 s ARG 59 Ca 0.96 -2.96 -0.24 0.00 -0.52 0.00 0.00 55.73 52.96 1wk4 s ARG 59 Cb -0.75 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 31.38 1wk4 s ARG 59 CO 0.53 -1.22 1.15 -1.17 0.02 0.00 0.00 175.30 174.61 1wk4 s LEU 60 N -0.87 4.12 0.17 2.53 1.98 -1.26 -3.44 118.68 121.90 1wk4 s LEU 60 Ca 0.22 2.27 0.06 0.00 -2.89 0.00 0.00 54.13 53.79 1wk4 s LEU 60 Cb -0.13 -4.13 -0.04 0.00 0.66 0.00 0.00 46.19 42.54 1wk4 s LEU 60 CO -0.09 -0.73 -0.12 -0.36 -1.89 0.00 0.00 176.35 173.16 1wk4 s PHE 61 N -1.51 1.42 0.02 5.38 0.40 -0.04 -3.25 117.98 120.41 1wk4 s PHE 61 Ca 0.59 -0.69 -0.07 0.00 -0.60 0.00 0.00 56.93 56.17 1wk4 s PHE 61 Cb -0.28 -0.70 -0.00 0.00 0.51 0.00 0.00 43.02 42.55 1wk4 s PHE 61 CO 0.35 0.18 0.13 0.08 0.70 0.00 0.00 175.22 176.66 1wk4 s VAL 62 N -3.18 0.10 -0.10 -0.44 1.01 -0.98 -2.59 120.40 114.21 1wk4 s VAL 62 Ca 0.18 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1wk4 s VAL 62 Cb 0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1wk4 s VAL 62 CO 0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 175.10 174.58 1wk4 s ALA 63 N -1.84 2.81 0.07 5.51 0.00 0.13 -1.63 121.76 126.81 1wk4 s ALA 63 Ca -0.11 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1wk4 s ALA 63 Cb -0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1wk4 s ALA 63 CO -0.01 0.39 -0.17 -2.00 0.00 0.00 0.00 175.76 173.98 1wk4 s GLU 64 N -0.17 0.99 0.20 0.00 2.12 -0.26 -1.57 118.70 120.00 1wk4 s GLU 64 Ca 0.01 -0.96 0.01 0.00 0.36 0.00 0.00 54.97 54.39 1wk4 s GLU 64 Cb -0.13 -1.08 0.04 0.00 0.26 0.00 0.00 34.13 33.22 1wk4 s GLU 64 CO 0.03 0.25 0.27 -1.13 -0.54 0.00 0.00 175.26 174.14 1wk4 n SER 65 N 1.43 0.50 0.00 -1.70 3.41 -1.02 -1.09 113.62 115.15 1wk4 n SER 65 Ca -0.20 -1.39 0.15 0.00 -0.26 0.00 0.00 58.87 57.17 1wk4 n SER 65 Cb 0.54 -0.16 0.83 0.00 -0.26 0.00 0.00 64.21 65.16 1wk4 n SER 65 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wk4 n GLU 66 N -1.47 0.69 -0.51 4.33 4.07 -1.26 -0.69 120.64 125.80 1wk4 n GLU 66 Ca 0.05 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.25 1wk4 n GLU 66 Cb 0.18 -1.50 0.33 0.00 -0.06 0.00 0.00 31.44 30.38 1wk4 n GLU 66 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1wk4 n SER 67 N -1.15 4.38 -3.80 4.31 2.88 -1.26 -4.98 113.62 114.00 1wk4 n SER 67 Ca 0.18 -2.34 -0.27 0.00 -1.33 0.00 0.00 58.87 55.11 1wk4 n SER 67 Cb 0.17 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1wk4 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk4 n GLY 68 N 1.09 -1.24 3.50 0.46 0.00 0.14 -4.98 105.19 104.15 1wk4 n GLY 68 Ca 0.24 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.72 1wk4 n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wk4 s GLU 69 N -5.26 1.45 -0.85 1.61 -1.05 -1.26 -4.86 118.70 108.47 1wk4 s GLU 69 Ca 0.08 -1.29 -0.22 0.00 -0.15 0.00 0.00 54.97 53.39 1wk4 s GLU 69 Cb -0.04 0.43 0.08 0.00 -0.44 0.00 0.00 34.13 34.16 1wk4 s GLU 69 CO 0.90 -0.58 1.18 0.08 0.95 0.00 0.00 175.26 177.79 1wk4 s VAL 70 N -4.03 4.30 -0.27 1.83 1.01 -1.26 -2.45 120.40 119.53 1wk4 s VAL 70 Ca 0.24 -0.80 0.13 0.00 0.00 0.00 0.00 61.98 61.55 1wk4 s VAL 70 Cb 0.01 -4.84 0.80 0.00 0.00 0.00 0.00 36.38 32.35 1wk4 s VAL 70 CO 0.08 -1.64 1.77 1.33 0.00 0.00 0.00 175.10 176.64 1wk4 n VAL 71 N 6.06 2.82 0.00 2.92 0.24 -0.61 -4.82 118.33 124.94 1wk4 n VAL 71 Ca 0.16 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 1wk4 n VAL 71 Cb 0.49 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1wk4 n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wk4 n GLY 72 N 0.41 3.97 3.55 7.63 0.00 -1.25 -2.84 105.19 116.66 1wk4 n GLY 72 Ca 0.32 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1wk4 n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wk4 s PHE 73 N -2.00 0.74 -0.00 1.61 -0.12 -1.06 0.20 117.98 117.35 1wk4 s PHE 73 Ca 0.00 -1.07 -0.05 0.00 -0.05 0.00 0.00 56.93 55.77 1wk4 s PHE 73 Cb 0.00 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.48 1wk4 s PHE 73 CO 0.00 -1.13 0.09 0.00 -0.05 0.00 0.00 175.22 174.13 1wk4 s ALA 74 N -3.29 -0.20 -0.48 1.99 0.00 -1.07 -1.93 121.76 116.78 1wk4 s ALA 74 Ca 0.27 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1wk4 s ALA 74 Cb -0.01 0.06 0.18 0.00 0.00 0.00 0.00 23.12 23.35 1wk4 s ALA 74 CO 0.16 -0.16 0.40 0.00 0.00 0.00 0.00 175.76 176.15 1wk4 n ALA 75 N 1.80 2.99 -1.66 0.00 0.00 0.14 -0.86 120.51 122.92 1wk4 n ALA 75 Ca -0.21 -3.50 -0.29 0.00 0.00 0.00 0.00 53.44 49.43 1wk4 n ALA 75 Cb 0.56 -0.82 0.10 0.00 0.00 0.00 0.00 19.45 19.29 1wk4 n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wk4 s PHE 76 N -0.46 2.79 -2.01 0.00 0.40 -1.22 -2.41 117.98 115.07 1wk4 s PHE 76 Ca 0.31 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 1wk4 s PHE 76 Cb 0.03 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1wk4 s PHE 76 CO -0.18 -1.94 0.00 0.41 0.70 0.00 0.00 175.22 174.21 1wk4 n GLY 77 N -2.52 -1.23 3.76 4.36 0.00 -1.17 -1.71 105.19 106.68 1wk4 n GLY 77 Ca 0.07 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1wk4 n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wk4 s PRO 78 N -0.80 4.42 -0.25 1.61 0.02 -1.26 -2.91 135.00 135.83 1wk4 s PRO 78 Ca 0.00 1.91 -0.37 0.00 0.02 0.00 0.00 61.00 62.55 1wk4 s PRO 78 Cb 0.00 -3.02 -0.14 0.00 0.02 0.00 0.00 34.50 31.36 1wk4 s PRO 78 CO 0.00 -0.02 1.90 -3.47 -0.33 0.00 0.00 177.00 175.08 1wk4 n ASP 79 N 0.80 2.58 -1.61 2.53 2.03 -1.24 -4.59 116.55 117.06 1wk4 n ASP 79 Ca 0.01 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1wk4 n ASP 79 Cb 0.45 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1wk4 n ASP 79 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wk4 n ARG 80 N 6.45 0.61 -3.31 -0.67 1.74 -1.26 -4.68 116.66 115.54 1wk4 n ARG 80 Ca 0.30 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.22 1wk4 n ARG 80 Cb 0.19 -1.20 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1wk4 n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wk4 n ALA 81 N 1.57 -2.66 -0.03 7.54 0.00 -1.26 -4.92 120.51 120.75 1wk4 n ALA 81 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1wk4 n ALA 81 Cb 0.30 -1.85 -0.10 0.00 0.00 0.00 0.00 19.45 17.81 1wk4 n ALA 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wk4 h SER 82 N 0.82 0.12 0.00 0.00 0.02 -1.93 -3.48 113.55 109.11 1wk4 h SER 82 Ca -0.28 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1wk4 h SER 82 Cb 1.19 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1wk4 h SER 82 CO 0.29 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 1wk4 n GLY 83 N 0.46 -0.20 3.20 -3.77 0.00 -1.26 -5.09 105.19 98.53 1wk4 n GLY 83 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1wk4 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wk4 s PHE 84 N -0.74 3.51 -0.30 1.61 0.40 -1.26 -5.04 117.98 116.17 1wk4 s PHE 84 Ca 0.00 -2.18 -0.36 0.00 -0.60 0.00 0.00 56.93 53.79 1wk4 s PHE 84 Cb 0.00 -3.49 -0.12 0.00 0.51 0.00 0.00 43.02 39.93 1wk4 s PHE 84 CO 0.00 -0.94 2.08 -2.30 0.70 0.00 0.00 175.22 174.75 1wk4 n PRO 85 N 4.19 1.28 0.00 0.24 -0.02 -1.26 -1.80 135.00 137.63 1wk4 n PRO 85 Ca 0.03 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1wk4 n PRO 85 Cb 0.41 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1wk4 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wk4 n GLY 86 N 5.85 1.28 3.40 -1.23 0.00 -1.26 -5.08 105.19 108.14 1wk4 n GLY 86 Ca 0.36 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.93 1wk4 n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk4 s TYR 87 N -0.66 3.07 -1.42 1.61 1.51 -0.75 -4.78 117.35 115.94 1wk4 s TYR 87 Ca 0.00 -0.84 0.21 0.00 -1.01 0.00 0.00 57.07 55.43 1wk4 s TYR 87 Cb 0.00 -3.72 1.04 0.00 -0.11 0.00 0.00 41.96 39.16 1wk4 s TYR 87 CO 0.00 -1.12 1.65 -2.37 -1.11 0.00 0.00 175.55 172.61 1wk4 n THR 88 N 5.50 0.37 -3.87 -0.71 5.66 -1.13 -4.78 114.28 115.32 1wk4 n THR 88 Ca -0.09 0.09 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1wk4 n THR 88 Cb 0.43 -0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 68.45 1wk4 n THR 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wk4 s ALA 89 N -2.58 -0.90 0.36 1.79 0.00 -0.91 -3.61 121.76 115.90 1wk4 s ALA 89 Ca 0.19 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 1wk4 s ALA 89 Cb 0.14 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.13 1wk4 s ALA 89 CO 0.32 -0.99 0.60 -1.83 0.00 0.00 0.00 175.76 173.86 1wk4 s GLU 90 N -3.49 2.03 -0.69 0.00 -1.05 -1.15 0.76 118.70 115.11 1wk4 s GLU 90 Ca 0.14 -1.61 0.01 0.00 -0.15 0.00 0.00 54.97 53.36 1wk4 s GLU 90 Cb -0.05 0.52 0.17 0.00 -0.44 0.00 0.00 34.13 34.33 1wk4 s GLU 90 CO 0.09 -0.89 0.51 -1.17 0.95 0.00 0.00 175.26 174.74 1wk4 s LEU 91 N -3.16 5.04 0.35 1.83 0.20 -0.11 -3.03 118.68 119.80 1wk4 s LEU 91 Ca 0.24 -3.36 0.14 0.00 0.69 0.00 0.00 54.13 51.85 1wk4 s LEU 91 Cb -0.02 -1.78 1.15 0.00 -0.43 0.00 0.00 46.19 45.11 1wk4 s LEU 91 CO 0.16 -0.22 1.58 -0.50 -0.29 0.00 0.00 176.35 177.08 1wk4 h TRP 92 N 6.26 0.53 -1.40 5.38 4.06 -1.80 -3.43 115.95 125.56 1wk4 h TRP 92 Ca 0.06 0.05 0.18 0.00 2.06 0.00 0.00 58.89 61.23 1wk4 h TRP 92 Cb 0.86 -0.06 -0.23 0.00 -1.00 0.00 0.00 29.16 28.72 1wk4 h TRP 92 CO 0.67 -0.46 0.74 0.00 -3.56 0.00 0.00 178.44 175.83 1wk4 s ALA 93 N -5.69 -2.02 -0.24 1.49 0.00 -1.22 -5.00 121.76 109.08 1wk4 s ALA 93 Ca -0.10 1.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.45 1wk4 s ALA 93 Cb 0.32 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.74 1wk4 s ALA 93 CO 0.78 -0.36 0.50 -1.50 0.00 0.00 0.00 175.76 175.18 1wk4 s ILE 94 N -1.45 -0.78 -0.25 0.00 2.07 -1.26 0.24 121.20 119.76 1wk4 s ILE 94 Ca 0.05 0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.34 1wk4 s ILE 94 Cb -0.01 -0.80 0.08 0.00 0.13 0.00 0.00 42.46 41.87 1wk4 s ILE 94 CO -0.04 0.03 0.10 -0.31 -1.91 0.00 0.00 174.94 172.82 1wk4 s TYR 95 N 2.72 0.60 0.87 3.50 1.51 -0.81 -5.01 117.35 120.72 1wk4 s TYR 95 Ca -0.01 -0.86 -0.11 0.00 -1.01 0.00 0.00 57.07 55.08 1wk4 s TYR 95 Cb -0.12 -0.99 0.16 0.00 -0.11 0.00 0.00 41.96 40.90 1wk4 s TYR 95 CO -0.15 -0.72 1.20 0.08 -1.11 0.00 0.00 175.55 174.85 1wk4 s VAL 96 N 2.00 2.06 -0.04 0.71 1.01 -1.26 -2.57 120.40 122.30 1wk4 s VAL 96 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1wk4 s VAL 96 Cb -0.16 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1wk4 s VAL 96 CO -0.24 0.00 -0.07 -0.76 0.00 0.00 0.00 175.10 174.03 1wk4 s LEU 97 N -5.63 3.14 0.22 3.92 1.43 -1.13 -4.89 118.68 115.74 1wk4 s LEU 97 Ca 0.70 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.63 1wk4 s LEU 97 Cb -0.05 -1.72 0.32 0.00 0.03 0.00 0.00 46.19 44.77 1wk4 s LEU 97 CO 0.50 0.34 1.29 -2.65 0.23 0.00 0.00 176.35 176.06 1wk4 n PRO 98 N 2.01 -0.12 0.21 1.29 -0.02 -1.26 0.18 135.00 137.30 1wk4 n PRO 98 Ca -0.17 1.29 0.15 0.00 -2.02 0.00 0.00 63.50 62.75 1wk4 n PRO 98 Cb 0.53 -1.92 0.68 0.00 -0.02 0.00 0.00 33.50 32.76 1wk4 n PRO 98 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1wk4 h THR 99 N 0.00 0.00 -0.22 3.45 2.02 -1.97 -2.99 112.91 113.20 1wk4 h THR 99 Ca 0.36 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1wk4 h THR 99 Cb 0.57 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1wk4 h THR 99 CO -0.84 0.00 0.00 0.79 0.37 0.00 0.00 175.52 175.84 1wk4 n TRP 100 N -2.63 0.30 -1.92 3.16 7.02 0.46 -5.03 117.44 118.80 1wk4 n TRP 100 Ca 0.00 -0.44 -0.30 0.00 -1.02 0.00 0.00 57.50 55.74 1wk4 n TRP 100 Cb 0.20 -0.03 0.05 0.00 -2.42 0.00 0.00 31.31 29.10 1wk4 n TRP 100 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1wk4 s GLN 101 N -0.96 2.84 -1.12 -0.99 -0.21 -0.51 -4.07 119.66 114.64 1wk4 s GLN 101 Ca 0.16 0.42 -0.05 0.00 0.02 0.00 0.00 55.36 55.91 1wk4 s GLN 101 Cb 0.09 -2.04 0.01 0.00 1.00 0.00 0.00 33.01 32.06 1wk4 s GLN 101 CO 0.11 -1.03 0.62 0.54 -2.12 0.00 0.00 175.29 173.42 1wk4 n ARG 102 N -2.99 -4.57 0.00 2.91 1.74 -1.26 -4.88 116.66 107.62 1wk4 n ARG 102 Ca 0.07 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1wk4 n ARG 102 Cb 0.57 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.94 1wk4 n ARG 102 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wk4 n LYS 103 N -3.48 0.34 -1.09 5.56 4.76 -1.26 -4.99 118.16 118.00 1wk4 n LYS 103 Ca -0.05 -0.56 -0.03 0.00 -2.87 0.00 0.00 58.31 54.80 1wk4 n LYS 103 Cb 0.57 -0.74 -0.01 0.00 -1.84 0.00 0.00 35.03 33.01 1wk4 n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wk4 n GLY 104 N -0.10 0.62 0.28 0.72 0.00 -1.26 -4.94 105.19 100.51 1wk4 n GLY 104 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1wk4 n GLY 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wk4 h LEU 105 N 0.00 0.97 -0.54 0.99 6.46 -1.94 -2.08 115.31 119.17 1wk4 h LEU 105 Ca -0.07 -0.35 -0.06 0.00 -0.12 0.00 0.00 57.88 57.29 1wk4 h LEU 105 Cb 0.33 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1wk4 h LEU 105 CO 0.10 1.12 -0.29 1.23 -0.62 0.00 0.00 178.44 179.97 1wk4 h GLY 106 N 0.92 0.00 1.44 3.75 0.00 -1.93 0.72 103.07 107.97 1wk4 h GLY 106 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 1wk4 h GLY 106 CO 0.06 0.00 -0.66 -0.09 0.00 0.00 0.00 176.54 175.84 1wk4 h ARG 107 N 0.00 0.56 0.39 4.80 9.65 -1.94 0.72 114.38 128.56 1wk4 h ARG 107 Ca -0.00 -0.41 -0.02 0.00 -1.10 0.00 0.00 59.98 58.44 1wk4 h ARG 107 Cb 1.02 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1wk4 h ARG 107 CO 0.04 1.03 -0.19 0.00 2.80 0.00 0.00 179.97 183.66 1wk4 h ALA 108 N 0.86 -0.52 -0.68 2.80 0.00 -1.04 -1.88 119.26 118.80 1wk4 h ALA 108 Ca -0.02 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.90 1wk4 h ALA 108 Cb 1.24 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1wk4 h ALA 108 CO 0.12 -0.56 0.48 -0.07 0.00 0.00 0.00 179.25 179.23 1wk4 h LEU 109 N -0.98 0.07 -0.04 0.00 3.38 -0.87 -1.02 115.31 115.86 1wk4 h LEU 109 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1wk4 h LEU 109 Cb 0.53 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wk4 h LEU 109 CO 0.09 0.04 -0.03 0.15 0.09 0.00 0.00 178.44 178.77 1wk4 h PHE 110 N 0.08 0.11 -0.09 1.13 3.57 -0.62 -2.76 116.94 118.36 1wk4 h PHE 110 Ca 0.33 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.65 1wk4 h PHE 110 Cb 1.20 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1wk4 h PHE 110 CO -0.00 0.52 -0.59 0.45 -2.23 0.00 0.00 178.31 176.46 1wk4 h HIS 111 N -0.33 0.37 -0.31 0.41 3.86 -0.72 -0.64 115.15 117.81 1wk4 h HIS 111 Ca 0.01 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.02 1wk4 h HIS 111 Cb 0.50 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1wk4 h HIS 111 CO 0.08 0.81 -0.05 0.93 0.86 0.00 0.00 177.93 180.56 1wk4 h GLU 112 N 0.22 0.49 0.00 2.45 4.39 -1.25 0.18 114.58 121.05 1wk4 h GLU 112 Ca -0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1wk4 h GLU 112 Cb 1.10 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1wk4 h GLU 112 CO 0.10 0.55 -0.67 0.41 -1.16 0.00 0.00 179.01 178.24 1wk4 n GLY 113 N -0.81 -1.38 0.09 -3.84 0.00 -1.04 -3.55 105.19 94.65 1wk4 n GLY 113 Ca 0.01 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1wk4 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wk4 h ALA 114 N 2.54 0.59 0.01 4.61 0.00 -0.18 -2.60 119.26 124.23 1wk4 h ALA 114 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wk4 h ALA 114 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wk4 h ALA 114 CO 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.25 1wk4 h ARG 115 N 0.00 -0.01 0.57 0.00 3.08 -0.73 -2.94 114.38 114.35 1wk4 h ARG 115 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1wk4 h ARG 115 Cb 0.83 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.89 1wk4 h ARG 115 CO 0.00 0.82 -0.28 1.25 -1.07 0.00 0.00 179.97 180.69 1wk4 h LEU 116 N -0.90 -0.65 -0.88 3.04 5.85 -1.68 -1.47 115.31 118.62 1wk4 h LEU 116 Ca -0.00 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.91 1wk4 h LEU 116 Cb 0.83 0.17 -0.16 0.00 0.37 0.00 0.00 40.66 41.87 1wk4 h LEU 116 CO 0.00 -0.26 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.68 1wk4 h LEU 117 N -1.16 -0.61 0.00 2.25 3.38 -1.64 0.19 115.31 117.72 1wk4 h LEU 117 Ca -0.08 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wk4 h LEU 117 Cb 0.62 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1wk4 h LEU 117 CO 0.13 -0.28 0.00 1.67 0.09 0.00 0.00 178.44 180.05 1wk4 n GLN 118 N -5.49 0.00 -0.17 1.13 7.27 -1.11 -3.23 117.38 115.78 1wk4 n GLN 118 Ca 0.16 0.54 -0.05 0.00 0.07 0.00 0.00 57.00 57.73 1wk4 n GLN 118 Cb 0.54 -1.45 -0.04 0.00 2.41 0.00 0.00 30.24 31.70 1wk4 n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wk4 n ALA 119 N -2.02 -0.26 -0.24 1.69 0.00 -0.56 -0.82 120.51 118.29 1wk4 n ALA 119 Ca 0.00 0.35 0.21 0.00 0.00 0.00 0.00 53.44 54.00 1wk4 n ALA 119 Cb 0.00 0.22 0.35 0.00 0.00 0.00 0.00 19.45 20.02 1wk4 n ALA 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wk4 n GLU 120 N -3.92 -0.02 0.00 0.00 1.02 -0.04 -4.65 120.64 113.03 1wk4 n GLU 120 Ca 0.01 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1wk4 n GLU 120 Cb 0.11 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1wk4 n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wk4 n GLY 121 N -1.27 2.82 2.33 0.62 0.00 0.00 -5.11 105.19 104.58 1wk4 n GLY 121 Ca 0.21 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1wk4 n GLY 121 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wk4 n TYR 122 N 0.00 0.57 -0.01 1.61 4.01 -1.20 -4.85 117.16 117.30 1wk4 n TYR 122 Ca 0.00 0.71 -0.08 0.00 -0.16 0.00 0.00 57.90 58.37 1wk4 n TYR 122 Cb 0.00 -1.39 -0.14 0.00 -0.31 0.00 0.00 39.34 37.50 1wk4 n TYR 122 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1wk4 h GLY 123 N 2.24 0.00 -0.31 2.72 0.00 -1.87 -3.39 103.07 102.47 1wk4 h GLY 123 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1wk4 h GLY 123 CO 0.47 0.00 0.03 -0.96 0.00 0.00 0.00 176.54 176.08 1wk4 n ARG 124 N -3.09 0.26 -4.00 4.80 1.85 -1.26 -0.53 116.66 114.69 1wk4 n ARG 124 Ca -0.14 -0.64 -0.13 0.00 -1.00 0.00 0.00 57.85 55.94 1wk4 n ARG 124 Cb 1.03 0.72 -0.02 0.00 -1.05 0.00 0.00 32.46 33.14 1wk4 n ARG 124 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1wk4 s LEU 126 N 0.00 0.67 -0.10 2.89 0.05 0.23 -2.14 118.68 120.27 1wk4 s LEU 126 Ca 0.05 -1.36 -0.15 0.00 0.05 0.00 0.00 54.13 52.73 1wk4 s LEU 126 Cb -0.01 1.92 0.03 0.00 -2.05 0.00 0.00 46.19 46.09 1wk4 s LEU 126 CO 0.04 -1.42 0.38 0.54 -0.55 0.00 0.00 176.35 175.34 1wk4 s VAL 127 N -2.86 0.02 -0.20 1.48 0.11 0.11 -0.93 120.40 118.13 1wk4 s VAL 127 Ca 0.25 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1wk4 s VAL 127 Cb -0.02 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1wk4 s VAL 127 CO 0.17 -0.08 -0.03 0.26 -3.33 0.00 0.00 175.10 172.09 1wk4 s TRP 128 N -0.29 2.98 0.05 1.54 0.52 -1.26 -0.72 118.94 121.76 1wk4 s TRP 128 Ca -0.04 -0.64 0.08 0.00 0.02 0.00 0.00 56.10 55.52 1wk4 s TRP 128 Cb -0.03 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 1wk4 s TRP 128 CO 0.02 -0.33 -0.23 0.08 0.02 0.00 0.00 176.95 176.51 1wk4 s VAL 129 N 1.06 1.85 0.26 4.03 1.01 -0.24 -4.97 120.40 123.41 1wk4 s VAL 129 Ca 0.01 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 1wk4 s VAL 129 Cb -0.15 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 1wk4 s VAL 129 CO 0.01 0.24 1.02 -0.76 0.00 0.00 0.00 175.10 175.60 1wk4 s LEU 130 N -1.27 4.59 0.36 3.92 1.43 -1.26 -0.69 118.68 125.75 1wk4 s LEU 130 Ca 0.09 2.10 0.10 0.00 -1.03 0.00 0.00 54.13 55.39 1wk4 s LEU 130 Cb -0.09 -3.64 0.67 0.00 0.03 0.00 0.00 46.19 43.16 1wk4 s LEU 130 CO 0.02 0.00 1.82 0.11 0.23 0.00 0.00 176.35 178.53 1wk4 h LYS 131 N 3.94 0.11 -0.79 1.70 1.57 -1.49 -1.88 116.57 119.73 1wk4 h LYS 131 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1wk4 h LYS 131 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1wk4 h LYS 131 CO 0.67 0.43 0.00 -0.85 -0.57 0.00 0.00 179.45 179.13 1wk4 n GLU 132 N -4.12 0.90 -3.59 3.15 0.00 -1.26 -3.91 120.64 111.80 1wk4 n GLU 132 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.87 1wk4 n GLU 132 Cb 0.39 -1.40 -0.10 0.00 0.00 0.00 0.00 31.44 30.33 1wk4 n GLU 132 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1wk4 n ASN 133 N -0.01 1.48 -0.10 -1.84 5.15 -0.71 -4.96 115.26 114.26 1wk4 n ASN 133 Ca 0.00 -2.86 -0.09 0.00 -0.60 0.00 0.00 54.58 51.03 1wk4 n ASN 133 Cb 0.20 -0.66 -0.02 0.00 -0.53 0.00 0.00 39.78 38.77 1wk4 n ASN 133 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1wk4 h PRO 134 N 5.24 0.45 -0.90 1.20 0.11 -1.80 -0.92 132.00 135.37 1wk4 h PRO 134 Ca 0.19 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.35 1wk4 h PRO 134 Cb 0.82 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.77 1wk4 h PRO 134 CO 0.57 0.37 0.58 0.87 -0.21 0.00 0.00 178.00 180.18 1wk4 h LYS 135 N 0.41 0.87 0.53 1.05 1.57 -1.95 0.15 116.57 119.21 1wk4 h LYS 135 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1wk4 h LYS 135 Cb 0.05 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1wk4 h LYS 135 CO -0.02 0.58 -0.28 0.78 -0.57 0.00 0.00 179.45 179.94 1wk4 h GLY 136 N 0.90 -0.78 1.74 3.86 0.00 -1.64 -0.54 103.07 106.60 1wk4 h GLY 136 Ca 0.42 0.30 -0.05 0.00 0.00 0.00 0.00 47.33 48.00 1wk4 h GLY 136 CO -0.18 -0.29 -0.08 3.21 0.00 0.00 0.00 176.54 179.21 1wk4 h ARG 137 N -0.75 0.33 -0.01 4.80 3.08 -0.54 -2.76 114.38 118.54 1wk4 h ARG 137 Ca -0.07 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1wk4 h ARG 137 Cb 0.59 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1wk4 h ARG 137 CO 0.10 0.42 -0.00 0.78 -1.07 0.00 0.00 179.97 180.20 1wk4 h GLY 138 N 0.75 0.01 -0.07 0.04 0.00 -0.52 -2.62 103.07 100.66 1wk4 h GLY 138 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1wk4 h GLY 138 CO 0.02 0.01 -0.23 -2.75 0.00 0.00 0.00 176.54 173.58 1wk4 h PHE 139 N -0.31 -0.69 -0.60 5.60 3.57 -0.90 0.04 116.94 123.64 1wk4 h PHE 139 Ca 0.00 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.70 1wk4 h PHE 139 Cb 0.33 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1wk4 h PHE 139 CO 0.04 -0.23 0.51 1.88 -2.23 0.00 0.00 178.31 178.28 1wk4 h TYR 140 N -0.24 0.00 -0.25 0.41 0.05 -1.57 0.56 116.97 115.93 1wk4 h TYR 140 Ca 0.02 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.60 1wk4 h TYR 140 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1wk4 h TYR 140 CO -0.52 0.00 -0.61 0.93 -1.05 0.00 0.00 178.16 176.90 1wk4 h GLU 141 N 0.00 0.84 -0.84 4.88 5.08 -0.64 -0.35 114.58 123.55 1wk4 h GLU 141 Ca 0.28 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1wk4 h GLU 141 Cb 1.31 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 1wk4 h GLU 141 CO -0.00 1.20 0.46 0.45 -1.00 0.00 0.00 179.01 180.12 1wk4 h HIS 142 N 0.63 1.15 0.00 4.33 3.86 0.31 -0.85 115.15 124.58 1wk4 h HIS 142 Ca -0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1wk4 h HIS 142 Cb 1.23 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1wk4 h HIS 142 CO 0.08 0.80 0.00 -0.07 0.86 0.00 0.00 177.93 179.60 1wk4 h LEU 143 N 1.17 0.00 0.00 2.43 3.38 -1.27 -3.45 115.31 117.57 1wk4 h LEU 143 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1wk4 h LEU 143 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1wk4 h LEU 143 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1wk4 n GLY 144 N -0.84 1.34 3.78 0.83 0.00 -0.32 -5.07 105.19 104.91 1wk4 n GLY 144 Ca -0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1wk4 n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wk4 s GLY 145 N -2.26 2.76 -0.06 -0.02 0.00 -0.17 -4.87 107.32 102.70 1wk4 s GLY 145 Ca 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 44.72 45.47 1wk4 s GLY 145 CO 0.00 1.25 0.16 -1.34 0.00 0.00 0.00 173.10 173.17 1wk4 s VAL 146 N -1.60 5.45 0.11 1.40 -7.23 0.12 -4.75 120.40 113.90 1wk4 s VAL 146 Ca 0.59 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.47 1wk4 s VAL 146 Cb -0.25 -3.46 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1wk4 s VAL 146 CO 0.31 0.47 1.12 -0.22 -0.31 0.00 0.00 175.10 176.47 1wk4 s LEU 147 N -1.50 4.42 -0.06 1.32 2.96 -1.26 0.47 118.68 125.02 1wk4 s LEU 147 Ca 0.21 2.00 -0.09 0.00 -0.22 0.00 0.00 54.13 56.03 1wk4 s LEU 147 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1wk4 s LEU 147 CO 0.12 -0.33 -0.18 0.18 -1.32 0.00 0.00 176.35 174.82 1wk4 n LEU 148 N 3.21 1.42 0.00 -0.68 4.32 0.38 -4.88 117.00 120.77 1wk4 n LEU 148 Ca 0.06 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 1wk4 n LEU 148 Cb 0.47 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1wk4 n LEU 148 CO 0.54 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 1wk4 n GLY 149 N 2.39 1.38 0.54 -0.72 0.00 -1.24 -4.99 105.19 102.54 1wk4 n GLY 149 Ca -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 1wk4 n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wk4 n GLU 150 N 0.00 0.41 0.00 1.61 0.28 -1.26 -0.49 120.64 121.19 1wk4 n GLU 150 Ca 0.00 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.44 1wk4 n GLU 150 Cb 0.00 0.39 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1wk4 n GLU 150 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1wk4 n ARG 151 N -0.12 0.00 -3.90 3.44 1.85 -0.16 -4.94 116.66 112.83 1wk4 n ARG 151 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 1wk4 n ARG 151 Cb 0.10 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.46 1wk4 n ARG 151 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1wk4 s GLU 152 N -2.00 3.44 0.30 2.89 2.12 -1.26 -0.02 118.70 124.16 1wk4 s GLU 152 Ca 0.00 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.09 1wk4 s GLU 152 Cb 0.00 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1wk4 s GLU 152 CO 0.00 0.70 0.14 0.96 -0.54 0.00 0.00 175.26 176.52 1wk4 s ILE 153 N -1.25 0.42 -0.03 -3.70 -4.36 0.15 -4.94 121.20 107.50 1wk4 s ILE 153 Ca 0.24 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.70 1wk4 s ILE 153 Cb -0.12 -2.54 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1wk4 s ILE 153 CO 0.15 0.00 -0.24 -1.61 0.24 0.00 0.00 174.94 173.48 1wk4 s GLU 154 N -3.87 2.08 -0.45 0.37 0.41 -1.26 -1.76 118.70 114.23 1wk4 s GLU 154 Ca 0.36 -0.84 0.07 0.00 -0.41 0.00 0.00 54.97 54.14 1wk4 s GLU 154 Cb 0.06 -1.92 0.23 0.00 -1.78 0.00 0.00 34.13 30.72 1wk4 s GLU 154 CO 0.16 0.46 0.65 1.28 -0.49 0.00 0.00 175.26 177.32 1wk4 n LEU 155 N 2.67 -1.50 -2.81 1.80 4.77 -0.59 -4.98 117.00 116.35 1wk4 n LEU 155 Ca -0.16 -3.92 -0.05 0.00 -0.03 0.00 0.00 56.01 51.84 1wk4 n LEU 155 Cb 0.52 0.71 0.01 0.00 -2.33 0.00 0.00 43.42 42.33 1wk4 n LEU 155 CO 0.24 2.00 -0.16 0.61 -1.33 0.00 0.00 177.39 178.74 1wk4 n GLY 156 N 1.90 -2.41 2.74 -0.72 0.00 -1.26 -3.73 105.19 101.70 1wk4 n GLY 156 Ca 0.18 0.96 -0.10 0.00 0.00 0.00 0.00 46.02 47.06 1wk4 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wk4 n GLY 157 N 0.09 0.96 2.94 -0.02 0.00 -1.26 -4.59 105.19 103.31 1wk4 n GLY 157 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1wk4 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wk4 s ALA 158 N -1.90 0.40 -0.19 4.61 0.00 -1.24 -5.02 121.76 118.41 1wk4 s ALA 158 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 1wk4 s ALA 158 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1wk4 s ALA 158 CO 0.00 0.08 0.25 0.15 0.00 0.00 0.00 175.76 176.24 1wk4 s LYS 159 N -0.02 4.20 0.13 0.00 1.02 -1.26 -1.55 119.74 122.26 1wk4 s LYS 159 Ca 0.01 -0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.03 1wk4 s LYS 159 Cb -0.03 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1wk4 s LYS 159 CO -0.00 0.18 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.95 1wk4 s LEU 160 N 0.67 2.41 -0.08 3.17 2.01 -0.72 -4.97 118.68 121.18 1wk4 s LEU 160 Ca 0.13 -0.82 -0.00 0.00 0.01 0.00 0.00 54.13 53.45 1wk4 s LEU 160 Cb -0.13 -0.63 -0.03 0.00 0.01 0.00 0.00 46.19 45.41 1wk4 s LEU 160 CO 0.03 -0.11 -0.04 0.26 1.01 0.00 0.00 176.35 177.50 1wk4 s TRP 161 N -2.10 3.03 -0.11 0.29 0.52 -1.26 0.33 118.94 119.64 1wk4 s TRP 161 Ca 0.11 0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.33 1wk4 s TRP 161 Cb -0.05 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 1wk4 s TRP 161 CO 0.04 0.39 -0.14 -2.00 0.02 0.00 0.00 176.95 175.26 1wk4 s GLU 162 N -0.84 2.10 0.32 4.98 2.12 0.97 -1.09 118.70 127.26 1wk4 s GLU 162 Ca 0.13 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 55.00 1wk4 s GLU 162 Cb -0.11 -1.85 -0.02 0.00 0.26 0.00 0.00 34.13 32.42 1wk4 s GLU 162 CO 0.02 -0.11 0.47 0.14 -0.54 0.00 0.00 175.26 175.23 1wk4 s VAL 163 N 1.13 4.53 -0.20 3.70 -7.23 0.13 -0.99 120.40 121.47 1wk4 s VAL 163 Ca -0.04 -0.89 -0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1wk4 s VAL 163 Cb -0.14 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.25 1wk4 s VAL 163 CO -0.04 -0.27 -0.05 0.00 -0.31 0.00 0.00 175.10 174.44 1wk4 s ALA 164 N -2.17 1.70 -0.04 1.32 0.00 0.36 -1.08 121.76 121.86 1wk4 s ALA 164 Ca 0.41 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 1wk4 s ALA 164 Cb -0.09 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1wk4 s ALA 164 CO 0.32 -1.02 0.38 0.71 0.00 0.00 0.00 175.76 176.14 1wk4 s TYR 165 N 1.52 3.67 0.04 0.00 1.51 0.10 -0.47 117.35 123.73 1wk4 s TYR 165 Ca -0.03 0.90 0.04 0.00 -1.01 0.00 0.00 57.07 56.97 1wk4 s TYR 165 Cb -0.17 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1wk4 s TYR 165 CO -0.07 0.57 -0.04 0.20 -1.11 0.00 0.00 175.55 175.10 1wk4 s GLY 166 N -0.77 1.83 0.37 0.71 0.00 0.18 0.08 107.32 109.72 1wk4 s GLY 166 Ca 0.22 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.91 1wk4 s GLY 166 CO 0.11 -0.99 0.05 -1.36 0.00 0.00 0.00 173.10 170.92 1wk4 s PHE 167 N -1.14 2.04 -0.15 1.90 0.40 -1.26 -0.70 117.98 119.07 1wk4 s PHE 167 Ca 0.21 -0.95 -0.04 0.00 -0.60 0.00 0.00 56.93 55.55 1wk4 s PHE 167 Cb -0.11 -1.40 0.05 0.00 0.51 0.00 0.00 43.02 42.07 1wk4 s PHE 167 CO 0.12 0.07 0.07 0.34 0.70 0.00 0.00 175.22 176.52 1wk4 s ASP 168 N -3.59 2.20 0.05 1.36 2.15 -1.26 -4.64 116.67 112.95 1wk4 s ASP 168 Ca 0.31 -0.50 -0.22 0.00 0.43 0.00 0.00 52.55 52.57 1wk4 s ASP 168 Cb 0.07 -0.31 -0.14 0.00 -0.30 0.00 0.00 42.92 42.25 1wk4 s ASP 168 CO 0.15 -0.31 1.52 -0.07 -0.17 0.00 0.00 175.17 176.28 1wk4 h LEU 169 N 8.38 0.17 -9.45 -1.34 -0.00 -1.13 -3.45 115.31 108.49 1wk4 h LEU 169 Ca -0.15 -0.26 -0.54 0.00 -0.00 0.00 0.00 57.88 56.93 1wk4 h LEU 169 Cb 1.14 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.72 1wk4 h LEU 169 CO 0.27 0.39 0.26 -0.83 -0.00 0.00 0.00 178.44 178.53 1wk4 s GLY 170 N -2.85 2.84 0.00 0.83 0.00 -1.05 -4.32 107.32 102.77 1wk4 s GLY 170 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.98 1wk4 s GLY 170 CO 0.70 1.40 0.00 0.61 0.00 0.00 0.00 173.10 175.81 1wk4 n GLY 171 N 2.73 0.50 3.78 0.20 0.00 -1.26 -5.09 105.19 106.05 1wk4 n GLY 171 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1wk4 n GLY 171 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wk4 s HIS 172 N 0.00 -0.04 -0.24 1.61 -3.43 -1.26 -5.14 115.29 106.79 1wk4 s HIS 172 Ca 0.00 -0.24 -0.20 0.00 -0.80 0.00 0.00 55.06 53.82 1wk4 s HIS 172 Cb 0.00 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.76 1wk4 s HIS 172 CO 0.00 -0.70 0.60 0.21 -2.00 0.00 0.00 174.74 172.85 1wk4 s LYS 173 N -2.69 4.13 0.00 -0.38 2.20 -1.26 -5.09 119.74 116.65 1wk4 s LYS 173 Ca 0.17 0.51 0.26 0.00 -0.36 0.00 0.00 55.97 56.55 1wk4 s LYS 173 Cb -0.00 -3.63 1.57 0.00 -1.51 0.00 0.00 37.83 34.26 1wk4 s LYS 173 CO 0.02 -0.35 1.92 0.91 -0.36 0.00 0.00 175.35 177.49