#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juy n VAL 2 N 0.00 0.23 -4.01 1.69 0.31 -1.26 -4.47 118.33 110.82 3juy n VAL 2 Ca 0.00 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.11 3juy n VAL 2 Cb 0.00 -1.13 -0.14 0.00 -0.91 0.00 0.00 33.84 31.66 3juy n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3juy s GLN 3 N 4.13 0.22 -0.23 5.55 0.74 0.45 -5.00 119.66 125.52 3juy s GLN 3 Ca 1.03 -0.08 0.02 0.00 0.05 0.00 0.00 55.36 56.38 3juy s GLN 3 Cb -1.13 -0.23 0.05 0.00 1.10 0.00 0.00 33.01 32.79 3juy s GLN 3 CO 0.66 0.04 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.81 3juy s LEU 4 N 0.04 2.83 -0.22 3.68 1.43 -1.26 -1.35 118.68 123.83 3juy s LEU 4 Ca -0.00 -1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 51.93 3juy s LEU 4 Cb -0.02 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3juy s LEU 4 CO -0.00 -0.15 0.02 -0.69 0.23 0.00 0.00 176.35 175.75 3juy s VAL 5 N 1.24 3.98 0.42 -1.59 1.01 0.19 -4.23 120.40 121.42 3juy s VAL 5 Ca -0.04 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3juy s VAL 5 Cb -0.18 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3juy s VAL 5 CO -0.07 0.40 0.58 -1.10 0.00 0.00 0.00 175.10 174.91 3juy s GLN 6 N 1.30 2.89 1.18 2.72 -0.21 -1.26 0.02 119.66 126.30 3juy s GLN 6 Ca 0.04 -1.03 -0.19 0.00 0.02 0.00 0.00 55.36 54.20 3juy s GLN 6 Cb -0.15 -2.72 0.28 0.00 1.00 0.00 0.00 33.01 31.43 3juy s GLN 6 CO 0.01 -0.25 1.13 -1.54 -2.12 0.00 0.00 175.29 172.53 3juy s SER 7 N -4.30 1.13 0.55 5.90 1.04 -0.97 -4.95 113.70 112.10 3juy s SER 7 Ca 0.52 0.58 -0.07 0.00 0.48 0.00 0.00 55.95 57.46 3juy s SER 7 Cb -0.10 -0.79 -0.03 0.00 0.10 0.00 0.00 66.02 65.21 3juy s SER 7 CO 0.34 -3.99 0.88 -0.83 0.98 0.00 0.00 173.24 170.63 3juy s GLY 8 N -4.02 1.56 0.68 7.32 0.00 -1.26 -4.76 107.32 106.84 3juy s GLY 8 Ca 0.71 -0.42 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 3juy s GLY 8 CO 0.56 -0.20 1.18 0.00 0.00 0.00 0.00 173.10 174.64 3juy n ALA 9 N -2.48 0.63 -2.87 3.20 0.00 -1.26 -4.81 120.51 112.93 3juy n ALA 9 Ca 0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 3juy n ALA 9 Cb 0.55 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 3juy n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3juy s GLU 10 N -3.38 0.42 -0.18 0.00 2.02 -0.18 -4.99 118.70 112.42 3juy s GLU 10 Ca 0.79 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 55.16 3juy s GLU 10 Cb -0.37 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.61 3juy s GLU 10 CO 0.44 0.04 0.06 0.08 0.02 0.00 0.00 175.26 175.89 3juy s VAL 11 N -1.03 4.75 0.05 2.63 1.01 -1.26 -1.54 120.40 125.01 3juy s VAL 11 Ca -0.08 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3juy s VAL 11 Cb -0.08 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3juy s VAL 11 CO -0.00 0.46 -0.15 -0.54 0.00 0.00 0.00 175.10 174.87 3juy s LYS 12 N 0.36 0.98 0.11 2.72 -0.14 0.06 -4.97 119.74 118.87 3juy s LYS 12 Ca 0.03 -0.85 -0.08 0.00 -1.36 0.00 0.00 55.97 53.71 3juy s LYS 12 Cb -0.12 -1.03 -0.06 0.00 -1.68 0.00 0.00 37.83 34.94 3juy s LYS 12 CO 0.00 0.25 0.40 -1.59 -0.76 0.00 0.00 175.35 173.65 3juy s LYS 13 N -1.32 3.70 0.55 1.68 0.00 -1.26 -0.81 119.74 122.27 3juy s LYS 13 Ca 0.02 0.06 -0.21 0.00 0.00 0.00 0.00 55.97 55.84 3juy s LYS 13 Cb -0.09 -2.91 -0.05 0.00 0.00 0.00 0.00 37.83 34.78 3juy s LYS 13 CO 0.02 0.50 1.24 -2.30 0.00 0.00 0.00 175.35 174.81 3juy n PRO 14 N 0.49 1.45 0.00 1.78 -0.02 -1.26 -2.11 135.00 135.32 3juy n PRO 14 Ca -0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3juy n PRO 14 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3juy n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 15 N 0.92 2.95 3.93 -1.23 0.00 -0.77 -4.95 105.19 106.06 3juy n GLY 15 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3juy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy s ALA 16 N -2.25 2.27 0.15 4.61 0.00 -0.90 -3.69 121.76 121.95 3juy s ALA 16 Ca 0.00 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 50.79 3juy s ALA 16 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 3juy s ALA 16 CO 0.00 -2.43 -0.14 -1.54 0.00 0.00 0.00 175.76 171.66 3juy s SER 17 N -4.89 2.17 -0.05 0.00 1.04 -1.26 -0.89 113.70 109.81 3juy s SER 17 Ca 0.74 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 56.30 3juy s SER 17 Cb -0.04 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.00 3juy s SER 17 CO 0.53 -0.18 -0.16 0.54 0.98 0.00 0.00 173.24 174.95 3juy s VAL 18 N -2.58 1.39 -0.18 5.02 0.11 -0.82 -4.98 120.40 118.37 3juy s VAL 18 Ca 0.15 -0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 58.50 3juy s VAL 18 Cb -0.02 -1.21 -0.01 0.00 -1.53 0.00 0.00 36.38 33.60 3juy s VAL 18 CO 0.04 0.40 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.39 3juy s LYS 19 N 0.23 3.43 -0.09 1.54 2.20 -1.26 -1.16 119.74 124.63 3juy s LYS 19 Ca -0.08 -0.63 0.04 0.00 -0.36 0.00 0.00 55.97 54.94 3juy s LYS 19 Cb -0.13 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 3juy s LYS 19 CO 0.03 0.03 -0.20 0.08 -0.36 0.00 0.00 175.35 174.92 3juy s VAL 20 N 0.88 2.43 0.36 4.02 1.01 0.51 -4.97 120.40 124.63 3juy s VAL 20 Ca -0.02 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.13 3juy s VAL 20 Cb -0.15 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 3juy s VAL 20 CO 0.01 0.56 0.13 -0.94 0.00 0.00 0.00 175.10 174.86 3juy s SER 21 N 0.06 4.54 -0.29 3.32 1.04 -1.26 -0.65 113.70 120.47 3juy s SER 21 Ca -0.09 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.47 3juy s SER 21 Cb -0.15 -0.63 0.15 0.00 0.10 0.00 0.00 66.02 65.49 3juy s SER 21 CO 0.05 -0.35 0.39 0.00 0.98 0.00 0.00 173.24 174.31 3juy s GLN 23 N 2.51 4.10 0.05 0.00 0.74 0.10 -1.11 119.66 126.05 3juy s GLN 23 Ca 0.10 0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.56 3juy s GLN 23 Cb -0.13 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.35 3juy s GLN 23 CO -0.30 -0.12 0.25 0.00 -0.55 0.00 0.00 175.29 174.58 3juy s ALA 24 N 1.56 3.91 -0.01 1.58 0.00 -0.06 -0.64 121.76 128.11 3juy s ALA 24 Ca 0.16 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3juy s ALA 24 Cb -0.15 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.02 3juy s ALA 24 CO 0.08 0.73 0.26 -1.54 0.00 0.00 0.00 175.76 175.29 3juy s SER 25 N -2.14 -0.14 0.00 0.00 1.04 -0.45 -4.87 113.70 107.15 3juy s SER 25 Ca 0.32 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.78 3juy s SER 25 Cb -0.13 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.29 3juy s SER 25 CO 0.22 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3juy n GLY 26 N 1.42 0.60 3.61 7.32 0.00 -1.26 -0.41 105.19 116.46 3juy n GLY 26 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3juy n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3juy s TYR 27 N -2.00 0.50 -0.77 1.61 -0.85 -1.26 -4.47 117.35 110.12 3juy s TYR 27 Ca 0.00 -0.89 -0.27 0.00 -0.52 0.00 0.00 57.07 55.40 3juy s TYR 27 Cb 0.00 0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.62 3juy s TYR 27 CO 0.00 -1.15 1.33 0.50 -1.52 0.00 0.00 175.55 174.70 3juy s ARG 28 N -3.41 3.21 0.25 -3.49 3.52 -1.26 -4.88 118.95 112.88 3juy s ARG 28 Ca 0.23 -0.30 -0.14 0.00 -0.13 0.00 0.00 55.73 55.39 3juy s ARG 28 Cb -0.02 -4.32 0.32 0.00 -1.56 0.00 0.00 34.95 29.37 3juy s ARG 28 CO 0.13 -2.19 1.56 0.35 -0.81 0.00 0.00 175.30 174.34 3juy h PHE 29 N 10.21 -0.80 0.00 5.12 3.57 -1.95 -1.74 116.94 131.34 3juy h PHE 29 Ca -0.23 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3juy h PHE 29 Cb 1.05 0.49 0.00 0.00 2.79 0.00 0.00 35.95 40.28 3juy h PHE 29 CO 1.14 -0.41 0.00 -1.13 -2.23 0.00 0.00 178.31 175.69 3juy n SER 30 N -5.53 0.00 -1.14 0.41 3.41 -1.26 -2.72 113.62 106.79 3juy n SER 30 Ca 0.12 -0.71 0.09 0.00 -0.26 0.00 0.00 58.87 58.11 3juy n SER 30 Cb 0.43 -0.01 0.26 0.00 -0.26 0.00 0.00 64.21 64.64 3juy n SER 30 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3juy n HIS 31 N -1.01 0.88 -3.70 7.33 8.25 -0.66 -3.13 115.22 123.19 3juy n HIS 31 Ca 0.17 -0.41 -0.17 0.00 -0.26 0.00 0.00 57.72 57.05 3juy n HIS 31 Cb 0.08 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 3juy n HIS 31 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3juy s PHE 32 N -1.35 -0.05 0.45 4.41 0.08 -1.10 -5.06 117.98 115.36 3juy s PHE 32 Ca 0.39 0.38 -0.25 0.00 0.12 0.00 0.00 56.93 57.57 3juy s PHE 32 Cb 0.22 -0.31 -0.08 0.00 -0.57 0.00 0.00 43.02 42.27 3juy s PHE 32 CO 0.25 -0.20 1.43 0.99 -0.10 0.00 0.00 175.22 177.59 3juy s THR 33 N 1.88 2.06 -0.18 0.64 2.01 -1.26 -4.46 115.64 116.33 3juy s THR 33 Ca 0.00 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 3juy s THR 33 Cb -0.12 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.37 3juy s THR 33 CO -0.04 0.01 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.05 3juy s VAL 34 N -1.20 2.50 0.44 3.82 1.01 -0.56 -1.37 120.40 125.05 3juy s VAL 34 Ca 0.61 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 3juy s VAL 34 Cb -0.44 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 3juy s VAL 34 CO 0.56 0.51 0.85 -1.00 0.00 0.00 0.00 175.10 176.02 3juy s HIS 35 N 1.17 3.46 -0.09 5.22 3.76 0.13 -1.75 115.29 127.19 3juy s HIS 35 Ca 0.02 1.22 0.03 0.00 -0.15 0.00 0.00 55.06 56.17 3juy s HIS 35 Cb -0.14 -2.58 -0.01 0.00 1.11 0.00 0.00 32.58 30.96 3juy s HIS 35 CO -0.07 -0.20 -0.19 -1.58 -0.85 0.00 0.00 174.74 171.85 3juy s TRP 36 N -2.46 2.63 -0.00 1.40 0.52 0.47 -1.68 118.94 119.82 3juy s TRP 36 Ca 0.54 -0.70 -0.01 0.00 0.02 0.00 0.00 56.10 55.95 3juy s TRP 36 Cb -0.10 -1.71 -0.00 0.00 -1.15 0.00 0.00 33.47 30.50 3juy s TRP 36 CO 0.31 -0.21 0.02 0.08 0.02 0.00 0.00 176.95 177.16 3juy s VAL 37 N 0.06 0.03 0.06 4.03 1.01 0.51 -0.88 120.40 125.22 3juy s VAL 37 Ca -0.08 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3juy s VAL 37 Cb -0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3juy s VAL 37 CO 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 175.10 174.88 3juy s ARG 38 N -0.47 0.71 -0.28 2.72 1.70 -0.14 0.13 118.95 123.32 3juy s ARG 38 Ca -0.05 -0.85 -0.00 0.00 -0.47 0.00 0.00 55.73 54.35 3juy s ARG 38 Cb -0.03 -0.62 0.09 0.00 -0.57 0.00 0.00 34.95 33.81 3juy s ARG 38 CO -0.00 0.13 0.06 -1.14 -1.08 0.00 0.00 175.30 173.27 3juy s GLN 39 N -1.61 0.95 0.66 3.89 0.74 0.75 -0.63 119.66 124.42 3juy s GLN 39 Ca -0.05 -1.07 -0.15 0.00 0.05 0.00 0.00 55.36 54.14 3juy s GLN 39 Cb -0.10 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.75 3juy s GLN 39 CO 0.01 -0.87 1.12 0.00 -0.55 0.00 0.00 175.29 175.01 3juy s ALA 40 N 1.52 2.46 0.12 1.58 0.00 -1.26 -1.46 121.76 124.72 3juy s ALA 40 Ca 0.06 0.58 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 3juy s ALA 40 Cb -0.18 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3juy s ALA 40 CO -0.17 -1.29 1.69 -2.14 0.00 0.00 0.00 175.76 173.85 3juy s PRO 41 N -4.05 4.18 -1.13 0.00 0.02 -1.26 -2.47 135.00 130.29 3juy s PRO 41 Ca 0.68 2.45 -0.04 0.00 0.02 0.00 0.00 61.00 64.11 3juy s PRO 41 Cb -0.21 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.87 3juy s PRO 41 CO 0.41 -0.74 0.96 0.41 -0.33 0.00 0.00 177.00 177.72 3juy n GLY 42 N 4.01 -0.32 3.19 0.52 0.00 -1.26 -5.04 105.19 106.29 3juy n GLY 42 Ca 0.16 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 3juy n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juy s GLN 43 N -5.63 0.81 0.61 1.61 -1.52 -1.03 -5.15 119.66 109.36 3juy s GLN 43 Ca 0.23 -1.01 -0.18 0.00 -1.95 0.00 0.00 55.36 52.45 3juy s GLN 43 Cb -0.10 0.32 -0.03 0.00 -0.22 0.00 0.00 33.01 32.98 3juy s GLN 43 CO 0.65 -0.24 1.18 1.03 -0.25 0.00 0.00 175.29 177.66 3juy s ARG 44 N -3.88 2.92 0.42 2.91 0.52 -1.26 -4.72 118.95 115.86 3juy s ARG 44 Ca 0.06 1.73 -0.22 0.00 -0.52 0.00 0.00 55.73 56.77 3juy s ARG 44 Cb 0.05 -1.93 -0.13 0.00 0.52 0.00 0.00 34.95 33.47 3juy s ARG 44 CO -0.10 -1.23 0.56 1.19 0.02 0.00 0.00 175.30 175.74 3juy n PHE 45 N -1.78 -0.46 -3.83 -0.53 3.01 -1.26 -4.62 117.46 108.00 3juy n PHE 45 Ca 0.13 0.61 -0.23 0.00 1.01 0.00 0.00 57.45 58.96 3juy n PHE 45 Cb 0.50 -2.00 -0.17 0.00 -0.01 0.00 0.00 39.48 37.80 3juy n PHE 45 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3juy s GLU 46 N -1.58 0.74 0.13 -1.08 2.12 0.20 -4.51 118.70 114.73 3juy s GLU 46 Ca 0.63 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.70 3juy s GLU 46 Cb -0.61 -1.03 -0.07 0.00 0.26 0.00 0.00 34.13 32.69 3juy s GLU 46 CO 0.58 -0.28 1.12 -0.46 -0.54 0.00 0.00 175.26 175.68 3juy s TRP 47 N 1.83 3.56 -0.16 5.30 -0.00 -1.26 -0.96 118.94 127.24 3juy s TRP 47 Ca 0.03 1.53 0.12 0.00 -0.00 0.00 0.00 56.10 57.78 3juy s TRP 47 Cb -0.12 -3.30 -0.19 0.00 -0.00 0.00 0.00 33.47 29.86 3juy s TRP 47 CO -0.05 -0.73 0.02 -1.33 -0.00 0.00 0.00 176.95 174.86 3juy n MET 48 N 2.92 1.29 0.00 5.86 2.81 -0.06 -4.74 117.12 125.20 3juy n MET 48 Ca 0.05 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3juy n MET 48 Cb 0.47 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 3juy n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3juy n GLY 49 N 2.10 0.45 3.13 3.03 0.00 -1.19 -1.96 105.19 110.76 3juy n GLY 49 Ca -0.27 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 3juy n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3juy s TRP 50 N -1.76 0.25 -0.03 1.61 1.48 -0.60 -0.39 118.94 119.50 3juy s TRP 50 Ca 0.00 -0.63 0.03 0.00 -1.06 0.00 0.00 56.10 54.44 3juy s TRP 50 Cb 0.00 -0.17 -0.00 0.00 -1.16 0.00 0.00 33.47 32.14 3juy s TRP 50 CO 0.00 -0.41 -0.11 -1.50 -4.06 0.00 0.00 176.95 170.87 3juy s ILE 51 N -3.15 0.92 -0.47 0.66 2.07 -0.72 -1.32 121.20 119.19 3juy s ILE 51 Ca -0.00 -0.45 -0.17 0.00 -1.41 0.00 0.00 60.65 58.61 3juy s ILE 51 Cb 0.02 -0.80 0.06 0.00 0.13 0.00 0.00 42.46 41.86 3juy s ILE 51 CO -0.07 0.28 0.48 0.21 -1.91 0.00 0.00 174.94 173.93 3juy s ASN 52 N 0.07 6.18 0.00 4.50 3.84 0.13 -1.49 114.94 128.16 3juy s ASN 52 Ca -0.02 -1.03 0.16 0.00 0.21 0.00 0.00 52.86 52.19 3juy s ASN 52 Cb -0.08 -2.23 0.71 0.00 -0.55 0.00 0.00 41.25 39.10 3juy s ASN 52 CO 0.01 -0.71 1.53 -0.81 -2.79 0.00 0.00 177.10 174.32 3juy n PRO 53 N 5.63 0.01 0.01 0.43 -0.05 -1.26 -0.11 135.00 139.66 3juy n PRO 53 Ca -0.09 0.21 -0.09 0.00 -0.05 0.00 0.00 63.50 63.48 3juy n PRO 53 Cb 0.45 -1.50 0.06 0.00 -0.05 0.00 0.00 33.50 32.46 3juy n PRO 53 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 175.50 174.53 3juy h TYR 54 N 0.00 0.66 0.00 0.54 3.20 -1.89 -3.36 116.97 116.12 3juy h TYR 54 Ca 0.00 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.64 3juy h TYR 54 Cb 0.28 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3juy h TYR 54 CO 0.00 0.96 0.00 0.27 -1.64 0.00 0.00 178.16 177.75 3juy n ASN 55 N -3.95 0.52 0.00 -2.11 0.23 -1.05 -5.01 115.26 103.89 3juy n ASN 55 Ca -0.03 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 3juy n ASN 55 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 3juy n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3juy n GLY 56 N -0.08 0.38 3.75 4.83 0.00 0.85 -4.98 105.19 109.94 3juy n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3juy n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3juy s ASN 57 N -2.03 6.76 0.10 1.61 2.47 -1.23 -4.79 114.94 117.84 3juy s ASN 57 Ca 0.00 2.59 0.05 0.00 0.42 0.00 0.00 52.86 55.92 3juy s ASN 57 Cb 0.00 -2.62 -0.03 0.00 -1.45 0.00 0.00 41.25 37.14 3juy s ASN 57 CO 0.00 -0.61 -0.14 -0.54 -3.72 0.00 0.00 177.10 172.09 3juy s LYS 58 N -0.57 0.94 -0.04 0.43 1.02 -1.26 0.17 119.74 120.43 3juy s LYS 58 Ca 0.56 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 55.44 3juy s LYS 58 Cb -0.40 -0.83 0.01 0.00 -0.52 0.00 0.00 37.83 36.09 3juy s LYS 58 CO 0.43 0.17 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.96 3juy s GLU 59 N -2.38 0.98 -0.01 1.68 2.56 -0.43 -4.98 118.70 116.11 3juy s GLU 59 Ca 0.05 -0.23 0.05 0.00 0.00 0.00 0.00 54.97 54.84 3juy s GLU 59 Cb -0.06 -0.91 -0.03 0.00 2.00 0.00 0.00 34.13 35.13 3juy s GLU 59 CO 0.02 0.03 -0.17 -0.06 -0.56 0.00 0.00 175.26 174.52 3juy s PHE 60 N 0.52 2.61 0.23 5.30 0.40 -1.26 -1.56 117.98 124.22 3juy s PHE 60 Ca -0.08 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 3juy s PHE 60 Cb -0.12 -1.56 -0.09 0.00 0.51 0.00 0.00 43.02 41.76 3juy s PHE 60 CO 0.01 0.18 1.33 0.45 0.70 0.00 0.00 175.22 177.90 3juy s SER 61 N -0.97 6.84 0.46 1.36 0.15 -0.83 -4.88 113.70 115.82 3juy s SER 61 Ca 0.13 2.50 0.24 0.00 0.70 0.00 0.00 55.95 59.52 3juy s SER 61 Cb -0.10 -2.62 1.26 0.00 -1.71 0.00 0.00 66.02 62.85 3juy s SER 61 CO 0.02 -0.55 1.82 0.00 1.20 0.00 0.00 173.24 175.73 3juy h ALA 62 N 4.96 2.52 0.00 5.45 0.00 -1.95 -0.38 119.26 129.86 3juy h ALA 62 Ca -0.46 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3juy h ALA 62 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3juy h ALA 62 CO 0.75 -0.86 -0.18 -0.22 0.00 0.00 0.00 179.25 178.75 3juy h LYS 63 N 0.24 0.00 0.00 0.00 3.64 -1.94 -3.29 116.57 115.21 3juy h LYS 63 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3juy h LYS 63 Cb 1.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3juy h LYS 63 CO -0.16 0.18 -0.96 1.19 -2.27 0.00 0.00 179.45 177.44 3juy n PHE 64 N -3.51 0.00 -0.33 1.91 3.01 -0.38 -4.79 117.46 113.37 3juy n PHE 64 Ca -0.01 0.00 0.24 0.00 1.01 0.00 0.00 57.45 58.69 3juy n PHE 64 Cb 0.34 -0.09 0.46 0.00 -0.01 0.00 0.00 39.48 40.18 3juy n PHE 64 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3juy h GLN 65 N 0.00 0.03 -0.27 -1.08 -0.00 -1.21 0.20 115.11 112.79 3juy h GLN 65 Ca 0.00 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 3juy h GLN 65 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 3juy h GLN 65 CO 0.00 0.02 -0.37 0.22 0.00 0.00 0.00 178.83 178.70 3juy h ASP 66 N 0.03 0.64 -0.01 -0.69 -0.00 -1.87 -3.34 116.42 111.18 3juy h ASP 66 Ca 0.74 -0.27 0.00 0.00 -0.00 0.00 0.00 57.03 57.49 3juy h ASP 66 Cb 1.79 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.94 3juy h ASP 66 CO -0.81 0.95 -0.27 0.54 -0.00 0.00 0.00 179.24 179.64 3juy n ARG 67 N -4.05 1.64 -4.36 0.28 1.74 0.66 -5.01 116.66 107.56 3juy n ARG 67 Ca -0.01 -0.90 -0.26 0.00 -0.77 0.00 0.00 57.85 55.91 3juy n ARG 67 Cb 0.50 -1.26 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 3juy n ARG 67 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3juy s VAL 68 N -1.77 1.95 -0.04 1.55 0.11 -0.84 -1.01 120.40 120.35 3juy s VAL 68 Ca 0.14 -1.61 -0.01 0.00 -2.93 0.00 0.00 61.98 57.56 3juy s VAL 68 Cb 0.13 -1.74 0.03 0.00 -1.53 0.00 0.00 36.38 33.27 3juy s VAL 68 CO 0.36 0.03 0.07 0.28 -3.33 0.00 0.00 175.10 172.50 3juy s THR 69 N -1.09 -0.08 -0.17 5.04 -1.32 -0.67 -4.89 115.64 112.46 3juy s THR 69 Ca 0.10 0.26 -0.03 0.00 -1.21 0.00 0.00 61.69 60.80 3juy s THR 69 Cb -0.10 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.73 3juy s THR 69 CO 0.05 0.11 -0.05 -0.36 -2.21 0.00 0.00 174.62 172.16 3juy s PHE 70 N 1.37 2.98 0.33 9.09 0.40 -1.26 -1.37 117.98 129.52 3juy s PHE 70 Ca -0.06 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.81 3juy s PHE 70 Cb -0.12 -1.99 -0.06 0.00 0.51 0.00 0.00 43.02 41.35 3juy s PHE 70 CO -0.04 -0.19 0.06 0.95 0.70 0.00 0.00 175.22 176.70 3juy s THR 71 N 0.68 1.14 -0.17 0.64 -4.23 -0.88 -4.99 115.64 107.84 3juy s THR 71 Ca -0.03 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 3juy s THR 71 Cb -0.15 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 70.99 3juy s THR 71 CO 0.02 0.00 0.39 0.00 -0.54 0.00 0.00 174.62 174.49 3juy s ALA 72 N -3.31 -1.01 -0.81 3.99 0.00 -1.26 -0.94 121.76 118.42 3juy s ALA 72 Ca 0.36 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.72 3juy s ALA 72 Cb 0.08 -1.02 0.20 0.00 0.00 0.00 0.00 23.12 22.39 3juy s ALA 72 CO 0.15 -0.42 0.69 0.34 0.00 0.00 0.00 175.76 176.52 3juy s ASP 73 N 1.79 5.93 0.23 0.00 2.15 0.98 -4.95 116.67 122.81 3juy s ASP 73 Ca -0.07 -3.30 0.21 0.00 0.43 0.00 0.00 52.55 49.82 3juy s ASP 73 Cb -0.10 -1.95 0.94 0.00 -0.30 0.00 0.00 42.92 41.51 3juy s ASP 73 CO -0.12 -0.30 1.63 0.35 -0.17 0.00 0.00 175.17 176.55 3juy n THR 74 N 2.95 0.99 0.22 1.71 -2.24 -1.26 -0.76 114.28 115.89 3juy n THR 74 Ca 0.16 0.40 0.11 0.00 -2.27 0.00 0.00 64.05 62.45 3juy n THR 74 Cb 0.39 -1.34 0.39 0.00 -2.10 0.00 0.00 70.33 67.67 3juy n THR 74 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3juy h SER 75 N 0.00 0.00 -0.42 3.42 4.64 -1.94 -3.18 113.55 116.07 3juy h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3juy h SER 75 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3juy h SER 75 CO 0.00 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3juy n ALA 76 N -2.16 2.26 -3.80 5.18 0.00 0.06 -4.97 120.51 117.07 3juy n ALA 76 Ca 0.01 -1.14 -0.30 0.00 0.00 0.00 0.00 53.44 52.02 3juy n ALA 76 Cb 0.46 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.34 3juy n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3juy n ASN 77 N 0.85 -4.04 -4.02 0.00 4.13 -1.11 -4.79 115.26 106.28 3juy n ASN 77 Ca 0.15 -0.71 -0.23 0.00 1.68 0.00 0.00 54.58 55.47 3juy n ASN 77 Cb 0.47 -3.28 -0.16 0.00 -1.54 0.00 0.00 39.78 35.27 3juy n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3juy s THR 78 N -3.16 0.99 0.01 3.41 2.01 -1.16 -0.88 115.64 116.86 3juy s THR 78 Ca 0.60 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3juy s THR 78 Cb -0.31 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3juy s THR 78 CO 0.73 0.31 -0.01 0.00 -0.69 0.00 0.00 174.62 174.96 3juy s ALA 79 N 0.38 3.22 0.12 7.40 0.00 -0.27 -0.02 121.76 132.60 3juy s ALA 79 Ca -0.08 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 50.98 3juy s ALA 79 Cb -0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3juy s ALA 79 CO 0.02 0.65 -0.20 0.71 0.00 0.00 0.00 175.76 176.93 3juy s TYR 80 N -1.09 1.79 -0.02 0.00 1.51 -0.11 -0.41 117.35 119.02 3juy s TYR 80 Ca 0.20 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3juy s TYR 80 Cb -0.11 -0.95 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 3juy s TYR 80 CO 0.11 0.25 0.02 1.41 -1.11 0.00 0.00 175.55 176.23 3juy s MET 81 N -2.23 0.06 -0.03 -0.62 1.75 0.18 -2.07 119.30 116.34 3juy s MET 81 Ca 0.10 0.17 0.03 0.00 -1.25 0.00 0.00 55.69 54.73 3juy s MET 81 Cb -0.08 -0.34 0.00 0.00 2.84 0.00 0.00 34.83 37.25 3juy s MET 81 CO 0.05 -0.17 -0.11 -2.00 -0.65 0.00 0.00 175.02 172.14 3juy s GLU 82 N 1.14 1.16 -0.16 4.11 2.12 -0.47 -0.36 118.70 126.24 3juy s GLU 82 Ca -0.08 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.88 3juy s GLU 82 Cb -0.13 -1.06 0.03 0.00 0.26 0.00 0.00 34.13 33.23 3juy s GLU 82 CO -0.03 0.14 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.55 3juy s LEU 83 N 0.18 1.81 0.62 2.70 2.96 -0.31 -1.66 118.68 124.98 3juy s LEU 83 Ca -0.04 -0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 3juy s LEU 83 Cb -0.10 -1.12 0.05 0.00 0.50 0.00 0.00 46.19 45.53 3juy s LEU 83 CO 0.01 -0.11 0.88 0.00 -1.32 0.00 0.00 176.35 175.80 3juy s ARG 84 N 1.51 2.31 -1.33 1.98 1.70 -0.18 -1.94 118.95 123.00 3juy s ARG 84 Ca 0.02 -0.67 -0.00 0.00 -0.47 0.00 0.00 55.73 54.61 3juy s ARG 84 Cb -0.14 -2.37 -0.00 0.00 -0.57 0.00 0.00 34.95 31.87 3juy s ARG 84 CO -0.09 -0.97 0.61 0.43 -1.08 0.00 0.00 175.30 174.20 3juy n SER 85 N -2.58 -0.98 -4.65 -2.89 7.64 -0.89 -4.89 113.62 104.38 3juy n SER 85 Ca 0.09 -0.88 -0.38 0.00 1.01 0.00 0.00 58.87 58.71 3juy n SER 85 Cb 0.60 -3.75 0.05 0.00 -1.01 0.00 0.00 64.21 60.10 3juy n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3juy n LEU 86 N -4.30 4.19 -3.76 -3.43 4.77 -0.07 -4.67 117.00 109.72 3juy n LEU 86 Ca -0.30 0.87 -0.11 0.00 -0.03 0.00 0.00 56.01 56.43 3juy n LEU 86 Cb 0.68 -1.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.26 3juy n LEU 86 CO 0.70 -1.47 0.01 0.00 -1.33 0.00 0.00 177.39 175.31 3juy s ARG 87 N -2.76 0.80 0.30 3.23 1.70 -1.26 -1.84 118.95 119.12 3juy s ARG 87 Ca 0.74 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 3juy s ARG 87 Cb -0.43 0.35 0.69 0.00 -0.57 0.00 0.00 34.95 34.99 3juy s ARG 87 CO 0.48 -0.26 1.58 0.77 -1.08 0.00 0.00 175.30 176.80 3juy h SER 88 N 3.22 -0.46 0.00 -2.89 0.02 -1.84 0.81 113.55 112.41 3juy h SER 88 Ca -0.32 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3juy h SER 88 Cb 1.20 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.20 3juy h SER 88 CO 0.46 -0.32 0.10 0.00 -1.14 0.00 0.00 176.83 175.93 3juy n ALA 89 N -3.11 0.86 1.90 3.77 0.00 -1.26 -0.88 120.51 121.79 3juy n ALA 89 Ca 0.21 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.83 3juy n ALA 89 Cb 0.70 -0.99 0.44 0.00 0.00 0.00 0.00 19.45 19.61 3juy n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3juy n ASP 90 N -1.83 0.21 -4.66 0.00 8.00 0.28 -4.80 116.55 113.75 3juy n ASP 90 Ca -0.01 -1.55 -0.43 0.00 0.71 0.00 0.00 54.79 53.52 3juy n ASP 90 Cb 0.11 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3juy n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3juy s THR 91 N -1.97 4.70 -0.08 -3.53 2.01 -0.05 -4.78 115.64 111.93 3juy s THR 91 Ca 0.24 2.00 -0.32 0.00 0.31 0.00 0.00 61.69 63.92 3juy s THR 91 Cb 0.11 -4.30 0.12 0.00 0.01 0.00 0.00 72.50 68.45 3juy s THR 91 CO 0.19 -0.16 1.21 0.00 -0.69 0.00 0.00 174.62 175.16 3juy s ALA 92 N 3.10 -2.10 -0.10 7.40 0.00 -1.03 -4.14 121.76 124.89 3juy s ALA 92 Ca 0.44 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 3juy s ALA 92 Cb -0.15 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 3juy s ALA 92 CO 0.07 -0.83 0.61 0.08 0.00 0.00 0.00 175.76 175.69 3juy s VAL 93 N -2.52 5.10 -0.24 0.00 1.01 -0.53 -2.22 120.40 121.00 3juy s VAL 93 Ca 0.11 1.22 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 3juy s VAL 93 Cb 0.01 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3juy s VAL 93 CO -0.04 0.26 0.07 -0.31 0.00 0.00 0.00 175.10 175.08 3juy s TYR 94 N 0.86 3.10 -0.01 5.22 1.51 0.20 -0.17 117.35 128.05 3juy s TYR 94 Ca 0.32 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 56.07 3juy s TYR 94 Cb -0.16 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3juy s TYR 94 CO 0.14 -0.29 -0.12 0.71 -1.11 0.00 0.00 175.55 174.89 3juy s TYR 95 N 1.43 2.75 0.19 2.71 2.02 0.34 -0.70 117.35 126.10 3juy s TYR 95 Ca 0.05 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.68 3juy s TYR 95 Cb -0.15 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 3juy s TYR 95 CO 0.04 0.28 0.23 0.00 -1.57 0.00 0.00 175.55 174.52 3juy s ALA 97 N -1.87 -1.55 0.18 0.00 0.00 -0.68 -0.94 121.76 116.91 3juy s ALA 97 Ca 0.33 1.98 -0.28 0.00 0.00 0.00 0.00 51.96 53.99 3juy s ALA 97 Cb -0.10 -1.17 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 3juy s ALA 97 CO 0.26 -0.32 0.86 0.50 0.00 0.00 0.00 175.76 177.06 3juy s ARG 98 N 1.21 4.70 1.17 0.00 3.52 0.35 0.19 118.95 130.09 3juy s ARG 98 Ca -0.07 1.32 -0.15 0.00 -0.13 0.00 0.00 55.73 56.70 3juy s ARG 98 Cb -0.06 -3.29 0.28 0.00 -1.56 0.00 0.00 34.95 30.32 3juy s ARG 98 CO -0.12 0.49 1.04 0.14 -0.81 0.00 0.00 175.30 176.04 3juy s VAL 99 N -0.96 1.85 0.70 7.11 -7.23 -0.47 -0.85 120.40 120.55 3juy s VAL 99 Ca 0.39 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.53 3juy s VAL 99 Cb -0.24 -2.23 0.10 0.00 0.56 0.00 0.00 36.38 34.57 3juy s VAL 99 CO 0.29 0.00 0.98 -0.83 -0.31 0.00 0.00 175.10 175.23 3juy s GLY 100 N -3.01 1.76 0.50 2.32 0.00 -0.43 -4.54 107.32 103.93 3juy s GLY 100 Ca 0.68 -1.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 3juy s GLY 100 CO 0.61 -0.94 1.22 -0.54 0.00 0.00 0.00 173.10 173.45 3juy s GLU 101 N -5.15 3.49 0.01 2.90 2.02 -1.26 -4.90 118.70 115.80 3juy s GLU 101 Ca 0.64 1.91 -0.30 0.00 0.02 0.00 0.00 54.97 57.23 3juy s GLU 101 Cb -0.07 -2.30 -0.06 0.00 0.10 0.00 0.00 34.13 31.80 3juy s GLU 101 CO 0.44 -0.81 1.44 -0.46 0.02 0.00 0.00 175.26 175.89 3juy s TRP 102 N -1.49 2.78 0.42 1.61 -0.00 -1.26 -4.86 118.94 116.15 3juy s TRP 102 Ca 0.68 0.74 -0.11 0.00 -0.00 0.00 0.00 56.10 57.41 3juy s TRP 102 Cb -0.32 -3.71 -0.06 0.00 -0.00 0.00 0.00 33.47 29.38 3juy s TRP 102 CO 0.38 -2.66 0.80 0.20 -0.00 0.00 0.00 176.95 175.67 3juy s GLY 103 N 1.97 1.94 0.51 5.86 0.00 -1.26 -4.99 107.32 111.35 3juy s GLY 103 Ca 0.65 -0.16 0.27 0.00 0.00 0.00 0.00 44.72 45.48 3juy s GLY 103 CO 0.27 0.04 2.04 1.49 0.00 0.00 0.00 173.10 176.94 3juy h TRP 104 N 1.16 0.00 0.00 1.90 6.55 -2.03 -2.82 115.95 120.71 3juy h TRP 104 Ca -0.47 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.37 3juy h TRP 104 Cb 1.19 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.48 3juy h TRP 104 CO 0.61 0.13 -0.13 -0.40 -1.05 0.00 0.00 178.44 177.60 3juy n ASP 105 N -3.60 2.02 -4.79 -3.49 3.85 -1.26 -5.07 116.55 104.22 3juy n ASP 105 Ca -0.02 -3.07 -0.35 0.00 -0.71 0.00 0.00 54.79 50.65 3juy n ASP 105 Cb 0.26 -0.42 -0.03 0.00 -1.35 0.00 0.00 41.12 39.58 3juy n ASP 105 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 3juy s ASP 106 N -2.73 6.34 0.62 -1.12 1.11 -1.07 -5.08 116.67 114.75 3juy s ASP 106 Ca 0.30 2.01 0.06 0.00 0.18 0.00 0.00 52.55 55.10 3juy s ASP 106 Cb 0.27 -2.57 0.10 0.00 1.07 0.00 0.00 42.92 41.78 3juy s ASP 106 CO 0.01 -0.78 0.86 -0.44 1.18 0.00 0.00 175.17 176.00 3juy s SER 107 N -1.82 4.85 0.09 0.27 0.01 -1.26 -5.00 113.70 110.83 3juy s SER 107 Ca 0.66 -0.68 -0.33 0.00 1.31 0.00 0.00 55.95 56.91 3juy s SER 107 Cb -0.19 0.18 -0.12 0.00 0.21 0.00 0.00 66.02 66.10 3juy s SER 107 CO 0.23 -1.51 1.75 -2.65 0.41 0.00 0.00 173.24 171.48 3juy n PRO 108 N -2.44 2.42 -0.98 12.44 -0.02 -1.26 -2.35 135.00 142.81 3juy n PRO 108 Ca 0.15 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3juy n PRO 108 Cb 0.61 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3juy n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3juy n TYR 109 N 5.05 0.00 0.18 6.00 4.01 -1.26 -4.90 117.16 126.24 3juy n TYR 109 Ca 0.19 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.04 3juy n TYR 109 Cb 0.32 -0.09 0.61 0.00 -0.31 0.00 0.00 39.34 39.88 3juy n TYR 109 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3juy h ASP 110 N 0.00 0.00 -0.38 7.72 3.45 -1.86 -0.96 116.42 124.40 3juy h ASP 110 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3juy h ASP 110 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3juy h ASP 110 CO 0.00 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.21 3juy n ASN 111 N -2.30 3.36 -1.24 6.45 6.94 -1.26 -4.63 115.26 122.58 3juy n ASN 111 Ca -0.01 -2.25 -0.04 0.00 -0.02 0.00 0.00 54.58 52.25 3juy n ASN 111 Cb 0.06 -0.34 0.08 0.00 -2.36 0.00 0.00 39.78 37.22 3juy n ASN 111 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3juy n TYR 112 N 0.43 0.86 -1.80 -2.53 4.02 -0.36 -1.31 117.16 116.46 3juy n TYR 112 Ca 0.16 -0.71 -0.30 0.00 -0.01 0.00 0.00 57.90 57.05 3juy n TYR 112 Cb 0.58 -0.39 0.17 0.00 -0.02 0.00 0.00 39.34 39.68 3juy n TYR 112 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 3juy s TYR 113 N -1.18 1.77 -0.91 -0.72 1.13 -1.26 -4.74 117.35 111.44 3juy s TYR 113 Ca 0.17 0.45 -0.16 0.00 -1.41 0.00 0.00 57.07 56.13 3juy s TYR 113 Cb 0.14 -3.88 0.18 0.00 -1.10 0.00 0.00 41.96 37.30 3juy s TYR 113 CO 0.04 -2.62 0.99 -1.64 -2.51 0.00 0.00 175.55 169.81 3juy s MET 114 N -5.74 3.65 0.01 -3.49 -1.94 -1.26 -3.96 119.30 106.57 3juy s MET 114 Ca 0.71 -2.15 -0.24 0.00 -1.71 0.00 0.00 55.69 52.30 3juy s MET 114 Cb -0.07 -4.71 -0.18 0.00 2.01 0.00 0.00 34.83 31.89 3juy s MET 114 CO 0.53 -1.55 1.32 0.22 -0.01 0.00 0.00 175.02 175.53 3juy h ASP 115 N 8.23 0.12 -3.33 3.03 3.58 -1.23 -3.42 116.42 123.41 3juy h ASP 115 Ca 0.15 -0.45 -0.55 0.00 0.42 0.00 0.00 57.03 56.59 3juy h ASP 115 Cb 1.02 -0.03 -0.34 0.00 1.72 0.00 0.00 39.33 41.69 3juy h ASP 115 CO 0.96 0.55 -0.82 -0.69 -2.88 0.00 0.00 179.24 176.35 3juy s VAL 116 N -4.40 1.29 0.03 2.25 1.01 -1.14 -4.42 120.40 115.00 3juy s VAL 116 Ca -0.15 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3juy s VAL 116 Cb 0.03 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3juy s VAL 116 CO 0.70 0.40 -0.01 0.26 0.00 0.00 0.00 175.10 176.44 3juy s TRP 117 N 0.91 3.02 0.77 5.22 0.52 -1.26 -0.49 118.94 127.62 3juy s TRP 117 Ca -0.09 0.03 -0.12 0.00 0.02 0.00 0.00 56.10 55.94 3juy s TRP 117 Cb -0.15 -1.62 0.05 0.00 -1.15 0.00 0.00 33.47 30.60 3juy s TRP 117 CO 0.00 0.45 1.11 0.20 0.02 0.00 0.00 176.95 178.74 3juy s GLY 118 N -1.74 1.62 0.00 0.98 0.00 -0.11 -4.62 107.32 103.44 3juy s GLY 118 Ca 0.21 -0.35 0.20 0.00 0.00 0.00 0.00 44.72 44.78 3juy s GLY 118 CO 0.12 0.07 1.63 0.28 0.00 0.00 0.00 173.10 175.20 3juy n LYS 119 N -3.25 0.43 0.00 2.90 5.02 -1.26 -4.50 118.16 117.50 3juy n LYS 119 Ca 0.07 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3juy n LYS 119 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3juy n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3juy n GLY 120 N 0.38 -2.74 3.07 0.72 0.00 -1.26 -4.69 105.19 100.66 3juy n GLY 120 Ca 0.12 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 3juy n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3juy s THR 121 N -3.86 1.45 -0.11 2.61 -4.23 0.13 -4.86 115.64 106.78 3juy s THR 121 Ca 0.00 -0.64 -0.26 0.00 -1.18 0.00 0.00 61.69 59.61 3juy s THR 121 Cb 0.00 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 3juy s THR 121 CO 0.00 0.43 0.85 -0.89 -0.54 0.00 0.00 174.62 174.47 3juy s THR 122 N 0.82 4.90 -0.23 3.99 2.01 -1.26 -0.62 115.64 125.24 3juy s THR 122 Ca -0.10 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.63 3juy s THR 122 Cb -0.16 -4.17 0.05 0.00 0.01 0.00 0.00 72.50 68.24 3juy s THR 122 CO 0.01 0.10 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.22 3juy s VAL 123 N 1.63 2.03 -0.36 3.82 1.01 -0.94 -1.01 120.40 126.59 3juy s VAL 123 Ca 0.42 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 3juy s VAL 123 Cb -0.18 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3juy s VAL 123 CO 0.17 0.13 0.21 -0.63 0.00 0.00 0.00 175.10 174.99 3juy s ILE 124 N 1.21 4.84 -0.12 2.22 -1.09 -0.59 -2.48 121.20 125.19 3juy s ILE 124 Ca -0.04 -0.57 -0.19 0.00 -2.23 0.00 0.00 60.65 57.62 3juy s ILE 124 Cb -0.18 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3juy s ILE 124 CO -0.07 -0.12 0.50 -0.69 -1.23 0.00 0.00 174.94 173.32 3juy s VAL 125 N 1.63 5.17 -0.00 2.92 1.01 -1.26 -0.76 120.40 129.11 3juy s VAL 125 Ca 0.04 0.99 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 3juy s VAL 125 Cb -0.18 -3.83 -0.19 0.00 0.00 0.00 0.00 36.38 32.17 3juy s VAL 125 CO 0.08 0.31 1.34 0.28 0.00 0.00 0.00 175.10 177.10 3juy h SER 126 N 6.79 0.01 0.00 3.32 0.02 -1.31 -3.43 113.55 118.95 3juy h SER 126 Ca -0.40 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3juy h SER 126 Cb 1.18 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3juy h SER 126 CO 0.75 0.43 0.00 -1.54 -1.14 0.00 0.00 176.83 175.33 3juy n SER 127 N -4.88 0.00 0.00 3.07 3.41 -1.26 -5.00 113.62 108.95 3juy n SER 127 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3juy n SER 127 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3juy n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3juy n GLY 128 N 0.00 0.00 3.75 5.00 0.00 -1.26 -3.73 105.19 108.94 3juy n GLY 128 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3juy n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3juy s GLY 129 N -1.21 2.46 -0.14 -0.02 0.00 -1.26 -4.81 107.32 102.34 3juy s GLY 129 Ca 0.00 1.27 -0.10 0.00 0.00 0.00 0.00 44.72 45.88 3juy s GLY 129 CO 0.00 2.18 0.07 -1.33 0.00 0.00 0.00 173.10 174.02 3juy h GLY 130 N 4.86 0.00 0.00 0.20 0.00 -1.94 -3.43 103.07 102.76 3juy h GLY 130 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3juy h GLY 130 CO 0.76 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.91 3juy n GLY 131 N 1.65 2.65 2.18 4.60 0.00 -1.26 -5.08 105.19 109.93 3juy n GLY 131 Ca -0.09 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3juy n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3juy n SER 142 N 0.00 -0.24 -4.43 1.61 7.64 -1.26 -5.11 113.62 111.84 3juy n SER 142 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 3juy n SER 142 Cb 0.00 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 62.60 3juy n SER 142 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3juy s GLU 143 N -0.15 3.61 0.11 1.43 2.12 -1.26 -5.09 118.70 119.48 3juy s GLU 143 Ca 0.00 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 3juy s GLU 143 Cb 0.00 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 31.07 3juy s GLU 143 CO 0.00 -0.18 1.02 0.42 -0.54 0.00 0.00 175.26 175.98 3juy s ILE 144 N 1.56 4.34 -0.22 -3.70 1.01 -1.26 -4.98 121.20 117.94 3juy s ILE 144 Ca 0.06 1.90 0.02 0.00 0.00 0.00 0.00 60.65 62.63 3juy s ILE 144 Cb -0.15 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.15 3juy s ILE 144 CO 0.02 0.27 -0.11 -0.69 0.00 0.00 0.00 174.94 174.43 3juy s VAL 145 N 0.15 1.88 0.37 2.92 1.01 -1.26 -4.97 120.40 120.50 3juy s VAL 145 Ca 0.49 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 3juy s VAL 145 Cb -0.25 -1.96 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 3juy s VAL 145 CO 0.31 0.11 0.98 -0.76 0.00 0.00 0.00 175.10 175.73 3juy s LEU 146 N 1.27 4.19 -0.03 3.92 1.43 -1.26 -2.53 118.68 125.68 3juy s LEU 146 Ca -0.04 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3juy s LEU 146 Cb -0.18 -4.18 0.03 0.00 0.03 0.00 0.00 46.19 41.89 3juy s LEU 146 CO -0.07 -0.26 -0.00 -0.89 0.23 0.00 0.00 176.35 175.36 3juy s THR 147 N -1.75 0.17 0.22 5.49 2.01 -0.23 -4.54 115.64 117.02 3juy s THR 147 Ca 0.55 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.72 3juy s THR 147 Cb -0.18 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 3juy s THR 147 CO 0.23 0.14 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.16 3juy s GLN 148 N 0.97 2.23 -0.23 4.92 -0.21 -1.26 0.19 119.66 126.27 3juy s GLN 148 Ca -0.10 -1.32 -0.27 0.00 0.02 0.00 0.00 55.36 53.70 3juy s GLN 148 Cb -0.13 -2.19 0.11 0.00 1.00 0.00 0.00 33.01 31.79 3juy s GLN 148 CO -0.02 0.40 0.92 0.00 -2.12 0.00 0.00 175.29 174.48 3juy s ALA 149 N -2.02 -1.90 0.57 6.09 0.00 -0.91 -4.57 121.76 119.03 3juy s ALA 149 Ca 0.29 1.78 -0.10 0.00 0.00 0.00 0.00 51.96 53.93 3juy s ALA 149 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3juy s ALA 149 CO 0.18 -0.29 0.97 -2.14 0.00 0.00 0.00 175.76 174.48 3juy s PRO 150 N -0.18 3.62 0.29 0.00 0.02 -1.26 -1.16 135.00 136.33 3juy s PRO 150 Ca -0.00 0.64 0.01 0.00 0.02 0.00 0.00 61.00 61.67 3juy s PRO 150 Cb -0.03 -2.16 0.53 0.00 0.02 0.00 0.00 34.50 32.86 3juy s PRO 150 CO -0.01 -0.45 1.87 0.78 -0.33 0.00 0.00 177.00 178.86 3juy h GLY 151 N -0.04 1.50 -5.12 0.52 0.00 -1.86 -3.41 103.07 94.65 3juy h GLY 151 Ca -0.45 -0.43 -0.28 0.00 0.00 0.00 0.00 47.33 46.17 3juy h GLY 151 CO 0.62 0.24 -0.74 -1.59 0.00 0.00 0.00 176.54 175.07 3juy s THR 152 N -5.94 0.39 -0.26 4.70 2.01 -1.26 -1.07 115.64 114.21 3juy s THR 152 Ca -0.12 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 3juy s THR 152 Cb 0.21 -0.41 0.08 0.00 0.01 0.00 0.00 72.50 72.40 3juy s THR 152 CO 0.81 -0.14 0.08 -0.22 -0.69 0.00 0.00 174.62 174.46 3juy s LEU 153 N -0.78 1.37 -0.24 4.42 2.96 0.87 -4.94 118.68 122.34 3juy s LEU 153 Ca -0.04 -1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 52.50 3juy s LEU 153 Cb -0.06 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 3juy s LEU 153 CO -0.00 -0.38 0.35 -0.55 -1.32 0.00 0.00 176.35 174.44 3juy s SER 154 N 1.84 6.29 0.22 3.68 0.15 -1.26 -1.99 113.70 122.63 3juy s SER 154 Ca 0.05 0.33 -0.08 0.00 0.70 0.00 0.00 55.95 56.96 3juy s SER 154 Cb -0.17 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 3juy s SER 154 CO -0.21 -0.11 0.32 -0.76 1.20 0.00 0.00 173.24 173.68 3juy s LEU 155 N 1.65 0.74 -0.05 3.45 1.43 -1.05 -4.90 118.68 119.94 3juy s LEU 155 Ca 0.15 -1.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 3juy s LEU 155 Cb -0.15 1.16 -0.03 0.00 0.03 0.00 0.00 46.19 47.20 3juy s LEU 155 CO 0.08 -0.99 -0.14 -0.44 0.23 0.00 0.00 176.35 175.09 3juy s SER 156 N -3.06 4.02 -0.47 2.29 0.01 -1.26 -1.35 113.70 113.87 3juy s SER 156 Ca 0.28 -0.20 -0.39 0.00 1.31 0.00 0.00 55.95 56.95 3juy s SER 156 Cb 0.03 -0.88 -0.16 0.00 0.21 0.00 0.00 66.02 65.22 3juy s SER 156 CO 0.09 0.34 2.21 -2.65 0.41 0.00 0.00 173.24 173.64 3juy n PRO 157 N 2.37 0.50 0.00 12.44 -0.02 -1.26 -1.54 135.00 147.49 3juy n PRO 157 Ca -0.17 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3juy n PRO 157 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3juy n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 158 N 6.97 4.42 0.31 -1.23 0.00 -0.95 -4.91 105.19 109.81 3juy n GLY 158 Ca 0.49 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 3juy n GLY 158 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3juy n GLU 159 N 0.00 -2.07 -4.84 1.61 1.02 -0.59 -3.67 120.64 112.11 3juy n GLU 159 Ca 0.00 -0.15 -0.33 0.00 -0.02 0.00 0.00 57.16 56.67 3juy n GLU 159 Cb 0.00 -0.18 -0.15 0.00 -0.02 0.00 0.00 31.44 31.10 3juy n GLU 159 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3juy s ARG 160 N -3.21 3.27 -0.17 3.49 3.52 -1.25 -2.01 118.95 122.58 3juy s ARG 160 Ca 0.07 -0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 54.92 3juy s ARG 160 Cb -0.01 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 3juy s ARG 160 CO 0.05 0.25 -0.02 0.00 -0.81 0.00 0.00 175.30 174.77 3juy s ALA 161 N 0.25 3.00 -0.13 6.12 0.00 -0.63 -4.99 121.76 125.39 3juy s ALA 161 Ca -0.10 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3juy s ALA 161 Cb -0.16 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.34 3juy s ALA 161 CO 0.06 0.05 -0.15 0.99 0.00 0.00 0.00 175.76 176.71 3juy s THR 162 N 0.65 1.52 -0.08 0.00 2.01 -1.26 -0.85 115.64 117.63 3juy s THR 162 Ca -0.02 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.37 3juy s THR 162 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3juy s THR 162 CO 0.02 0.45 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 3juy s PHE 163 N 1.21 2.86 0.10 4.92 0.08 0.00 -4.75 117.98 122.40 3juy s PHE 163 Ca -0.01 -0.13 0.10 0.00 0.12 0.00 0.00 56.93 57.00 3juy s PHE 163 Cb -0.14 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3juy s PHE 163 CO -0.06 0.20 -0.25 -1.12 -0.10 0.00 0.00 175.22 173.89 3juy s SER 164 N -0.57 3.39 -0.11 1.36 0.01 -0.31 -1.64 113.70 115.82 3juy s SER 164 Ca 0.08 -0.65 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 3juy s SER 164 Cb -0.12 -0.31 0.04 0.00 0.21 0.00 0.00 66.02 65.84 3juy s SER 164 CO 0.02 0.21 0.04 0.00 0.41 0.00 0.00 173.24 173.92 3juy s ARG 166 N 2.03 3.74 0.11 0.00 0.52 0.13 -1.54 118.95 123.94 3juy s ARG 166 Ca 0.03 -0.46 -0.15 0.00 -0.52 0.00 0.00 55.73 54.63 3juy s ARG 166 Cb -0.14 -3.61 -0.07 0.00 0.52 0.00 0.00 34.95 31.65 3juy s ARG 166 CO -0.06 -0.26 0.53 0.45 0.02 0.00 0.00 175.30 175.99 3juy s SER 167 N 1.71 6.87 0.00 0.23 0.15 0.93 -1.06 113.70 122.52 3juy s SER 167 Ca 0.06 1.10 0.27 0.00 0.70 0.00 0.00 55.95 58.09 3juy s SER 167 Cb -0.16 -2.30 1.38 0.00 -1.71 0.00 0.00 66.02 63.23 3juy s SER 167 CO 0.09 0.17 1.94 -1.54 1.20 0.00 0.00 173.24 175.10 3juy n SER 168 N 1.11 0.00 -4.06 5.45 3.41 -1.05 -4.79 113.62 113.69 3juy n SER 168 Ca -0.07 -0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.35 3juy n SER 168 Cb 0.52 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 3juy n SER 168 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3juy s HIS 169 N -2.58 0.62 0.11 7.33 3.76 -1.26 -4.94 115.29 118.32 3juy s HIS 169 Ca 0.26 -1.01 -0.30 0.00 -0.15 0.00 0.00 55.06 53.85 3juy s HIS 169 Cb 0.18 -0.30 -0.06 0.00 1.11 0.00 0.00 32.58 33.51 3juy s HIS 169 CO 0.42 -0.57 1.12 -1.12 -0.85 0.00 0.00 174.74 173.74 3juy s SER 170 N -2.99 7.21 -1.10 1.40 0.01 -1.26 -4.55 113.70 112.42 3juy s SER 170 Ca 0.18 2.00 -0.08 0.00 1.31 0.00 0.00 55.95 59.37 3juy s SER 170 Cb 0.06 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.98 3juy s SER 170 CO -0.01 -0.32 1.18 -0.38 0.41 0.00 0.00 173.24 174.11 3juy n ILE 171 N 3.19 4.66 0.38 1.44 2.08 -0.10 -4.84 119.36 126.17 3juy n ILE 171 Ca 0.06 -5.49 0.11 0.00 0.56 0.00 0.00 62.75 57.98 3juy n ILE 171 Cb 0.47 -2.47 0.46 0.00 -0.75 0.00 0.00 39.64 37.35 3juy n ILE 171 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 3juy n ARG 172 N 2.36 0.15 0.15 0.38 1.85 -1.26 -2.18 116.66 118.11 3juy n ARG 172 Ca 0.24 0.42 0.13 0.00 -1.00 0.00 0.00 57.85 57.64 3juy n ARG 172 Cb 0.38 -1.81 0.34 0.00 -1.05 0.00 0.00 32.46 30.31 3juy n ARG 172 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3juy h SER 173 N 0.00 0.00 -1.40 2.89 4.64 -1.99 -3.47 113.55 114.22 3juy h SER 173 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3juy h SER 173 Cb 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.29 3juy h SER 173 CO 0.00 0.00 -0.37 0.54 -0.87 0.00 0.00 176.83 176.13 3juy n ARG 174 N -2.58 -1.29 -2.23 4.77 1.74 -0.93 -4.90 116.66 111.23 3juy n ARG 174 Ca 0.05 1.04 -0.42 0.00 -0.77 0.00 0.00 57.85 57.74 3juy n ARG 174 Cb 0.45 -5.37 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 3juy n ARG 174 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3juy n ARG 175 N -2.56 3.65 -5.29 5.56 1.74 -1.26 -3.11 116.66 115.39 3juy n ARG 175 Ca -0.19 -3.42 -0.31 0.00 -0.77 0.00 0.00 57.85 53.16 3juy n ARG 175 Cb 0.61 -2.92 -0.16 0.00 -1.02 0.00 0.00 32.46 28.96 3juy n ARG 175 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3juy s VAL 176 N 0.49 2.07 0.04 1.55 1.01 -1.26 -2.08 120.40 122.22 3juy s VAL 176 Ca 0.42 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3juy s VAL 176 Cb 0.11 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3juy s VAL 176 CO -0.01 0.57 0.04 0.00 0.00 0.00 0.00 175.10 175.70 3juy s ALA 177 N -0.62 0.14 -0.01 5.51 0.00 0.09 -0.35 121.76 126.52 3juy s ALA 177 Ca 0.10 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.36 3juy s ALA 177 Cb -0.10 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3juy s ALA 177 CO -0.01 -0.32 -0.22 -1.58 0.00 0.00 0.00 175.76 173.63 3juy s TRP 178 N -2.89 1.96 0.03 0.00 0.52 0.40 -0.58 118.94 118.38 3juy s TRP 178 Ca -0.03 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.78 3juy s TRP 178 Cb 0.01 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 31.05 3juy s TRP 178 CO -0.06 -0.02 -0.18 0.71 0.02 0.00 0.00 176.95 177.42 3juy s TYR 179 N -0.55 1.61 -0.10 -1.98 1.51 -0.14 -0.45 117.35 117.25 3juy s TYR 179 Ca 0.08 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 3juy s TYR 179 Cb -0.09 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.76 3juy s TYR 179 CO -0.00 0.05 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.25 3juy s GLN 180 N -0.98 3.05 -0.18 -0.62 0.74 0.22 -1.49 119.66 120.40 3juy s GLN 180 Ca 0.06 -0.61 -0.05 0.00 0.05 0.00 0.00 55.36 54.81 3juy s GLN 180 Cb -0.08 -2.62 0.06 0.00 1.10 0.00 0.00 33.01 31.47 3juy s GLN 180 CO 0.01 0.46 0.09 -1.58 -0.55 0.00 0.00 175.29 173.72 3juy s HIS 181 N -0.27 0.20 -0.39 1.67 2.46 -0.26 -0.47 115.29 118.24 3juy s HIS 181 Ca 0.03 -0.36 -0.25 0.00 0.47 0.00 0.00 55.06 54.95 3juy s HIS 181 Cb -0.13 -0.71 0.02 0.00 -0.13 0.00 0.00 32.58 31.63 3juy s HIS 181 CO 0.03 -0.54 0.87 0.15 -2.47 0.00 0.00 174.74 172.78 3juy s LYS 182 N 2.14 3.73 0.20 2.88 -0.14 -1.26 -1.46 119.74 125.83 3juy s LYS 182 Ca 0.03 0.37 -0.31 0.00 -1.36 0.00 0.00 55.97 54.70 3juy s LYS 182 Cb -0.16 -3.84 -0.16 0.00 -1.68 0.00 0.00 37.83 32.00 3juy s LYS 182 CO -0.12 -0.98 0.99 -2.30 -0.76 0.00 0.00 175.35 172.18 3juy n PRO 183 N 6.74 0.94 0.00 -1.68 -0.02 -1.26 -1.18 135.00 138.54 3juy n PRO 183 Ca 0.05 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3juy n PRO 183 Cb 0.48 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3juy n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 184 N 1.74 3.42 3.74 -1.23 0.00 -1.26 -5.06 105.19 106.54 3juy n GLY 184 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3juy n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juy s GLN 185 N -0.88 2.31 0.30 1.61 -0.21 -0.33 -5.04 119.66 117.42 3juy s GLN 185 Ca 0.00 -1.69 -0.29 0.00 0.02 0.00 0.00 55.36 53.40 3juy s GLN 185 Cb 0.00 -2.10 -0.11 0.00 1.00 0.00 0.00 33.01 31.80 3juy s GLN 185 CO 0.00 -0.02 1.52 0.00 -2.12 0.00 0.00 175.29 174.67 3juy s ALA 186 N -2.51 3.67 0.68 6.09 0.00 -1.26 -4.74 121.76 123.68 3juy s ALA 186 Ca 0.40 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.69 3juy s ALA 186 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3juy s ALA 186 CO 0.23 -0.93 1.10 -2.30 0.00 0.00 0.00 175.76 173.86 3juy n PRO 187 N 1.75 0.78 -4.20 0.00 -0.02 -1.26 -4.71 135.00 127.34 3juy n PRO 187 Ca 0.06 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.67 3juy n PRO 187 Cb 0.39 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 3juy n PRO 187 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3juy s ARG 188 N -3.28 0.74 0.21 -0.52 3.52 0.39 -4.33 118.95 115.68 3juy s ARG 188 Ca 0.78 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 3juy s ARG 188 Cb -0.37 -0.74 -0.08 0.00 -1.56 0.00 0.00 34.95 32.20 3juy s ARG 188 CO 0.46 -0.01 1.08 -1.17 -0.81 0.00 0.00 175.30 174.85 3juy s LEU 189 N 0.58 4.52 -0.12 -0.88 2.96 -1.26 -0.61 118.68 123.88 3juy s LEU 189 Ca -0.08 2.11 -0.07 0.00 -0.22 0.00 0.00 54.13 55.87 3juy s LEU 189 Cb -0.11 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3juy s LEU 189 CO 0.00 -0.16 -0.17 0.52 -1.32 0.00 0.00 176.35 175.22 3juy n VAL 190 N 2.02 0.88 -4.08 1.68 0.31 0.40 -4.77 118.33 114.76 3juy n VAL 190 Ca 0.01 -0.09 -0.18 0.00 -0.01 0.00 0.00 64.34 64.08 3juy n VAL 190 Cb 0.46 -1.74 -0.16 0.00 -0.91 0.00 0.00 33.84 31.49 3juy n VAL 190 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3juy s ILE 191 N -2.29 0.37 0.16 2.52 -1.09 -1.16 -1.46 121.20 118.25 3juy s ILE 191 Ca -0.18 -0.08 0.08 0.00 -2.23 0.00 0.00 60.65 58.24 3juy s ILE 191 Cb 0.06 -0.40 -0.04 0.00 -1.58 0.00 0.00 42.46 40.50 3juy s ILE 191 CO 0.23 0.16 -0.17 -1.38 -1.23 0.00 0.00 174.94 172.56 3juy s HIS 192 N 0.65 1.70 -1.00 3.97 -3.43 0.05 -0.45 115.29 116.77 3juy s HIS 192 Ca -0.07 -0.50 -0.05 0.00 -0.80 0.00 0.00 55.06 53.63 3juy s HIS 192 Cb -0.11 -0.85 0.01 0.00 -1.43 0.00 0.00 32.58 30.20 3juy s HIS 192 CO -0.01 0.28 0.71 0.41 -2.00 0.00 0.00 174.74 174.14 3juy n GLY 193 N 0.29 -0.12 4.83 -1.38 0.00 -0.28 -0.74 105.19 107.78 3juy n GLY 193 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3juy n GLY 193 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3juy n VAL 194 N -4.23 0.00 0.00 1.61 0.31 0.53 -3.98 118.33 112.57 3juy n VAL 194 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3juy n VAL 194 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 3juy n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3juy n SER 195 N 1.69 0.01 -4.62 4.52 3.41 -1.21 -2.89 113.62 114.53 3juy n SER 195 Ca 0.00 -0.12 -0.43 0.00 -0.26 0.00 0.00 58.87 58.06 3juy n SER 195 Cb 0.00 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3juy n SER 195 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3juy s ASN 196 N -0.24 6.73 0.21 4.04 0.01 0.08 -4.57 114.94 121.20 3juy s ASN 196 Ca 0.00 0.84 -0.30 0.00 -0.71 0.00 0.00 52.86 52.69 3juy s ASN 196 Cb 0.00 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.03 3juy s ASN 196 CO 0.00 -1.10 1.22 -0.60 -1.51 0.00 0.00 177.10 175.11 3juy s ARG 197 N 4.14 4.48 0.49 -0.60 3.52 -1.26 -0.77 118.95 128.94 3juy s ARG 197 Ca 0.49 1.93 -0.20 0.00 -0.13 0.00 0.00 55.73 57.82 3juy s ARG 197 Cb -0.11 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 3juy s ARG 197 CO 0.24 -0.10 1.05 0.00 -0.81 0.00 0.00 175.30 175.68 3juy s ALA 198 N -0.20 2.86 0.42 6.12 0.00 -0.53 -4.90 121.76 125.52 3juy s ALA 198 Ca 0.52 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 3juy s ALA 198 Cb -0.34 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 3juy s ALA 198 CO 0.38 -0.35 1.27 -1.13 0.00 0.00 0.00 175.76 175.94 3juy n SER 199 N -0.99 2.56 0.00 0.00 3.41 -1.26 -1.41 113.62 115.93 3juy n SER 199 Ca 0.09 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 3juy n SER 199 Cb 0.52 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 3juy n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3juy n GLY 200 N 0.81 0.42 3.72 5.00 0.00 -1.26 -5.02 105.19 108.85 3juy n GLY 200 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3juy n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juy s ILE 201 N -1.92 5.39 0.63 -0.61 -1.09 -0.50 -5.08 121.20 118.02 3juy s ILE 201 Ca 0.00 0.23 -0.17 0.00 -2.23 0.00 0.00 60.65 58.48 3juy s ILE 201 Cb 0.00 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 3juy s ILE 201 CO 0.00 0.42 1.14 -0.55 -1.23 0.00 0.00 174.94 174.72 3juy s SER 202 N 0.48 5.13 0.00 3.58 0.15 -1.26 -4.87 113.70 116.91 3juy s SER 202 Ca 0.09 2.14 0.13 0.00 0.70 0.00 0.00 55.95 59.01 3juy s SER 202 Cb -0.12 -2.57 0.65 0.00 -1.71 0.00 0.00 66.02 62.28 3juy s SER 202 CO -0.00 -1.62 1.36 -0.90 1.20 0.00 0.00 173.24 173.28 3juy n ASP 203 N -2.09 0.00 -0.29 5.45 5.75 -1.26 -1.41 116.55 122.69 3juy n ASP 203 Ca 0.11 0.18 0.11 0.00 -0.01 0.00 0.00 54.79 55.18 3juy n ASP 203 Cb 0.51 -0.33 0.26 0.00 -1.03 0.00 0.00 41.12 40.54 3juy n ASP 203 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3juy h ARG 204 N 0.00 0.20 -5.88 0.11 3.08 -1.93 -3.42 114.38 106.54 3juy h ARG 204 Ca 0.00 -0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.46 3juy h ARG 204 Cb 0.15 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 3juy h ARG 204 CO 0.00 0.13 -0.09 -0.06 -1.07 0.00 0.00 179.97 178.88 3juy s PHE 205 N -5.97 3.58 0.09 3.04 0.40 -0.50 -1.54 117.98 117.08 3juy s PHE 205 Ca -0.12 1.01 -0.08 0.00 -0.60 0.00 0.00 56.93 57.13 3juy s PHE 205 Cb 0.25 -2.56 -0.00 0.00 0.51 0.00 0.00 43.02 41.21 3juy s PHE 205 CO 0.77 0.25 0.18 -1.54 0.70 0.00 0.00 175.22 175.58 3juy s SER 206 N 0.27 0.14 0.20 1.36 1.04 -0.47 -4.94 113.70 111.30 3juy s SER 206 Ca 0.28 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 56.04 3juy s SER 206 Cb -0.16 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 3juy s SER 206 CO 0.13 -0.73 0.03 -0.83 0.98 0.00 0.00 173.24 172.83 3juy s GLY 207 N -2.87 1.41 0.06 7.32 0.00 -1.26 0.07 107.32 112.06 3juy s GLY 207 Ca 0.05 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.80 3juy s GLY 207 CO -0.11 -1.55 1.12 -1.35 0.00 0.00 0.00 173.10 171.21 3juy s SER 208 N -3.22 -0.13 0.00 1.64 1.04 -0.70 -4.38 113.70 107.95 3juy s SER 208 Ca 0.29 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.46 3juy s SER 208 Cb 0.07 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3juy s SER 208 CO 0.07 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3juy n GLY 209 N -0.46 1.20 3.66 7.32 0.00 -1.26 -1.36 105.19 114.28 3juy n GLY 209 Ca -0.07 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 3juy n GLY 209 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3juy s SER 210 N 0.00 -0.23 1.17 1.61 0.01 -1.04 -5.00 113.70 110.23 3juy s SER 210 Ca 0.00 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.02 3juy s SER 210 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 3juy s SER 210 CO 0.00 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.51 3juy n GLY 211 N -0.39 0.51 0.00 3.44 0.00 -1.26 -2.15 105.19 105.33 3juy n GLY 211 Ca -0.07 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3juy n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3juy n THR 212 N 0.00 0.00 -4.05 2.61 -2.24 -1.26 -0.93 114.28 108.41 3juy n THR 212 Ca 0.00 -0.35 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 3juy n THR 212 Cb 0.00 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.25 3juy n THR 212 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3juy s ASP 213 N -0.28 3.12 0.06 3.42 1.11 -0.92 -0.05 116.67 123.13 3juy s ASP 213 Ca 0.00 -0.69 0.06 0.00 0.18 0.00 0.00 52.55 52.10 3juy s ASP 213 Cb 0.00 -1.33 -0.03 0.00 1.07 0.00 0.00 42.92 42.64 3juy s ASP 213 CO 0.00 -0.06 -0.17 -0.36 1.18 0.00 0.00 175.17 175.76 3juy s PHE 214 N 1.37 1.46 0.03 4.23 0.08 -0.59 -2.48 117.98 122.07 3juy s PHE 214 Ca 0.03 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.68 3juy s PHE 214 Cb -0.14 -0.84 -0.02 0.00 -0.57 0.00 0.00 43.02 41.45 3juy s PHE 214 CO -0.11 0.09 -0.04 0.95 -0.10 0.00 0.00 175.22 176.02 3juy s THR 215 N -1.04 0.20 0.02 0.64 -4.23 -0.47 -0.48 115.64 110.28 3juy s THR 215 Ca 0.03 -1.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.53 3juy s THR 215 Cb -0.09 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.20 3juy s THR 215 CO 0.02 -0.56 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.09 3juy s LEU 216 N -1.72 2.31 -0.02 4.79 2.96 -0.65 -1.73 118.68 124.61 3juy s LEU 216 Ca -0.11 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3juy s LEU 216 Cb -0.07 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.24 3juy s LEU 216 CO -0.02 0.28 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.32 3juy s THR 217 N -0.78 0.68 -0.26 3.68 2.01 0.11 -0.82 115.64 120.27 3juy s THR 217 Ca 0.12 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3juy s THR 217 Cb -0.10 -0.60 0.05 0.00 0.01 0.00 0.00 72.50 71.85 3juy s THR 217 CO 0.02 0.21 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.45 3juy s ILE 218 N 0.09 2.49 0.05 1.82 1.01 -0.03 -1.37 121.20 125.27 3juy s ILE 218 Ca -0.01 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 58.98 3juy s ILE 218 Cb -0.07 -2.39 -0.17 0.00 0.01 0.00 0.00 42.46 39.85 3juy s ILE 218 CO 0.00 0.04 1.55 0.71 0.00 0.00 0.00 174.94 177.24 3juy h THR 219 N 6.51 0.90 -3.24 2.92 1.35 -1.57 -1.66 112.91 118.11 3juy h THR 219 Ca -0.24 -0.30 -0.56 0.00 -0.55 0.00 0.00 66.41 64.75 3juy h THR 219 Cb 1.07 1.09 -0.35 0.00 -1.73 0.00 0.00 68.15 68.22 3juy h THR 219 CO 0.52 0.07 -0.82 -0.13 -0.25 0.00 0.00 175.52 174.90 3juy s ARG 220 N -5.56 1.99 0.38 4.72 0.52 -1.25 -3.92 118.95 115.83 3juy s ARG 220 Ca -0.14 -0.46 -0.25 0.00 -0.52 0.00 0.00 55.73 54.35 3juy s ARG 220 Cb 0.04 -1.78 -0.09 0.00 0.52 0.00 0.00 34.95 33.64 3juy s ARG 220 CO 0.64 -0.13 1.06 0.08 0.02 0.00 0.00 175.30 176.96 3juy s VAL 221 N 1.20 3.68 0.35 3.52 1.01 -0.85 -4.84 120.40 124.47 3juy s VAL 221 Ca -0.03 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.38 3juy s VAL 221 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3juy s VAL 221 CO -0.04 0.06 -0.04 -1.61 0.00 0.00 0.00 175.10 173.46 3juy s GLU 222 N -2.35 1.92 0.51 2.72 0.41 -1.26 -2.25 118.70 118.41 3juy s GLU 222 Ca 0.56 -1.89 0.33 0.00 -0.41 0.00 0.00 54.97 53.56 3juy s GLU 222 Cb -0.23 -1.78 1.46 0.00 -1.78 0.00 0.00 34.13 31.80 3juy s GLU 222 CO 0.30 0.11 1.99 -1.35 -0.49 0.00 0.00 175.26 175.81 3juy h PRO 223 N 1.92 0.00 -0.00 0.39 0.11 -1.97 -2.58 132.00 129.87 3juy h PRO 223 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3juy h PRO 223 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3juy h PRO 223 CO 0.70 0.00 -0.04 -0.85 -0.21 0.00 0.00 178.00 177.60 3juy n GLU 224 N -2.91 0.75 0.04 1.05 0.00 -1.26 -3.62 120.64 114.69 3juy n GLU 224 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 57.16 57.13 3juy n GLU 224 Cb 0.25 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.33 3juy n GLU 224 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3juy n ASP 225 N -1.00 0.64 -4.60 -1.84 8.00 -0.97 -4.81 116.55 111.98 3juy n ASP 225 Ca 0.17 -0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 3juy n ASP 225 Cb 0.23 0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 3juy n ASP 225 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3juy s PHE 226 N -3.15 1.68 0.06 1.24 0.40 -1.24 -4.86 117.98 112.11 3juy s PHE 226 Ca 0.06 0.63 -0.03 0.00 -0.60 0.00 0.00 56.93 57.00 3juy s PHE 226 Cb 0.14 -4.08 0.01 0.00 0.51 0.00 0.00 43.02 39.60 3juy s PHE 226 CO 0.74 -3.11 0.13 0.00 0.70 0.00 0.00 175.22 173.69 3juy n ALA 227 N 10.70 -0.31 -2.61 5.36 0.00 -1.17 -4.88 120.51 127.59 3juy n ALA 227 Ca 0.24 -0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.14 3juy n ALA 227 Cb 0.47 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 3juy n ALA 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3juy s LEU 228 N 0.00 4.34 -0.06 0.00 1.43 -0.53 -1.80 118.68 122.06 3juy s LEU 228 Ca 0.03 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 3juy s LEU 228 Cb -0.01 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 3juy s LEU 228 CO 0.02 0.17 -0.24 -0.31 0.23 0.00 0.00 176.35 176.22 3juy s TYR 229 N -1.41 2.37 0.01 0.29 2.02 0.11 -1.10 117.35 119.64 3juy s TYR 229 Ca 0.33 -0.76 0.06 0.00 -0.37 0.00 0.00 57.07 56.33 3juy s TYR 229 Cb -0.14 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3juy s TYR 229 CO 0.18 -0.25 -0.18 0.71 -1.57 0.00 0.00 175.55 174.44 3juy s TYR 230 N -0.04 1.58 0.32 2.71 1.51 -0.55 -0.31 117.35 122.57 3juy s TYR 230 Ca -0.07 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 3juy s TYR 230 Cb -0.14 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3juy s TYR 230 CO 0.04 0.02 0.44 0.00 -1.11 0.00 0.00 175.55 174.95 3juy s GLN 232 N -4.13 0.57 -0.20 0.00 0.74 0.25 -1.71 119.66 115.18 3juy s GLN 232 Ca 0.43 0.76 -0.09 0.00 0.05 0.00 0.00 55.36 56.51 3juy s GLN 232 Cb -0.09 0.23 -0.05 0.00 1.10 0.00 0.00 33.01 34.20 3juy s GLN 232 CO 0.30 -0.09 0.12 0.08 -0.55 0.00 0.00 175.29 175.15 3juy s VAL 233 N 0.55 5.25 0.15 1.34 1.01 -0.88 -0.73 120.40 127.08 3juy s VAL 233 Ca -0.02 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3juy s VAL 233 Cb -0.04 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3juy s VAL 233 CO -0.03 0.43 -0.17 -0.72 0.00 0.00 0.00 175.10 174.61 3juy s TYR 234 N 0.50 1.66 0.00 5.22 -0.85 -0.88 -1.82 117.35 121.17 3juy s TYR 234 Ca 0.07 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 3juy s TYR 234 Cb -0.12 -0.84 0.00 0.00 0.38 0.00 0.00 41.96 41.38 3juy s TYR 234 CO -0.00 0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.70 3juy n GLY 235 N 0.37 3.34 0.11 5.49 0.00 -1.23 -4.76 105.19 108.52 3juy n GLY 235 Ca -0.14 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 3juy n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy h ALA 236 N 1.98 -0.07 0.00 4.61 0.00 -1.91 -3.43 119.26 120.46 3juy h ALA 236 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3juy h ALA 236 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3juy h ALA 236 CO 0.00 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 3juy n SER 237 N -4.17 0.86 -3.64 0.00 3.41 -1.26 -5.01 113.62 103.80 3juy n SER 237 Ca -0.14 -1.25 -0.18 0.00 -0.26 0.00 0.00 58.87 57.04 3juy n SER 237 Cb 0.79 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.58 3juy n SER 237 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3juy s SER 238 N -0.25 0.99 -0.03 4.04 1.04 -1.26 -4.94 113.70 113.28 3juy s SER 238 Ca 0.00 0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.66 3juy s SER 238 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 3juy s SER 238 CO 0.00 -0.26 -0.22 -0.31 0.98 0.00 0.00 173.24 173.43 3juy s TYR 239 N 2.27 2.47 -0.10 5.02 1.51 -1.26 -3.48 117.35 123.78 3juy s TYR 239 Ca 0.04 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 3juy s TYR 239 Cb -0.13 -1.55 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 3juy s TYR 239 CO -0.06 0.03 0.26 -0.08 -1.11 0.00 0.00 175.55 174.59 3juy s THR 240 N -0.62 -0.01 0.17 -0.71 -1.32 -0.76 -4.64 115.64 107.75 3juy s THR 240 Ca 0.10 0.03 0.06 0.00 -1.21 0.00 0.00 61.69 60.67 3juy s THR 240 Cb -0.10 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 3juy s THR 240 CO -0.00 0.01 0.06 -0.36 -2.21 0.00 0.00 174.62 172.11 3juy s PHE 241 N 0.35 2.97 0.72 9.09 0.40 -1.26 -2.07 117.98 128.18 3juy s PHE 241 Ca -0.02 -0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.14 3juy s PHE 241 Cb -0.03 -1.43 0.05 0.00 0.51 0.00 0.00 43.02 42.12 3juy s PHE 241 CO -0.01 0.52 1.06 0.20 0.70 0.00 0.00 175.22 177.68 3juy s GLY 242 N -3.00 1.64 0.04 4.36 0.00 -0.69 -4.56 107.32 105.11 3juy s GLY 242 Ca 0.29 -0.74 0.24 0.00 0.00 0.00 0.00 44.72 44.51 3juy s GLY 242 CO 0.21 -0.33 1.75 0.61 0.00 0.00 0.00 173.10 175.34 3juy n GLN 243 N -3.00 0.04 0.00 2.90 0.00 -1.26 -4.69 117.38 111.37 3juy n GLN 243 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 57.00 57.21 3juy n GLN 243 Cb 0.60 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.28 3juy n GLN 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3juy n GLY 244 N 0.91 2.27 3.00 2.61 0.00 -1.26 -4.86 105.19 107.85 3juy n GLY 244 Ca 0.05 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 3juy n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3juy s THR 245 N -2.20 1.21 -0.27 2.61 2.01 0.58 -4.77 115.64 114.81 3juy s THR 245 Ca 0.00 -0.47 -0.22 0.00 0.31 0.00 0.00 61.69 61.31 3juy s THR 245 Cb 0.00 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 3juy s THR 245 CO 0.00 0.38 0.71 -0.75 -0.69 0.00 0.00 174.62 174.27 3juy s LYS 246 N 1.08 4.08 -0.59 4.92 2.20 -0.23 -0.71 119.74 130.48 3juy s LYS 246 Ca -0.06 0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 55.99 3juy s LYS 246 Cb -0.14 -3.67 0.10 0.00 -1.51 0.00 0.00 37.83 32.61 3juy s LYS 246 CO -0.02 -0.50 0.70 -1.17 -0.36 0.00 0.00 175.35 174.00 3juy s LEU 247 N 2.68 5.40 0.11 5.43 2.96 -0.75 -0.09 118.68 134.43 3juy s LEU 247 Ca 0.29 -1.43 0.03 0.00 -0.22 0.00 0.00 54.13 52.80 3juy s LEU 247 Cb -0.15 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 3juy s LEU 247 CO 0.09 -1.11 0.16 -1.83 -1.32 0.00 0.00 176.35 172.35 3juy s GLU 248 N 2.67 3.11 0.40 1.98 -1.05 -0.84 -3.02 118.70 121.95 3juy s GLU 248 Ca 0.11 -0.67 -0.24 0.00 -0.15 0.00 0.00 54.97 54.02 3juy s GLU 248 Cb -0.24 -2.82 -0.09 0.00 -0.44 0.00 0.00 34.13 30.54 3juy s GLU 248 CO 0.06 0.54 1.07 0.50 0.95 0.00 0.00 175.26 178.39 3juy s ARG 249 N -2.78 4.12 0.00 -4.83 3.52 -1.26 -2.53 118.95 115.18 3juy s ARG 249 Ca 0.32 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.49 3juy s ARG 249 Cb -0.12 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 3juy s ARG 249 CO 0.25 -0.19 0.00 1.63 -0.81 0.00 0.00 175.30 176.18