#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grw s VAL 2 N 0.00 4.32 -0.08 6.31 1.01 -1.26 -4.93 120.40 125.78 3grw s VAL 2 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.65 3grw s VAL 2 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3grw s VAL 2 CO 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 175.10 175.16 3grw s GLN 3 N 1.04 2.87 -0.03 2.72 -2.07 -1.26 -4.82 119.66 118.11 3grw s GLN 3 Ca 0.56 -0.55 0.06 0.00 -1.82 0.00 0.00 55.36 53.61 3grw s GLN 3 Cb -0.27 -2.62 -0.01 0.00 -1.09 0.00 0.00 33.01 29.02 3grw s GLN 3 CO 0.29 0.60 -0.21 -0.51 -1.32 0.00 0.00 175.29 174.14 3grw s LEU 4 N -0.64 2.02 -0.18 2.60 1.02 -1.26 -0.97 118.68 121.26 3grw s LEU 4 Ca 0.10 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.86 3grw s LEU 4 Cb -0.12 -1.10 0.04 0.00 0.02 0.00 0.00 46.19 45.03 3grw s LEU 4 CO 0.02 0.23 -0.12 -0.69 0.02 0.00 0.00 176.35 175.81 3grw s VAL 5 N -0.33 1.64 0.16 -1.59 1.01 -0.59 -3.91 120.40 116.79 3grw s VAL 5 Ca 0.04 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 3grw s VAL 5 Cb -0.10 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 3grw s VAL 5 CO 0.00 0.27 0.61 -1.61 0.00 0.00 0.00 175.10 174.38 3grw s GLU 6 N 1.42 4.12 0.17 2.72 8.01 -1.26 -1.48 118.70 132.39 3grw s GLU 6 Ca 0.01 0.67 -0.03 0.00 0.01 0.00 0.00 54.97 55.63 3grw s GLU 6 Cb -0.15 -2.98 -0.03 0.00 -4.31 0.00 0.00 34.13 26.66 3grw s GLU 6 CO -0.09 0.48 0.15 -1.54 0.01 0.00 0.00 175.26 174.28 3grw s SER 7 N -1.57 0.18 0.00 -0.19 1.04 -0.32 -4.78 113.70 108.06 3grw s SER 7 Ca 0.38 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3grw s SER 7 Cb -0.17 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3grw s SER 7 CO 0.20 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.20 3grw n GLY 8 N -0.19 0.65 3.75 7.32 0.00 -1.26 -1.43 105.19 114.03 3grw n GLY 8 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3grw n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3grw s GLY 9 N -0.88 1.96 0.00 -0.02 0.00 -1.26 -4.77 107.32 102.34 3grw s GLY 9 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.23 3grw s GLY 9 CO 0.00 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.58 3grw n GLY 10 N -0.53 -0.58 3.74 0.20 0.00 -0.24 -4.91 105.19 102.87 3grw n GLY 10 Ca 0.11 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 3grw n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3grw s LEU 11 N 0.00 4.26 -0.02 0.99 0.20 -1.26 -0.99 118.68 121.86 3grw s LEU 11 Ca 0.00 0.55 -0.06 0.00 0.69 0.00 0.00 54.13 55.31 3grw s LEU 11 Cb 0.00 -2.40 0.01 0.00 -0.43 0.00 0.00 46.19 43.36 3grw s LEU 11 CO 0.00 0.11 0.14 0.54 -0.29 0.00 0.00 176.35 176.84 3grw s VAL 12 N 0.38 0.05 0.43 1.68 0.11 -0.50 -4.98 120.40 117.57 3grw s VAL 12 Ca 0.18 -0.38 -0.21 0.00 -2.93 0.00 0.00 61.98 58.63 3grw s VAL 12 Cb -0.13 -0.33 -0.10 0.00 -1.53 0.00 0.00 36.38 34.29 3grw s VAL 12 CO 0.05 -0.21 0.97 -1.10 -3.33 0.00 0.00 175.10 171.48 3grw s GLN 13 N -0.70 4.17 0.28 1.54 -0.21 -1.25 -1.84 119.66 121.64 3grw s GLN 13 Ca -0.08 1.20 -0.29 0.00 0.02 0.00 0.00 55.36 56.21 3grw s GLN 13 Cb -0.05 -2.23 -0.14 0.00 1.00 0.00 0.00 33.01 31.60 3grw s GLN 13 CO 0.01 -0.09 1.19 -2.30 -2.12 0.00 0.00 175.29 171.98 3grw n PRO 14 N -0.58 1.68 0.00 2.91 -0.02 -1.26 -0.74 135.00 136.99 3grw n PRO 14 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3grw n PRO 14 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3grw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3grw n GLY 15 N 1.39 2.17 3.31 -1.23 0.00 0.34 -4.95 105.19 106.22 3grw n GLY 15 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 3grw n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grw n GLY 16 N -2.00 -1.65 3.31 -0.02 0.00 0.08 -3.88 105.19 101.04 3grw n GLY 16 Ca 0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 3grw n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3grw s SER 17 N -5.07 2.64 -0.20 1.61 0.01 -1.26 -1.91 113.70 109.53 3grw s SER 17 Ca 0.65 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.96 3grw s SER 17 Cb -0.02 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.11 3grw s SER 17 CO 0.46 0.02 0.53 -0.22 0.41 0.00 0.00 173.24 174.44 3grw s LEU 18 N -2.30 -0.08 -0.20 2.44 0.20 0.54 -5.00 118.68 114.27 3grw s LEU 18 Ca 0.11 1.08 -0.02 0.00 0.69 0.00 0.00 54.13 55.99 3grw s LEU 18 Cb -0.08 1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 47.48 3grw s LEU 18 CO 0.06 -0.19 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.25 3grw s ARG 19 N 0.47 3.33 0.17 1.98 3.52 -1.26 0.09 118.95 127.25 3grw s ARG 19 Ca -0.02 -0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 3grw s ARG 19 Cb -0.04 -2.88 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 3grw s ARG 19 CO -0.02 -0.12 0.38 -0.51 -0.81 0.00 0.00 175.30 174.23 3grw s LEU 20 N 1.23 4.24 0.16 -0.88 1.43 0.01 -4.68 118.68 120.20 3grw s LEU 20 Ca 0.03 0.52 0.10 0.00 -1.03 0.00 0.00 54.13 53.75 3grw s LEU 20 Cb -0.14 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3grw s LEU 20 CO -0.03 0.01 -0.23 -0.94 0.23 0.00 0.00 176.35 175.39 3grw s SER 21 N -2.72 3.09 -0.25 2.29 1.04 -0.52 -1.08 113.70 115.55 3grw s SER 21 Ca 0.40 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 3grw s SER 21 Cb -0.12 -0.21 0.08 0.00 0.10 0.00 0.00 66.02 65.88 3grw s SER 21 CO 0.27 0.08 0.09 0.00 0.98 0.00 0.00 173.24 174.66 3grw s ALA 23 N 1.95 3.56 -0.10 0.00 0.00 -0.55 -0.98 121.76 125.63 3grw s ALA 23 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 3grw s ALA 23 Cb -0.17 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3grw s ALA 23 CO -0.23 -0.57 -0.02 0.00 0.00 0.00 0.00 175.76 174.94 3grw s ALA 24 N 1.95 3.17 0.98 0.00 0.00 -0.10 -1.55 121.76 126.21 3grw s ALA 24 Ca 0.27 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 3grw s ALA 24 Cb -0.16 -1.48 0.20 0.00 0.00 0.00 0.00 23.12 21.68 3grw s ALA 24 CO 0.10 0.47 1.27 -1.54 0.00 0.00 0.00 175.76 176.06 3grw s SER 25 N -0.51 2.92 0.00 0.00 1.04 -0.15 -4.84 113.70 112.17 3grw s SER 25 Ca 0.08 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.92 3grw s SER 25 Cb -0.12 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.45 3grw s SER 25 CO 0.02 -2.86 0.00 0.61 0.98 0.00 0.00 173.24 171.99 3grw n GLY 26 N -3.21 -2.92 0.52 7.32 0.00 -1.26 -4.70 105.19 100.93 3grw n GLY 26 Ca 0.14 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.43 3grw n GLY 26 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3grw n PHE 27 N -0.46 0.00 -0.94 1.61 3.01 -1.26 -4.71 117.46 114.72 3grw n PHE 27 Ca 0.00 -0.52 0.06 0.00 1.01 0.00 0.00 57.45 58.00 3grw n PHE 27 Cb 0.00 -0.11 0.08 0.00 -0.01 0.00 0.00 39.48 39.44 3grw n PHE 27 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3grw n THR 28 N -0.47 1.30 -0.34 4.37 -2.24 -1.26 -4.84 114.28 110.80 3grw n THR 28 Ca 0.08 -1.52 0.13 0.00 -2.27 0.00 0.00 64.05 60.46 3grw n THR 28 Cb 0.74 0.11 0.31 0.00 -2.10 0.00 0.00 70.33 69.40 3grw n THR 28 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3grw h PHE 29 N 0.00 0.97 0.00 4.78 3.57 -1.89 -2.68 116.94 121.69 3grw h PHE 29 Ca 0.00 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 3grw h PHE 29 Cb 0.93 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 3grw h PHE 29 CO 0.01 0.17 -0.57 1.15 -2.23 0.00 0.00 178.31 176.85 3grw h THR 30 N 0.68 1.13 -0.01 4.41 2.02 -1.93 -3.22 112.91 115.99 3grw h THR 30 Ca 0.57 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.57 3grw h THR 30 Cb 0.92 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3grw h THR 30 CO -0.41 0.56 -0.59 -1.54 0.37 0.00 0.00 175.52 173.91 3grw n SER 31 N -3.45 1.78 -4.68 4.18 3.41 -1.03 -4.27 113.62 109.56 3grw n SER 31 Ca 0.00 -1.38 -0.29 0.00 -0.26 0.00 0.00 58.87 56.94 3grw n SER 31 Cb 0.67 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 65.17 3grw n SER 31 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3grw n THR 32 N -0.37 0.00 -4.37 6.66 -2.24 -1.12 -4.88 114.28 107.96 3grw n THR 32 Ca 0.08 -2.26 -0.29 0.00 -2.27 0.00 0.00 64.05 59.32 3grw n THR 32 Cb 0.44 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 3grw n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3grw n GLY 33 N -1.16 3.24 2.95 3.38 0.00 0.92 -1.45 105.19 113.08 3grw n GLY 33 Ca -0.13 -2.34 -0.22 0.00 0.00 0.00 0.00 46.02 43.34 3grw n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grw s ILE 34 N -2.70 0.77 0.12 -0.61 -1.09 -0.32 -1.62 121.20 115.75 3grw s ILE 34 Ca 0.12 -0.27 0.06 0.00 -2.23 0.00 0.00 60.65 58.34 3grw s ILE 34 Cb -0.01 -0.75 -0.04 0.00 -1.58 0.00 0.00 42.46 40.08 3grw s ILE 34 CO 0.08 0.27 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.58 3grw s SER 35 N 0.78 4.71 -0.11 3.58 0.01 -0.03 -1.14 113.70 121.49 3grw s SER 35 Ca -0.13 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3grw s SER 35 Cb -0.15 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.06 3grw s SER 35 CO 0.02 0.15 -0.14 0.26 0.41 0.00 0.00 173.24 173.93 3grw s TRP 36 N -1.40 2.75 0.01 2.43 0.52 -0.02 -0.37 118.94 122.86 3grw s TRP 36 Ca 0.25 -0.55 0.02 0.00 0.02 0.00 0.00 56.10 55.83 3grw s TRP 36 Cb -0.11 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 3grw s TRP 36 CO 0.17 -0.13 -0.05 0.14 0.02 0.00 0.00 176.95 177.10 3grw s VAL 37 N 0.06 0.39 0.26 4.03 -7.23 0.04 -0.76 120.40 117.20 3grw s VAL 37 Ca -0.06 -0.48 0.12 0.00 -1.81 0.00 0.00 61.98 59.75 3grw s VAL 37 Cb -0.15 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 3grw s VAL 37 CO 0.05 -0.07 -0.19 0.00 -0.31 0.00 0.00 175.10 174.57 3grw s ARG 38 N -0.60 1.70 -0.20 4.82 1.70 0.19 -0.23 118.95 126.33 3grw s ARG 38 Ca -0.03 -1.70 -0.04 0.00 -0.47 0.00 0.00 55.73 53.49 3grw s ARG 38 Cb -0.05 -1.81 0.07 0.00 -0.57 0.00 0.00 34.95 32.59 3grw s ARG 38 CO -0.00 0.34 0.08 -1.14 -1.08 0.00 0.00 175.30 173.51 3grw s GLN 39 N -3.38 0.26 0.43 3.89 0.74 0.42 -0.36 119.66 121.66 3grw s GLN 39 Ca 0.29 -0.29 -0.23 0.00 0.05 0.00 0.00 55.36 55.17 3grw s GLN 39 Cb -0.06 -1.78 -0.08 0.00 1.10 0.00 0.00 33.01 32.19 3grw s GLN 39 CO 0.15 -0.74 1.10 0.00 -0.55 0.00 0.00 175.29 175.24 3grw s ALA 40 N 2.04 3.02 -0.01 1.58 0.00 -1.26 -1.15 121.76 125.98 3grw s ALA 40 Ca 0.03 0.79 -0.36 0.00 0.00 0.00 0.00 51.96 52.43 3grw s ALA 40 Cb -0.16 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 3grw s ALA 40 CO -0.15 -0.41 1.66 -2.30 0.00 0.00 0.00 175.76 174.56 3grw n PRO 41 N -0.34 1.81 -0.96 0.00 -0.02 -1.26 0.16 135.00 134.39 3grw n PRO 41 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3grw n PRO 41 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3grw n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3grw n GLY 42 N 3.72 0.42 2.79 -1.23 0.00 -1.26 -5.00 105.19 104.62 3grw n GLY 42 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3grw n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3grw n LYS 43 N -1.75 0.98 -0.37 1.61 4.76 0.12 -5.16 118.16 118.36 3grw n LYS 43 Ca 0.00 -2.68 -0.01 0.00 -2.87 0.00 0.00 58.31 52.74 3grw n LYS 43 Cb 0.12 0.51 0.01 0.00 -1.84 0.00 0.00 35.03 33.84 3grw n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3grw n GLY 44 N 0.24 -0.30 3.80 0.72 0.00 -1.26 -4.67 105.19 103.71 3grw n GLY 44 Ca -0.09 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 3grw n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3grw s LEU 45 N 0.00 4.34 -0.13 0.99 1.43 -1.26 -4.00 118.68 120.05 3grw s LEU 45 Ca 0.04 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3grw s LEU 45 Cb -0.00 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 43.91 3grw s LEU 45 CO 0.03 0.24 -0.04 -0.70 0.23 0.00 0.00 176.35 176.10 3grw s GLU 46 N -0.34 1.24 0.20 1.70 2.12 0.51 -4.98 118.70 119.15 3grw s GLU 46 Ca 0.18 -0.28 -0.31 0.00 0.36 0.00 0.00 54.97 54.92 3grw s GLU 46 Cb -0.14 -1.64 -0.10 0.00 0.26 0.00 0.00 34.13 32.51 3grw s GLU 46 CO 0.06 -0.36 1.56 -0.46 -0.54 0.00 0.00 175.26 175.53 3grw s TRP 47 N 1.75 3.01 -0.25 5.30 -0.00 -1.26 -0.63 118.94 126.85 3grw s TRP 47 Ca 0.03 0.69 -0.04 0.00 -0.00 0.00 0.00 56.10 56.77 3grw s TRP 47 Cb -0.14 -3.94 -0.16 0.00 -0.00 0.00 0.00 33.47 29.23 3grw s TRP 47 CO -0.07 -3.39 -0.20 0.28 -0.00 0.00 0.00 176.95 173.57 3grw n VAL 48 N 3.50 1.53 0.00 5.86 0.31 0.07 -4.55 118.33 125.05 3grw n VAL 48 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3grw n VAL 48 Cb 0.38 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 3grw n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3grw n GLY 49 N 1.91 -0.30 3.03 2.92 0.00 -1.09 -1.14 105.19 110.51 3grw n GLY 49 Ca -0.47 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 3grw n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3grw s ARG 50 N -2.00 0.22 -0.18 1.61 3.52 -0.26 -0.85 118.95 121.02 3grw s ARG 50 Ca 0.00 0.06 -0.01 0.00 -0.13 0.00 0.00 55.73 55.65 3grw s ARG 50 Cb 0.00 0.10 -0.00 0.00 -1.56 0.00 0.00 34.95 33.49 3grw s ARG 50 CO 0.00 -0.04 -0.13 -1.50 -0.81 0.00 0.00 175.30 172.82 3grw s ILE 51 N -0.24 2.78 -0.13 4.11 2.07 -0.29 -1.28 121.20 128.21 3grw s ILE 51 Ca -0.03 -0.72 -0.05 0.00 -1.41 0.00 0.00 60.65 58.44 3grw s ILE 51 Cb -0.02 -2.20 0.06 0.00 0.13 0.00 0.00 42.46 40.43 3grw s ILE 51 CO 0.00 0.49 0.28 -0.47 -1.91 0.00 0.00 174.94 173.33 3grw s TYR 52 N 1.06 -0.45 0.30 3.50 5.04 -0.76 -1.18 117.35 124.86 3grw s TYR 52 Ca -0.00 1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.58 3grw s TYR 52 Cb -0.15 0.00 0.08 0.00 0.35 0.00 0.00 41.96 42.24 3grw s TYR 52 CO -0.03 -0.36 0.23 -2.30 -1.34 0.00 0.00 175.55 171.75 3grw n PRO 52 N 5.25 -2.00 0.27 4.97 -0.02 -1.26 -3.17 135.00 139.04 3grw n PRO 52 Ca -0.08 -0.37 0.18 0.00 -2.02 0.00 0.00 63.50 61.21 3grw n PRO 52 Cb 0.50 -0.40 0.80 0.00 -0.02 0.00 0.00 33.50 34.38 3grw n PRO 52 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3grw h THR 53 N -2.04 0.00 -0.57 3.45 1.35 -1.42 0.19 112.91 113.88 3grw h THR 53 Ca -0.09 -0.30 -0.10 0.00 -0.55 0.00 0.00 66.41 65.37 3grw h THR 53 Cb 0.29 1.23 -0.06 0.00 -1.73 0.00 0.00 68.15 67.89 3grw h THR 53 CO 0.06 0.00 0.11 -0.46 -0.25 0.00 0.00 175.52 174.98 3grw n ASN 54 N -2.92 4.84 0.00 5.36 2.04 -1.26 -4.46 115.26 118.86 3grw n ASN 54 Ca -0.00 -3.12 0.00 0.00 -0.44 0.00 0.00 54.58 51.02 3grw n ASN 54 Cb 0.21 -0.68 0.00 0.00 -2.53 0.00 0.00 39.78 36.78 3grw n ASN 54 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3grw n GLY 55 N -0.02 4.23 3.96 4.83 0.00 0.68 -5.09 105.19 113.78 3grw n GLY 55 Ca 0.32 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 3grw n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3grw s SER 56 N 0.46 5.89 0.17 1.61 1.04 -1.19 -4.74 113.70 116.94 3grw s SER 56 Ca 0.00 0.21 0.10 0.00 0.48 0.00 0.00 55.95 56.74 3grw s SER 56 Cb 0.00 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 3grw s SER 56 CO 0.00 -0.62 -0.17 0.42 0.98 0.00 0.00 173.24 173.85 3grw s THR 57 N -2.47 2.78 0.03 2.02 -4.23 -1.26 -1.83 115.64 110.68 3grw s THR 57 Ca 0.47 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 3grw s THR 57 Cb -0.10 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 3grw s THR 57 CO 0.36 -0.05 -0.05 0.20 -0.54 0.00 0.00 174.62 174.55 3grw s ASN 58 N -2.56 0.50 0.06 3.99 0.01 -0.40 -5.00 114.94 111.54 3grw s ASN 58 Ca 0.21 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 51.90 3grw s ASN 58 Cb -0.09 0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.61 3grw s ASN 58 CO 0.12 -0.24 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.07 3grw s TYR 59 N -1.34 0.84 0.50 2.20 1.51 -1.26 -1.11 117.35 118.68 3grw s TYR 59 Ca -0.12 -0.57 -0.22 0.00 -1.01 0.00 0.00 57.07 55.15 3grw s TYR 59 Cb -0.09 -0.49 -0.06 0.00 -0.11 0.00 0.00 41.96 41.21 3grw s TYR 59 CO -0.00 -0.06 1.19 0.00 -1.11 0.00 0.00 175.55 175.57 3grw s ALA 60 N -1.80 2.86 0.41 3.71 0.00 -0.30 -4.89 121.76 121.76 3grw s ALA 60 Ca -0.04 0.99 0.12 0.00 0.00 0.00 0.00 51.96 53.03 3grw s ALA 60 Cb -0.07 -3.42 0.95 0.00 0.00 0.00 0.00 23.12 20.58 3grw s ALA 60 CO -0.00 -0.84 1.94 -0.44 0.00 0.00 0.00 175.76 176.42 3grw h ASP 61 N 1.71 0.48 0.12 0.00 3.32 -1.94 -2.05 116.42 118.06 3grw h ASP 61 Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3grw h ASP 61 Cb 1.26 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3grw h ASP 61 CO 0.59 0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 176.84 3grw n SER 62 N -4.49 0.00 0.00 6.45 3.41 -1.26 -3.25 113.62 114.48 3grw n SER 62 Ca 0.12 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3grw n SER 62 Cb 0.40 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3grw n SER 62 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3grw n VAL 63 N -1.16 0.00 -1.67 -3.33 3.14 -0.82 -5.04 118.33 109.45 3grw n VAL 63 Ca 0.07 -0.05 -0.46 0.00 -2.96 0.00 0.00 64.34 60.93 3grw n VAL 63 Cb 0.07 0.51 -0.04 0.00 -1.06 0.00 0.00 33.84 33.32 3grw n VAL 63 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3grw n LYS 64 N -0.30 2.20 0.00 1.45 5.02 -0.92 -1.22 118.16 124.40 3grw n LYS 64 Ca 0.00 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3grw n LYS 64 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 3grw n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3grw n GLY 65 N 3.73 1.99 0.06 0.72 0.00 -1.26 -4.78 105.19 105.64 3grw n GLY 65 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 3grw n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grw n ARG 66 N -2.00 0.32 -4.40 1.61 1.74 -0.71 -5.02 116.66 108.21 3grw n ARG 66 Ca 0.00 0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 3grw n ARG 66 Cb 0.00 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 3grw n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3grw s PHE 67 N -2.23 3.04 -0.02 -1.55 0.40 -0.36 -1.19 117.98 116.07 3grw s PHE 67 Ca -0.15 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 3grw s PHE 67 Cb 0.04 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.88 3grw s PHE 67 CO 0.27 0.42 -0.07 0.99 0.70 0.00 0.00 175.22 177.53 3grw s THR 68 N -0.97 0.62 -0.09 0.64 2.01 -0.07 -4.82 115.64 112.96 3grw s THR 68 Ca 0.16 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 3grw s THR 68 Cb -0.11 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 3grw s THR 68 CO 0.06 0.20 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.53 3grw s ILE 69 N 0.15 4.01 0.28 1.82 1.01 -1.26 -0.13 121.20 127.08 3grw s ILE 69 Ca -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 3grw s ILE 69 Cb -0.07 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3grw s ILE 69 CO 0.00 0.59 0.34 -0.94 0.00 0.00 0.00 174.94 174.93 3grw s SER 70 N -0.70 0.58 -0.09 3.58 1.04 -0.99 -4.99 113.70 112.12 3grw s SER 70 Ca 0.11 -1.37 -0.23 0.00 0.48 0.00 0.00 55.95 54.94 3grw s SER 70 Cb -0.11 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.60 3grw s SER 70 CO 0.02 -1.09 0.54 0.00 0.98 0.00 0.00 173.24 173.69 3grw s ALA 71 N -3.66 -1.38 -0.39 5.32 0.00 -1.26 -0.27 121.76 120.12 3grw s ALA 71 Ca 0.33 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.39 3grw s ALA 71 Cb 0.02 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.98 3grw s ALA 71 CO 0.16 -0.31 0.17 0.34 0.00 0.00 0.00 175.76 176.13 3grw s ASP 72 N -0.77 5.21 0.56 0.00 -1.08 0.50 -4.97 116.67 116.12 3grw s ASP 72 Ca -0.08 -1.89 0.33 0.00 -0.52 0.00 0.00 52.55 50.39 3grw s ASP 72 Cb -0.03 -1.81 1.60 0.00 -1.46 0.00 0.00 42.92 41.22 3grw s ASP 72 CO 0.06 -0.49 2.09 0.71 0.52 0.00 0.00 175.17 178.05 3grw h THR 73 N 6.37 0.27 0.00 1.71 1.35 -1.90 -1.24 112.91 119.47 3grw h THR 73 Ca -0.14 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 3grw h THR 73 Cb 1.05 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3grw h THR 73 CO 0.67 0.06 -0.07 0.77 -0.25 0.00 0.00 175.52 176.70 3grw h SER 74 N 0.00 0.00 -0.00 5.36 4.64 -1.95 -3.22 113.55 118.38 3grw h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3grw h SER 74 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3grw h SER 74 CO 0.01 0.07 -0.66 0.29 -0.87 0.00 0.00 176.83 175.67 3grw n LYS 75 N -3.14 1.52 -3.93 4.77 4.01 -0.58 -4.99 118.16 115.81 3grw n LYS 75 Ca 0.02 -0.25 -0.29 0.00 -0.51 0.00 0.00 58.31 57.28 3grw n LYS 75 Cb 0.46 -1.30 0.01 0.00 -0.51 0.00 0.00 35.03 33.70 3grw n LYS 75 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3grw n ASN 76 N -1.01 -3.17 -4.04 4.39 5.03 -0.57 -4.79 115.26 111.09 3grw n ASN 76 Ca 0.04 -0.86 -0.26 0.00 0.87 0.00 0.00 54.58 54.37 3grw n ASN 76 Cb 0.29 -3.60 -0.17 0.00 -1.02 0.00 0.00 39.78 35.29 3grw n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3grw s THR 77 N -3.47 1.26 0.25 3.41 2.01 -1.08 -0.92 115.64 117.09 3grw s THR 77 Ca 0.45 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.98 3grw s THR 77 Cb -0.23 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3grw s THR 77 CO 0.85 0.38 0.21 0.00 -0.69 0.00 0.00 174.62 175.38 3grw s ALA 78 N 0.68 3.62 0.05 7.40 0.00 -0.16 -0.37 121.76 132.98 3grw s ALA 78 Ca -0.14 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.45 3grw s ALA 78 Cb -0.16 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3grw s ALA 78 CO 0.04 0.26 -0.09 0.71 0.00 0.00 0.00 175.76 176.68 3grw s TYR 79 N -2.11 0.77 -0.26 0.00 2.02 0.63 -0.69 117.35 117.71 3grw s TYR 79 Ca 0.33 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 3grw s TYR 79 Cb -0.08 -0.45 0.06 0.00 -0.40 0.00 0.00 41.96 41.09 3grw s TYR 79 CO 0.25 -0.07 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.93 3grw s LEU 80 N -1.74 3.10 -0.32 -1.29 2.96 -0.24 -2.36 118.68 118.79 3grw s LEU 80 Ca -0.07 -1.36 -0.20 0.00 -0.22 0.00 0.00 54.13 52.28 3grw s LEU 80 Cb -0.09 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3grw s LEU 80 CO 0.00 -0.23 0.64 -1.58 -1.32 0.00 0.00 176.35 173.86 3grw s GLN 81 N 1.24 3.84 -0.28 1.98 2.00 0.81 -0.81 119.66 128.44 3grw s GLN 81 Ca -0.05 0.24 -0.03 0.00 -2.00 0.00 0.00 55.36 53.51 3grw s GLN 81 Cb -0.19 -3.75 0.03 0.00 0.80 0.00 0.00 33.01 29.89 3grw s GLN 81 CO -0.06 -0.63 -0.00 -1.64 -0.50 0.00 0.00 175.29 172.46 3grw s MET 82 N 2.66 2.82 0.26 1.67 -1.94 0.11 -0.89 119.30 124.00 3grw s MET 82 Ca 0.25 -1.01 0.09 0.00 -1.71 0.00 0.00 55.69 53.32 3grw s MET 82 Cb -0.15 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 3grw s MET 82 CO 0.13 -0.47 0.01 -0.80 -0.01 0.00 0.00 175.02 173.88 3grw s ASN 82 N 1.37 4.61 -1.37 3.03 0.01 -0.33 -0.34 114.94 121.90 3grw s ASN 82 Ca -0.00 -0.62 -0.06 0.00 -0.71 0.00 0.00 52.86 51.47 3grw s ASN 82 Cb -0.17 -0.88 0.03 0.00 0.41 0.00 0.00 41.25 40.63 3grw s ASN 82 CO -0.01 0.00 0.93 -0.24 -1.51 0.00 0.00 177.10 176.26 3grw n SER 82 N -0.89 -3.42 -4.76 -1.22 2.88 -0.80 -4.69 113.62 100.71 3grw n SER 82 Ca -0.07 -0.73 -0.36 0.00 -1.33 0.00 0.00 58.87 56.38 3grw n SER 82 Cb 0.59 -4.34 0.02 0.00 -0.75 0.00 0.00 64.21 59.73 3grw n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3grw s LEU 82 N -6.94 3.81 0.17 2.46 1.43 -0.81 -4.67 118.68 114.13 3grw s LEU 82 Ca 0.32 2.38 0.09 0.00 -1.03 0.00 0.00 54.13 55.90 3grw s LEU 82 Cb -0.16 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 3grw s LEU 82 CO 0.79 -1.32 -0.19 -0.13 0.23 0.00 0.00 176.35 175.73 3grw s ARG 83 N -3.07 1.30 0.32 1.70 0.52 -1.26 -0.50 118.95 117.96 3grw s ARG 83 Ca 0.72 -1.42 0.10 0.00 -0.52 0.00 0.00 55.73 54.60 3grw s ARG 83 Cb -0.30 -1.38 0.94 0.00 0.52 0.00 0.00 34.95 34.73 3grw s ARG 83 CO 0.35 0.28 1.67 0.00 0.02 0.00 0.00 175.30 177.62 3grw h ALA 84 N 3.23 1.73 0.00 2.13 0.00 -1.98 -0.30 119.26 124.08 3grw h ALA 84 Ca -0.43 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3grw h ALA 84 Cb 1.21 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3grw h ALA 84 CO 0.51 -0.49 0.00 -0.85 0.00 0.00 0.00 179.25 178.42 3grw n GLU 85 N -5.08 0.25 0.00 0.00 0.00 -1.26 -1.67 120.64 112.88 3grw n GLU 85 Ca 0.28 0.10 0.16 0.00 0.00 0.00 0.00 57.16 57.70 3grw n GLU 85 Cb 0.86 -1.50 0.87 0.00 0.00 0.00 0.00 31.44 31.66 3grw n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3grw n ASP 86 N -1.32 0.18 -4.69 -1.84 8.00 -0.12 -4.87 116.55 111.89 3grw n ASP 86 Ca 0.09 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 3grw n ASP 86 Cb 0.17 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3grw n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3grw s THR 87 N -2.09 2.80 0.00 -3.53 2.01 -0.67 -4.87 115.64 109.30 3grw s THR 87 Ca 0.44 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.78 3grw s THR 87 Cb 0.22 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.51 3grw s THR 87 CO 0.38 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.32 3grw n ALA 88 N 5.35 0.00 -2.68 7.40 0.00 -0.52 -4.48 120.51 125.58 3grw n ALA 88 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 3grw n ALA 88 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 3grw n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3grw s VAL 89 N -2.00 4.80 -0.24 0.00 1.01 -0.30 -1.51 120.40 122.16 3grw s VAL 89 Ca 0.00 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 63.81 3grw s VAL 89 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3grw s VAL 89 CO 0.00 -0.01 0.12 -0.31 0.00 0.00 0.00 175.10 174.90 3grw s TYR 90 N 2.19 3.21 -0.04 5.22 1.51 0.27 -0.43 117.35 129.28 3grw s TYR 90 Ca 0.45 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.50 3grw s TYR 90 Cb -0.17 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3grw s TYR 90 CO 0.15 -0.09 -0.01 0.71 -1.11 0.00 0.00 175.55 175.20 3grw s TYR 91 N 1.25 3.08 0.10 2.71 1.51 0.68 -1.18 117.35 125.49 3grw s TYR 91 Ca 0.06 0.11 0.04 0.00 -1.01 0.00 0.00 57.07 56.27 3grw s TYR 91 Cb -0.14 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 3grw s TYR 91 CO 0.05 0.44 0.04 0.00 -1.11 0.00 0.00 175.55 174.98 3grw s ALA 93 N -1.39 -0.04 0.12 0.00 0.00 0.50 -1.34 121.76 119.61 3grw s ALA 93 Ca 0.28 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 3grw s ALA 93 Cb -0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 3grw s ALA 93 CO 0.20 -0.08 1.61 0.50 0.00 0.00 0.00 175.76 177.99 3grw s ARG 94 N 0.66 4.21 -0.13 0.00 3.00 0.11 -0.85 118.95 125.95 3grw s ARG 94 Ca -0.05 2.35 0.01 0.00 -1.00 0.00 0.00 55.73 57.04 3grw s ARG 94 Cb -0.08 -3.36 0.02 0.00 0.00 0.00 0.00 34.95 31.53 3grw s ARG 94 CO -0.02 -0.67 -0.16 0.99 0.00 0.00 0.00 175.30 175.44 3grw s THR 95 N 1.84 1.65 0.38 4.11 2.01 -0.64 -1.74 115.64 123.24 3grw s THR 95 Ca 0.72 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 62.09 3grw s THR 95 Cb -0.42 -1.51 -0.07 0.00 0.01 0.00 0.00 72.50 70.51 3grw s THR 95 CO 0.32 0.47 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.97 3grw s TYR 96 N 1.16 2.47 0.14 4.92 -0.85 -0.61 -0.05 117.35 124.53 3grw s TYR 96 Ca -0.02 -0.58 0.08 0.00 -0.52 0.00 0.00 57.07 56.04 3grw s TYR 96 Cb -0.14 -1.60 -0.04 0.00 0.38 0.00 0.00 41.96 40.56 3grw s TYR 96 CO -0.06 0.50 -0.13 0.20 -1.52 0.00 0.00 175.55 174.55 3grw s GLY 97 N -3.67 1.74 -0.33 5.49 0.00 -1.26 -0.64 107.32 108.65 3grw s GLY 97 Ca 0.34 -1.37 -0.09 0.00 0.00 0.00 0.00 44.72 43.60 3grw s GLY 97 CO 0.18 -1.37 0.15 -0.42 0.00 0.00 0.00 173.10 171.64 3grw s ILE 98 N -1.38 4.48 -0.18 0.90 1.01 0.29 -4.97 121.20 121.34 3grw s ILE 98 Ca 0.22 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 3grw s ILE 98 Cb -0.10 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3grw s ILE 98 CO 0.13 -0.02 0.29 -0.31 0.00 0.00 0.00 174.94 175.04 3grw s TYR 99 N 1.57 3.42 -0.30 3.97 1.51 -1.26 -3.30 117.35 122.96 3grw s TYR 99 Ca 0.03 0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 56.61 3grw s TYR 99 Cb -0.18 -2.37 0.17 0.00 -0.11 0.00 0.00 41.96 39.48 3grw s TYR 99 CO 0.06 0.16 0.60 0.34 -1.11 0.00 0.00 175.55 175.60 3grw s ASP 100 N 0.67 -1.26 0.58 2.29 -1.08 -1.26 -5.04 116.67 111.56 3grw s ASP 100 Ca 0.16 1.04 0.37 0.00 -0.52 0.00 0.00 52.55 53.59 3grw s ASP 100 Cb -0.13 2.16 1.68 0.00 -1.46 0.00 0.00 42.92 45.17 3grw s ASP 100 CO 0.05 -0.25 2.10 -0.07 0.52 0.00 0.00 175.17 177.51 3grw h LEU 100 N 8.01 0.00 -1.13 -1.34 3.38 -1.97 -3.13 115.31 119.14 3grw h LEU 100 Ca -0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3grw h LEU 100 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3grw h LEU 100 CO 0.22 0.01 -0.36 0.22 0.09 0.00 0.00 178.44 178.61 3grw h TYR 100 N 0.00 0.00 -2.87 1.13 3.20 -1.97 -3.45 116.97 113.01 3grw h TYR 100 Ca -0.00 0.00 -0.63 0.00 3.14 0.00 0.00 58.73 61.24 3grw h TYR 100 Cb 0.36 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 38.48 3grw h TYR 100 CO 0.00 0.36 -0.77 0.14 -1.64 0.00 0.00 178.16 176.26 3grw s VAL 100 N -3.82 2.71 -1.83 1.81 -7.23 -1.18 -5.04 120.40 105.82 3grw s VAL 100 Ca -0.01 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3grw s VAL 100 Cb 0.12 -2.35 0.23 0.00 0.56 0.00 0.00 36.38 34.94 3grw s VAL 100 CO 0.69 -0.19 1.15 0.47 -0.31 0.00 0.00 175.10 176.90 3grw n ASP 100 N -0.07 1.50 -4.35 4.85 8.00 -1.26 -4.87 116.55 120.35 3grw n ASP 100 Ca -0.10 -2.04 -0.20 0.00 0.71 0.00 0.00 54.79 53.15 3grw n ASP 100 Cb 0.57 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 41.34 3grw n ASP 100 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3grw s TYR 100 N -1.66 1.81 -0.29 1.24 -0.85 -1.26 -5.11 117.35 111.23 3grw s TYR 100 Ca 0.17 -0.50 -0.06 0.00 -0.52 0.00 0.00 57.07 56.16 3grw s TYR 100 Cb 0.09 -0.86 0.01 0.00 0.38 0.00 0.00 41.96 41.59 3grw s TYR 100 CO 0.10 0.38 0.06 0.99 -1.52 0.00 0.00 175.55 175.56 3grw s THR 100 N -2.52 3.75 0.07 -3.49 2.01 -1.26 -4.73 115.64 109.47 3grw s THR 100 Ca 0.20 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 3grw s THR 100 Cb -0.03 -2.95 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 3grw s THR 100 CO 0.07 0.08 1.35 -0.70 -0.69 0.00 0.00 174.62 174.74 3grw s GLU 100 N 1.46 4.33 -0.16 4.92 2.12 -1.21 -4.81 118.70 125.35 3grw s GLU 100 Ca 0.02 1.98 -0.11 0.00 0.36 0.00 0.00 54.97 57.22 3grw s GLU 100 Cb -0.17 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 3grw s GLU 100 CO 0.01 -0.44 0.20 0.71 -0.54 0.00 0.00 175.26 175.20 3grw s TYR 100 N 1.47 3.49 -0.15 5.30 1.51 -1.26 -0.55 117.35 127.16 3grw s TYR 100 Ca 0.63 0.49 0.02 0.00 -1.01 0.00 0.00 57.07 57.21 3grw s TYR 100 Cb -0.34 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.36 3grw s TYR 100 CO 0.29 0.40 -0.21 0.08 -1.11 0.00 0.00 175.55 175.01 3grw s VAL 100 N -0.03 1.99 -0.58 0.71 1.01 0.19 -4.98 120.40 118.72 3grw s VAL 100 Ca 0.13 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 3grw s VAL 100 Cb -0.12 -1.78 0.14 0.00 0.00 0.00 0.00 36.38 34.62 3grw s VAL 100 CO 0.02 0.53 0.54 -0.04 0.00 0.00 0.00 175.10 176.15 3grw s MET 100 N 0.98 3.06 -0.23 2.72 -1.94 -1.26 -1.57 119.30 121.07 3grw s MET 100 Ca -0.03 -1.79 0.04 0.00 -1.71 0.00 0.00 55.69 52.20 3grw s MET 100 Cb -0.15 -4.32 -0.19 0.00 2.01 0.00 0.00 34.83 32.18 3grw s MET 100 CO -0.05 -1.33 -0.10 -0.40 -0.01 0.00 0.00 175.02 173.13 3grw n ASP 101 N 5.12 1.60 -4.18 3.03 3.85 -0.71 -4.89 116.55 120.37 3grw n ASP 101 Ca -0.11 -0.07 -0.32 0.00 -0.71 0.00 0.00 54.79 53.58 3grw n ASP 101 Cb 0.41 -0.18 -0.17 0.00 -1.35 0.00 0.00 41.12 39.83 3grw n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3grw s TYR 102 N -2.52 2.61 0.11 2.11 1.51 -1.25 -5.01 117.35 114.91 3grw s TYR 102 Ca -0.29 -1.25 0.10 0.00 -1.01 0.00 0.00 57.07 54.63 3grw s TYR 102 Cb 0.08 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 3grw s TYR 102 CO 0.66 -0.56 -0.25 -1.58 -1.11 0.00 0.00 175.55 172.72 3grw s TRP 103 N 0.69 2.37 1.01 2.71 0.52 -1.26 -0.71 118.94 124.27 3grw s TRP 103 Ca -0.10 -0.36 -0.17 0.00 0.02 0.00 0.00 56.10 55.49 3grw s TRP 103 Cb -0.16 -1.30 0.24 0.00 -1.15 0.00 0.00 33.47 31.09 3grw s TRP 103 CO 0.01 0.31 1.18 0.41 0.02 0.00 0.00 176.95 178.88 3grw n GLY 104 N 1.07 -1.92 0.22 0.98 0.00 -0.45 -4.63 105.19 100.45 3grw n GLY 104 Ca -0.17 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.35 3grw n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3grw h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.46 115.11 111.35 3grw h GLN 105 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 3grw h GLN 105 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 3grw h GLN 105 CO 0.28 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.52 3grw n GLY 106 N 0.76 1.69 2.93 0.06 0.00 -1.26 -5.04 105.19 104.33 3grw n GLY 106 Ca 0.03 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 3grw n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3grw s THR 107 N -2.44 0.50 -0.21 2.61 -1.32 -0.33 -4.81 115.64 109.64 3grw s THR 107 Ca 0.00 -0.19 -0.22 0.00 -1.21 0.00 0.00 61.69 60.07 3grw s THR 107 Cb 0.00 -0.48 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 3grw s THR 107 CO 0.00 0.18 0.71 -0.22 -2.21 0.00 0.00 174.62 173.08 3grw s LEU 108 N 0.39 4.12 -0.21 9.08 0.20 -1.26 -0.57 118.68 130.43 3grw s LEU 108 Ca -0.05 0.92 -0.03 0.00 0.69 0.00 0.00 54.13 55.66 3grw s LEU 108 Cb -0.09 -3.01 -0.01 0.00 -0.43 0.00 0.00 46.19 42.65 3grw s LEU 108 CO -0.00 -0.37 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.95 3grw s VAL 109 N 2.27 3.29 -0.19 1.68 1.01 -0.57 -1.07 120.40 126.81 3grw s VAL 109 Ca 0.31 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3grw s VAL 109 Cb -0.16 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3grw s VAL 109 CO 0.10 0.44 -0.08 -0.89 0.00 0.00 0.00 175.10 174.66 3grw s THR 110 N 1.37 3.17 -0.34 3.92 2.01 -0.16 -1.43 115.64 124.18 3grw s THR 110 Ca 0.05 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 3grw s THR 110 Cb -0.14 -2.40 0.03 0.00 0.01 0.00 0.00 72.50 70.00 3grw s THR 110 CO -0.03 0.47 0.13 -0.69 -0.69 0.00 0.00 174.62 173.80 3grw s VAL 111 N 1.09 4.04 0.14 3.82 1.01 -1.26 -1.41 120.40 127.83 3grw s VAL 111 Ca 0.01 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 3grw s VAL 111 Cb -0.15 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.05 3grw s VAL 111 CO -0.02 -0.15 0.56 -0.55 0.00 0.00 0.00 175.10 174.95 3grw s SER 112 N 1.46 -0.51 0.11 3.32 0.15 -0.77 -4.30 113.70 113.16 3grw s SER 112 Ca 0.00 -0.01 0.26 0.00 0.70 0.00 0.00 55.95 56.90 3grw s SER 112 Cb -0.19 0.57 0.66 0.00 -1.71 0.00 0.00 66.02 65.34 3grw s SER 112 CO 0.04 -0.92 1.57 -1.20 1.20 0.00 0.00 173.24 173.94 3grw n SER 113 N -0.24 0.59 -4.77 5.45 7.64 -1.26 -3.90 113.62 117.13 3grw n SER 113 Ca -0.17 0.27 -0.41 0.00 1.01 0.00 0.00 58.87 59.57 3grw n SER 113 Cb 0.64 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 3grw n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3grw s ALA 114 N -3.09 3.59 0.54 -0.43 0.00 -1.26 -5.01 121.76 116.10 3grw s ALA 114 Ca 0.10 1.55 -0.16 0.00 0.00 0.00 0.00 51.96 53.45 3grw s ALA 114 Cb 0.15 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 3grw s ALA 114 CO 0.65 -1.01 1.00 -1.12 0.00 0.00 0.00 175.76 175.29 3grw s SER 115 N -0.07 6.41 0.31 0.00 0.01 -1.26 -5.01 113.70 114.09 3grw s SER 115 Ca 0.54 1.59 -0.29 0.00 1.31 0.00 0.00 55.95 59.10 3grw s SER 115 Cb -0.46 -2.51 -0.12 0.00 0.21 0.00 0.00 66.02 63.14 3grw s SER 115 CO 0.60 -0.74 1.37 0.41 0.41 0.00 0.00 173.24 175.30 3grw n THR 116 N -1.83 1.56 -3.67 1.44 -1.04 -1.26 -4.74 114.28 104.75 3grw n THR 116 Ca 0.07 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.05 61.61 3grw n THR 116 Cb 0.54 -1.61 -0.09 0.00 -1.82 0.00 0.00 70.33 67.35 3grw n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3grw s LYS 117 N -1.28 0.46 0.52 -2.82 2.20 0.78 -4.95 119.74 114.66 3grw s LYS 117 Ca 0.60 1.05 -0.19 0.00 -0.36 0.00 0.00 55.97 57.08 3grw s LYS 117 Cb -0.58 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 35.92 3grw s LYS 117 CO 0.57 -0.19 1.03 0.20 -0.36 0.00 0.00 175.35 176.60 3grw s GLY 118 N 2.03 2.34 0.53 5.54 0.00 -1.26 -1.10 107.32 115.40 3grw s GLY 118 Ca -0.07 0.49 -0.18 0.00 0.00 0.00 0.00 44.72 44.97 3grw s GLY 118 CO -0.15 0.80 1.02 2.56 0.00 0.00 0.00 173.10 177.33 3grw s PRO 119 N -3.57 3.73 0.38 2.90 0.04 -1.26 -4.59 135.00 132.63 3grw s PRO 119 Ca 0.65 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 3grw s PRO 119 Cb -0.15 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 3grw s PRO 119 CO 0.26 -0.47 0.96 -1.12 0.04 0.00 0.00 177.00 176.67 3grw s SER 120 N -2.62 7.09 -0.16 6.66 0.01 -0.34 -4.92 113.70 119.42 3grw s SER 120 Ca 0.63 1.80 -0.01 0.00 1.31 0.00 0.00 55.95 59.68 3grw s SER 120 Cb -0.13 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.58 3grw s SER 120 CO 0.28 -0.25 -0.03 -0.69 0.41 0.00 0.00 173.24 172.97 3grw s VAL 121 N -1.86 0.95 0.02 3.43 1.01 -1.26 -1.08 120.40 121.61 3grw s VAL 121 Ca 0.56 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3grw s VAL 121 Cb -0.15 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3grw s VAL 121 CO 0.20 0.08 -0.15 -0.36 0.00 0.00 0.00 175.10 174.86 3grw s PHE 122 N 1.70 2.64 0.35 5.22 0.08 0.25 -4.95 117.98 123.27 3grw s PHE 122 Ca 0.01 -0.20 -0.27 0.00 0.12 0.00 0.00 56.93 56.59 3grw s PHE 122 Cb -0.15 -1.51 -0.09 0.00 -0.57 0.00 0.00 43.02 40.69 3grw s PHE 122 CO -0.07 0.27 1.10 -1.25 -0.10 0.00 0.00 175.22 175.16 3grw s PRO 123 N -1.36 4.34 -0.70 0.24 0.04 -1.26 -0.01 135.00 136.29 3grw s PRO 123 Ca 0.15 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 3grw s PRO 123 Cb -0.11 -2.84 0.18 0.00 0.04 0.00 0.00 34.50 31.77 3grw s PRO 123 CO 0.05 -0.03 0.56 -0.51 0.04 0.00 0.00 177.00 177.12 3grw s LEU 124 N -2.11 5.80 0.25 -3.56 1.43 0.78 -4.79 118.68 116.48 3grw s LEU 124 Ca 0.52 -2.80 -0.30 0.00 -1.03 0.00 0.00 54.13 50.52 3grw s LEU 124 Cb -0.28 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 3grw s LEU 124 CO 0.36 -0.44 1.28 0.00 0.23 0.00 0.00 176.35 177.77 3grw s ALA 125 N 0.01 3.50 0.36 4.21 0.00 -1.26 -0.99 121.76 127.59 3grw s ALA 125 Ca 0.17 1.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 3grw s ALA 125 Cb -0.17 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 3grw s ALA 125 CO -0.05 -0.51 1.32 -1.25 0.00 0.00 0.00 175.76 175.26 3grw s PRO 126 N -0.80 4.19 0.15 0.00 0.04 -1.26 -4.90 135.00 132.43 3grw s PRO 126 Ca 0.53 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.78 3grw s PRO 126 Cb -0.37 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.23 3grw s PRO 126 CO 0.43 -0.33 0.21 -1.13 0.04 0.00 0.00 177.00 176.22 3grw n SER 127 N 0.52 -0.58 0.21 6.66 3.41 -1.26 -4.36 113.62 118.22 3grw n SER 127 Ca 0.01 -1.85 0.06 0.00 -0.26 0.00 0.00 58.87 56.83 3grw n SER 127 Cb 0.42 1.10 0.48 0.00 -0.26 0.00 0.00 64.21 65.95 3grw n SER 127 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3grw h SER 128 N 0.87 0.00 0.52 4.04 4.64 -1.94 -2.58 113.55 119.10 3grw h SER 128 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3grw h SER 128 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3grw h SER 128 CO 0.16 0.26 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 3grw n LYS 129 N -4.05 0.35 -0.77 4.77 4.76 -1.26 -3.14 118.16 118.83 3grw n LYS 129 Ca -0.02 0.04 0.06 0.00 -2.87 0.00 0.00 58.31 55.52 3grw n LYS 129 Cb 0.33 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.18 3grw n LYS 129 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3grw n SER 130 N -1.30 1.57 -3.91 4.39 3.41 -0.98 -5.04 113.62 111.75 3grw n SER 130 Ca 0.12 -3.45 -0.24 0.00 -0.26 0.00 0.00 58.87 55.04 3grw n SER 130 Cb 0.21 -0.47 -0.17 0.00 -0.26 0.00 0.00 64.21 63.52 3grw n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3grw s THR 131 N -2.50 0.83 -0.11 6.66 2.01 -1.14 -0.56 115.64 120.84 3grw s THR 131 Ca 0.36 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 3grw s THR 131 Cb 0.37 -0.84 0.04 0.00 0.01 0.00 0.00 72.50 72.07 3grw s THR 131 CO -0.09 0.31 0.27 -0.55 -0.69 0.00 0.00 174.62 173.87 3grw s SER 132 N 1.29 -0.29 0.94 3.53 0.15 -0.29 -4.96 113.70 114.07 3grw s SER 132 Ca -0.04 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.17 3grw s SER 132 Cb -0.14 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3grw s SER 132 CO -0.03 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3grw n GLY 133 N 3.59 2.79 2.01 9.45 0.00 -1.26 -1.85 105.19 119.93 3grw n GLY 133 Ca -0.19 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 3grw n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grw n GLY 134 N 0.00 3.98 3.18 -0.02 0.00 -1.26 -4.95 105.19 106.11 3grw n GLY 134 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 3grw n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3grw s THR 135 N -2.78 1.48 -0.04 2.61 2.01 -0.77 -0.74 115.64 117.42 3grw s THR 135 Ca 0.48 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.76 3grw s THR 135 Cb 0.40 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 3grw s THR 135 CO 0.10 0.42 -0.22 0.00 -0.69 0.00 0.00 174.62 174.24 3grw s ALA 136 N -0.31 1.85 -0.07 7.40 0.00 0.39 -1.13 121.76 129.89 3grw s ALA 136 Ca 0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 3grw s ALA 136 Cb -0.09 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3grw s ALA 136 CO 0.00 0.39 0.27 0.00 0.00 0.00 0.00 175.76 176.41 3grw s ALA 137 N -0.24 3.77 0.16 0.00 0.00 0.27 -0.84 121.76 124.89 3grw s ALA 137 Ca 0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 3grw s ALA 137 Cb -0.11 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 3grw s ALA 137 CO 0.02 0.50 0.25 -0.48 0.00 0.00 0.00 175.76 176.05 3grw s LEU 138 N -0.88 1.07 0.00 0.00 0.05 -0.58 -4.06 118.68 114.27 3grw s LEU 138 Ca 0.19 -0.92 0.00 0.00 0.05 0.00 0.00 54.13 53.45 3grw s LEU 138 Cb -0.14 1.07 0.00 0.00 -2.05 0.00 0.00 46.19 45.07 3grw s LEU 138 CO 0.08 -0.87 0.00 0.61 -0.55 0.00 0.00 176.35 175.62 3grw n GLY 139 N -0.20 1.46 2.88 -3.48 0.00 -0.16 -0.83 105.19 104.86 3grw n GLY 139 Ca -0.07 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 3grw n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grw s LEU 141 N 0.68 4.15 -0.48 0.00 2.96 0.98 -1.57 118.68 125.40 3grw s LEU 141 Ca -0.08 0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 3grw s LEU 141 Cb -0.11 -2.61 0.13 0.00 0.50 0.00 0.00 46.19 44.10 3grw s LEU 141 CO -0.01 -0.13 0.28 -0.69 -1.32 0.00 0.00 176.35 174.49 3grw s VAL 142 N 1.48 3.46 -0.05 1.68 1.01 0.68 -0.59 120.40 128.06 3grw s VAL 142 Ca 0.21 -2.33 0.05 0.00 0.00 0.00 0.00 61.98 59.92 3grw s VAL 142 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3grw s VAL 142 CO 0.09 -0.75 -0.21 -0.75 0.00 0.00 0.00 175.10 173.47 3grw s LYS 143 N 0.77 2.49 -0.56 2.72 2.20 -0.24 -0.86 119.74 126.26 3grw s LYS 143 Ca 0.11 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 54.86 3grw s LYS 143 Cb -0.22 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.84 3grw s LYS 143 CO -0.04 0.48 0.48 -0.25 -0.36 0.00 0.00 175.35 175.67 3grw n ASP 144 N 2.68 -3.57 -4.51 1.43 8.00 0.67 -1.19 116.55 120.05 3grw n ASP 144 Ca -0.17 -0.35 -0.25 0.00 0.71 0.00 0.00 54.79 54.73 3grw n ASP 144 Cb 0.52 -2.89 -0.10 0.00 -0.02 0.00 0.00 41.12 38.62 3grw n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3grw s TYR 145 N -3.19 2.36 -0.28 1.24 1.13 -0.72 -4.34 117.35 113.54 3grw s TYR 145 Ca 0.15 -0.43 -0.24 0.00 -1.41 0.00 0.00 57.07 55.15 3grw s TYR 145 Cb -0.02 -1.22 0.10 0.00 -1.10 0.00 0.00 41.96 39.73 3grw s TYR 145 CO 0.38 0.64 0.90 0.12 -2.51 0.00 0.00 175.55 175.08 3grw s PHE 146 N -2.56 -0.62 0.32 -3.49 2.19 -0.26 -1.09 117.98 112.47 3grw s PHE 146 Ca 0.31 1.47 -0.05 0.00 0.33 0.00 0.00 56.93 59.00 3grw s PHE 146 Cb -0.01 0.34 0.07 0.00 -1.31 0.00 0.00 43.02 42.12 3grw s PHE 146 CO 0.16 -0.30 0.44 -0.35 1.83 0.00 0.00 175.22 177.00 3grw n PRO 147 N 2.56 -0.30 -1.07 10.12 -0.04 -1.26 -0.15 135.00 144.86 3grw n PRO 147 Ca -0.14 -0.75 -0.32 0.00 -0.04 0.00 0.00 63.50 62.25 3grw n PRO 147 Cb 0.56 -0.43 0.12 0.00 -0.04 0.00 0.00 33.50 33.71 3grw n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3grw s GLU 148 N -3.88 1.68 0.34 0.54 0.41 -1.26 -4.75 118.70 111.78 3grw s GLU 148 Ca 0.25 1.50 0.07 0.00 -0.41 0.00 0.00 54.97 56.39 3grw s GLU 148 Cb -0.01 -1.81 -0.02 0.00 -1.78 0.00 0.00 34.13 30.52 3grw s GLU 148 CO 0.18 -2.13 0.39 -1.25 -0.49 0.00 0.00 175.26 171.96 3grw s PRO 149 N -4.50 2.92 0.04 0.39 0.04 -1.26 -4.94 135.00 127.69 3grw s PRO 149 Ca 0.67 -1.16 0.05 0.00 0.04 0.00 0.00 61.00 60.61 3grw s PRO 149 Cb -0.23 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 3grw s PRO 149 CO 0.53 0.06 -0.11 0.08 0.04 0.00 0.00 177.00 177.60 3grw s VAL 150 N -2.25 3.32 0.04 -0.36 1.01 -1.26 -4.34 120.40 116.56 3grw s VAL 150 Ca 0.44 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.48 3grw s VAL 150 Cb -0.08 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3grw s VAL 150 CO 0.29 0.31 -0.19 0.42 0.00 0.00 0.00 175.10 175.94 3grw s THR 151 N -1.02 2.73 -0.04 3.92 -4.23 -0.41 -5.01 115.64 111.58 3grw s THR 151 Ca 0.17 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 3grw s THR 151 Cb -0.11 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3grw s THR 151 CO 0.08 0.34 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.68 3grw s VAL 152 N -0.91 1.11 0.23 2.29 1.01 -1.26 -1.35 120.40 121.52 3grw s VAL 152 Ca 0.14 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3grw s VAL 152 Cb -0.10 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3grw s VAL 152 CO 0.05 0.33 -0.03 -0.94 0.00 0.00 0.00 175.10 174.51 3grw s SER 153 N 0.16 2.03 -0.07 3.32 1.04 0.01 -4.96 113.70 115.22 3grw s SER 153 Ca -0.04 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.24 3grw s SER 153 Cb -0.11 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3grw s SER 153 CO 0.01 -0.45 -0.20 0.26 0.98 0.00 0.00 173.24 173.85 3grw s TRP 154 N -3.32 2.09 -1.37 5.02 0.52 -1.26 0.37 118.94 121.00 3grw s TRP 154 Ca 0.27 -0.76 -0.11 0.00 0.02 0.00 0.00 56.10 55.52 3grw s TRP 154 Cb 0.05 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 3grw s TRP 154 CO 0.08 -0.30 0.41 0.09 0.02 0.00 0.00 176.95 177.25 3grw n ASN 155 N 3.43 -1.53 -2.37 2.95 3.02 0.26 -1.20 115.26 119.82 3grw n ASN 155 Ca -0.20 -1.15 -0.09 0.00 -0.03 0.00 0.00 54.58 53.11 3grw n ASN 155 Cb 0.52 -2.39 -0.01 0.00 -0.61 0.00 0.00 39.78 37.30 3grw n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3grw n SER 156 N -2.73 -3.14 0.00 6.41 7.64 -1.26 -1.07 113.62 119.46 3grw n SER 156 Ca -0.24 0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3grw n SER 156 Cb 0.65 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 61.12 3grw n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3grw n GLY 157 N -0.69 0.17 0.24 0.23 0.00 -0.34 -4.96 105.19 99.84 3grw n GLY 157 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3grw n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grw h ALA 158 N 0.00 0.76 -2.32 4.61 0.00 -1.03 -3.41 119.26 117.88 3grw h ALA 158 Ca 0.00 -0.45 -0.72 0.00 0.00 0.00 0.00 54.91 53.74 3grw h ALA 158 Cb 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 17.47 3grw h ALA 158 CO 0.00 0.66 -0.28 -1.17 0.00 0.00 0.00 179.25 178.46 3grw s LEU 159 N -8.61 5.32 0.00 0.00 2.96 -1.01 -4.86 118.68 112.47 3grw s LEU 159 Ca -0.08 -1.09 0.00 0.00 -0.22 0.00 0.00 54.13 52.73 3grw s LEU 159 Cb 0.12 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.56 3grw s LEU 159 CO 0.84 -0.64 0.00 0.35 -1.32 0.00 0.00 176.35 175.58 3grw n THR 160 N 5.29 0.00 -2.34 3.68 -2.24 -1.26 -4.23 114.28 113.18 3grw n THR 160 Ca -0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3grw n THR 160 Cb 0.45 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3grw n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3grw s SER 161 N -1.85 7.01 -0.68 3.42 0.15 -1.26 -3.29 113.70 117.18 3grw s SER 161 Ca 0.00 2.14 0.00 0.00 0.70 0.00 0.00 55.95 58.79 3grw s SER 161 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3grw s SER 161 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 3grw n GLY 162 N 3.12 0.85 3.72 9.45 0.00 -1.26 -4.72 105.19 116.34 3grw n GLY 162 Ca 0.09 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3grw n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3grw s VAL 163 N -2.11 5.08 -0.12 1.61 1.01 -1.21 -2.73 120.40 121.92 3grw s VAL 163 Ca 0.00 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.32 3grw s VAL 163 Cb 0.00 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3grw s VAL 163 CO 0.00 0.26 -0.09 -1.00 0.00 0.00 0.00 175.10 174.28 3grw s HIS 164 N 0.78 1.62 -0.25 5.22 3.76 0.33 -5.00 115.29 121.75 3grw s HIS 164 Ca 0.35 -0.83 -0.00 0.00 -0.15 0.00 0.00 55.06 54.42 3grw s HIS 164 Cb -0.17 -1.30 0.03 0.00 1.11 0.00 0.00 32.58 32.25 3grw s HIS 164 CO 0.16 -0.55 -0.08 0.99 -0.85 0.00 0.00 174.74 174.42 3grw s THR 165 N 1.67 2.67 0.47 1.30 2.01 -1.26 0.15 115.64 122.64 3grw s THR 165 Ca 0.05 -1.18 -0.20 0.00 0.31 0.00 0.00 61.69 60.67 3grw s THR 165 Cb -0.13 -2.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.90 3grw s THR 165 CO -0.09 0.15 1.00 -0.36 -0.69 0.00 0.00 174.62 174.64 3grw s PHE 166 N 1.27 3.14 0.63 4.92 0.40 -0.55 -5.01 117.98 122.78 3grw s PHE 166 Ca -0.02 1.59 -0.18 0.00 -0.60 0.00 0.00 56.93 57.72 3grw s PHE 166 Cb -0.17 -2.97 -0.02 0.00 0.51 0.00 0.00 43.02 40.36 3grw s PHE 166 CO -0.05 -0.53 1.18 -2.30 0.70 0.00 0.00 175.22 174.22 3grw n PRO 167 N -0.88 1.05 -2.07 0.24 -0.02 -1.26 -4.64 135.00 127.41 3grw n PRO 167 Ca 0.08 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 3grw n PRO 167 Cb 0.53 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3grw n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3grw s ALA 168 N -1.43 2.98 0.12 3.55 0.00 -1.26 -4.80 121.76 120.92 3grw s ALA 168 Ca 0.80 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.96 3grw s ALA 168 Cb -0.39 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 3grw s ALA 168 CO 0.43 -0.91 -0.14 0.14 0.00 0.00 0.00 175.76 175.27 3grw s VAL 169 N -1.42 3.11 -0.19 0.00 -7.23 -0.58 -4.97 120.40 109.13 3grw s VAL 169 Ca 0.65 -1.41 -0.24 0.00 -1.81 0.00 0.00 61.98 59.17 3grw s VAL 169 Cb -0.34 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3grw s VAL 169 CO 0.41 0.09 0.78 -0.22 -0.31 0.00 0.00 175.10 175.85 3grw s LEU 170 N -2.22 4.15 0.72 1.32 0.20 -1.26 -1.79 118.68 119.80 3grw s LEU 170 Ca 0.20 1.06 -0.09 0.00 0.69 0.00 0.00 54.13 55.99 3grw s LEU 170 Cb -0.11 -3.14 0.06 0.00 -0.43 0.00 0.00 46.19 42.57 3grw s LEU 170 CO 0.12 -0.39 1.06 -1.10 -0.29 0.00 0.00 176.35 175.75 3grw s GLN 171 N 2.24 2.26 0.59 1.98 -0.21 0.08 -4.94 119.66 121.66 3grw s GLN 171 Ca 0.35 -0.05 0.30 0.00 0.02 0.00 0.00 55.36 55.98 3grw s GLN 171 Cb -0.16 -2.10 1.81 0.00 1.00 0.00 0.00 33.01 33.56 3grw s GLN 171 CO 0.11 -1.27 2.24 0.66 -2.12 0.00 0.00 175.29 174.90 3grw h SER 172 N -0.70 0.00 0.64 5.90 4.64 -1.97 -1.24 113.55 120.82 3grw h SER 172 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3grw h SER 172 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3grw h SER 172 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 3grw n SER 173 N -3.84 0.54 0.00 4.97 3.41 -1.26 -4.89 113.62 112.56 3grw n SER 173 Ca -0.02 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3grw n SER 173 Cb 0.11 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 3grw n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3grw n GLY 174 N -0.10 0.77 3.85 5.00 0.00 -0.47 -5.06 105.19 109.19 3grw n GLY 174 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3grw n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3grw s LEU 175 N 0.00 4.02 0.36 0.99 1.02 -1.26 -4.85 118.68 118.96 3grw s LEU 175 Ca 0.00 0.01 -0.13 0.00 0.02 0.00 0.00 54.13 54.02 3grw s LEU 175 Cb 0.00 -2.62 -0.08 0.00 0.02 0.00 0.00 46.19 43.51 3grw s LEU 175 CO 0.00 0.08 0.75 -0.31 0.02 0.00 0.00 176.35 176.89 3grw s TYR 176 N -1.70 3.41 -0.08 0.29 2.02 -0.25 -0.74 117.35 120.30 3grw s TYR 176 Ca 0.32 1.15 -0.08 0.00 -0.37 0.00 0.00 57.07 58.09 3grw s TYR 176 Cb -0.11 -2.50 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 3grw s TYR 176 CO 0.25 0.00 0.23 0.45 -1.57 0.00 0.00 175.55 174.91 3grw s SER 177 N -2.65 -0.23 0.11 2.29 0.15 -0.74 -0.24 113.70 112.40 3grw s SER 177 Ca 0.53 0.43 -0.05 0.00 0.70 0.00 0.00 55.95 57.56 3grw s SER 177 Cb -0.10 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.64 3grw s SER 177 CO 0.23 -0.10 0.13 -1.48 1.20 0.00 0.00 173.24 173.22 3grw s LEU 178 N 0.01 1.63 0.13 3.45 0.05 -0.04 -1.52 118.68 122.39 3grw s LEU 178 Ca -0.01 -0.94 0.09 0.00 0.05 0.00 0.00 54.13 53.32 3grw s LEU 178 Cb -0.02 0.69 -0.04 0.00 -2.05 0.00 0.00 46.19 44.76 3grw s LEU 178 CO 0.00 -0.74 -0.18 -0.44 -0.55 0.00 0.00 176.35 174.44 3grw s SER 179 N -2.95 3.89 -0.09 1.48 0.01 -1.26 -0.23 113.70 114.55 3grw s SER 179 Ca 0.14 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.86 3grw s SER 179 Cb 0.06 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.75 3grw s SER 179 CO -0.04 0.17 -0.21 -0.55 0.41 0.00 0.00 173.24 173.02 3grw s SER 180 N -2.22 2.72 0.25 2.44 0.15 -0.61 -1.48 113.70 114.95 3grw s SER 180 Ca 0.19 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.41 3grw s SER 180 Cb -0.10 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.96 3grw s SER 180 CO 0.10 0.13 -0.06 0.68 1.20 0.00 0.00 173.24 175.30 3grw s VAL 181 N 0.38 1.47 -0.19 4.45 -7.23 0.12 -1.00 120.40 118.41 3grw s VAL 181 Ca -0.16 -2.11 -0.15 0.00 -1.81 0.00 0.00 61.98 57.74 3grw s VAL 181 Cb -0.17 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.48 3grw s VAL 181 CO 0.07 -0.37 0.48 0.54 -0.31 0.00 0.00 175.10 175.52 3grw s VAL 182 N -3.13 -0.00 -0.14 1.32 0.11 -0.01 -0.51 120.40 118.04 3grw s VAL 182 Ca 0.28 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.29 3grw s VAL 182 Cb 0.04 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 3grw s VAL 182 CO 0.10 0.01 0.05 0.42 -3.33 0.00 0.00 175.10 172.35 3grw s THR 183 N 0.55 4.71 0.07 5.04 -4.23 -1.11 -1.53 115.64 119.15 3grw s THR 183 Ca -0.02 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 3grw s THR 183 Cb -0.04 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 3grw s THR 183 CO -0.03 0.54 -0.05 0.68 -0.54 0.00 0.00 174.62 175.22 3grw s VAL 184 N -0.32 0.45 0.19 2.29 -7.23 -0.02 -4.76 120.40 110.99 3grw s VAL 184 Ca 0.08 -1.80 -0.33 0.00 -1.81 0.00 0.00 61.98 58.12 3grw s VAL 184 Cb -0.12 -1.51 -0.13 0.00 0.56 0.00 0.00 36.38 35.18 3grw s VAL 184 CO 0.02 -0.90 1.66 -2.65 -0.31 0.00 0.00 175.10 172.92 3grw n PRO 185 N 0.15 2.52 0.16 4.82 -0.02 -1.26 -0.46 135.00 140.91 3grw n PRO 185 Ca -0.14 0.91 0.13 0.00 -2.02 0.00 0.00 63.50 62.38 3grw n PRO 185 Cb 0.60 -2.72 0.54 0.00 -0.02 0.00 0.00 33.50 31.90 3grw n PRO 185 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3grw h SER 186 N 6.38 0.00 1.07 2.55 4.64 -1.23 -1.26 113.55 125.71 3grw h SER 186 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 3grw h SER 186 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3grw h SER 186 CO 0.93 0.00 -0.16 0.77 -0.87 0.00 0.00 176.83 177.50 3grw h SER 187 N 0.00 0.00 0.89 4.97 4.64 -1.89 -3.15 113.55 119.02 3grw h SER 187 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3grw h SER 187 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3grw h SER 187 CO 0.00 0.16 -0.38 0.77 -0.87 0.00 0.00 176.83 176.51 3grw h SER 188 N 0.00 0.00 -2.59 4.97 4.64 -1.59 -3.42 113.55 115.56 3grw h SER 188 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3grw h SER 188 Cb 0.74 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.86 3grw h SER 188 CO 0.02 0.38 1.07 -0.76 -0.87 0.00 0.00 176.83 176.67 3grw s LEU 189 N -7.01 4.39 0.00 5.97 1.02 -1.19 -0.18 118.68 121.67 3grw s LEU 189 Ca 0.00 2.67 0.00 0.00 0.02 0.00 0.00 54.13 56.82 3grw s LEU 189 Cb 0.11 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.75 3grw s LEU 189 CO 0.69 -0.96 0.00 0.61 0.02 0.00 0.00 176.35 176.71 3grw n GLY 190 N 4.14 3.18 0.01 -3.19 0.00 -1.26 -4.80 105.19 103.27 3grw n GLY 190 Ca 0.17 -0.93 0.10 0.00 0.00 0.00 0.00 46.02 45.36 3grw n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3grw n THR 191 N 0.00 0.00 -5.20 2.61 -2.24 -0.91 -4.98 114.28 103.56 3grw n THR 191 Ca 0.00 -0.40 -0.32 0.00 -2.27 0.00 0.00 64.05 61.06 3grw n THR 191 Cb 0.00 0.18 -0.16 0.00 -2.10 0.00 0.00 70.33 68.25 3grw n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3grw s GLN 192 N -3.33 2.57 -0.00 -0.78 2.00 0.74 -5.11 119.66 115.75 3grw s GLN 192 Ca -0.05 -0.87 -0.16 0.00 -2.00 0.00 0.00 55.36 52.27 3grw s GLN 192 Cb 0.13 -2.20 -0.06 0.00 0.80 0.00 0.00 33.01 31.68 3grw s GLN 192 CO 0.84 0.40 0.45 0.99 -0.50 0.00 0.00 175.29 177.47 3grw s THR 193 N -0.21 4.99 -0.13 -0.34 2.01 -1.26 -4.72 115.64 115.98 3grw s THR 193 Ca -0.02 0.93 -0.00 0.00 0.31 0.00 0.00 61.69 62.91 3grw s THR 193 Cb -0.13 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.63 3grw s THR 193 CO 0.03 0.53 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.08 3grw s TYR 194 N -0.81 1.80 -0.06 4.92 2.02 -1.26 -4.95 117.35 119.00 3grw s TYR 194 Ca 0.25 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 3grw s TYR 194 Cb -0.17 -1.40 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 3grw s TYR 194 CO 0.14 -0.59 -0.05 0.42 -1.57 0.00 0.00 175.55 173.90 3grw s ILE 195 N 1.61 0.65 -0.13 2.71 1.01 -1.26 0.08 121.20 125.86 3grw s ILE 195 Ca 0.05 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 3grw s ILE 195 Cb -0.13 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3grw s ILE 195 CO -0.09 0.27 0.37 0.00 0.00 0.00 0.00 174.94 175.49 3grw s ASN 197 N 0.44 5.54 -0.20 0.00 -0.87 0.16 -1.75 114.94 118.26 3grw s ASN 197 Ca 0.21 -0.53 -0.02 0.00 -1.57 0.00 0.00 52.86 50.95 3grw s ASN 197 Cb -0.14 -2.00 0.00 0.00 -0.02 0.00 0.00 41.25 39.09 3grw s ASN 197 CO 0.07 -0.19 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.61 3grw s VAL 198 N 1.61 2.87 -0.16 1.60 1.01 0.78 -0.81 120.40 127.30 3grw s VAL 198 Ca 0.05 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3grw s VAL 198 Cb -0.17 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3grw s VAL 198 CO 0.06 0.47 -0.12 0.21 0.00 0.00 0.00 175.10 175.72 3grw s ASN 199 N 1.40 3.90 -0.51 3.32 3.04 -0.46 -0.66 114.94 124.97 3grw s ASN 199 Ca 0.05 -0.41 0.04 0.00 0.04 0.00 0.00 52.86 52.58 3grw s ASN 199 Cb -0.14 -1.62 0.13 0.00 -1.54 0.00 0.00 41.25 38.09 3grw s ASN 199 CO -0.07 0.09 0.25 -2.28 -3.04 0.00 0.00 177.10 172.05 3grw s HIS 200 N 0.82 3.08 0.16 0.43 5.65 0.20 -1.29 115.29 124.34 3grw s HIS 200 Ca -0.04 -3.10 -0.18 0.00 0.25 0.00 0.00 55.06 51.98 3grw s HIS 200 Cb -0.15 -2.73 0.08 0.00 -1.18 0.00 0.00 32.58 28.60 3grw s HIS 200 CO 0.00 -0.75 1.66 0.87 -0.65 0.00 0.00 174.74 175.87 3grw h LYS 201 N 6.54 -0.05 -1.07 2.88 6.56 -1.79 -1.60 116.57 128.04 3grw h LYS 201 Ca -0.07 0.00 0.30 0.00 -1.06 0.00 0.00 60.65 59.82 3grw h LYS 201 Cb 0.90 0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 32.45 3grw h LYS 201 CO 0.67 -0.04 0.66 -1.35 -2.06 0.00 0.00 179.45 177.33 3grw h PRO 202 N -0.06 0.36 -0.41 3.15 0.11 -1.91 0.19 132.00 133.44 3grw h PRO 202 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3grw h PRO 202 Cb 0.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3grw h PRO 202 CO -0.41 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 176.48 3grw n SER 203 N -4.78 3.31 -4.01 -2.05 3.41 -1.02 -4.97 113.62 103.51 3grw n SER 203 Ca 0.29 -1.94 -0.31 0.00 -0.26 0.00 0.00 58.87 56.65 3grw n SER 203 Cb 0.96 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3grw n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3grw n ASN 204 N 1.26 -3.42 -4.76 4.04 5.15 0.68 -4.91 115.26 113.29 3grw n ASN 204 Ca 0.18 -0.89 -0.35 0.00 -0.60 0.00 0.00 54.58 52.91 3grw n ASN 204 Cb 0.54 -3.39 -0.08 0.00 -0.53 0.00 0.00 39.78 36.33 3grw n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3grw s THR 205 N -3.41 5.38 -0.11 -0.44 2.01 -0.68 -5.00 115.64 113.39 3grw s THR 205 Ca 0.56 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 3grw s THR 205 Cb -0.29 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 68.84 3grw s THR 205 CO 0.87 0.49 0.05 -0.75 -0.69 0.00 0.00 174.62 174.59 3grw s LYS 206 N -0.03 0.26 -0.05 4.92 2.20 -1.26 -0.63 119.74 125.15 3grw s LYS 206 Ca 0.10 0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.78 3grw s LYS 206 Cb -0.11 -1.30 -0.00 0.00 -1.51 0.00 0.00 37.83 34.90 3grw s LYS 206 CO -0.00 -0.48 -0.19 0.08 -0.36 0.00 0.00 175.35 174.40 3grw s VAL 207 N 2.06 1.56 -0.11 4.02 1.01 0.16 -4.98 120.40 124.12 3grw s VAL 207 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3grw s VAL 207 Cb -0.14 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3grw s VAL 207 CO -0.06 0.45 -0.11 -1.81 0.00 0.00 0.00 175.10 173.56 3grw s ASP 208 N 0.07 4.23 -0.13 3.32 1.01 -1.26 -0.16 116.67 123.75 3grw s ASP 208 Ca -0.05 -0.22 -0.01 0.00 0.71 0.00 0.00 52.55 52.98 3grw s ASP 208 Cb -0.13 -1.39 0.03 0.00 1.01 0.00 0.00 42.92 42.45 3grw s ASP 208 CO 0.03 0.24 -0.05 -0.75 0.21 0.00 0.00 175.17 174.85 3grw s LYS 209 N -0.08 1.26 0.12 8.23 2.47 -0.72 -4.98 119.74 126.05 3grw s LYS 209 Ca -0.01 -0.29 -0.31 0.00 -1.56 0.00 0.00 55.97 53.80 3grw s LYS 209 Cb -0.14 -1.67 -0.07 0.00 -1.46 0.00 0.00 37.83 34.49 3grw s LYS 209 CO 0.03 -0.36 1.30 0.21 0.16 0.00 0.00 175.35 176.69 3grw s LYS 210 N 1.74 4.39 -0.21 4.03 2.20 -1.26 -1.08 119.74 129.55 3grw s LYS 210 Ca 0.03 1.96 -0.04 0.00 -0.36 0.00 0.00 55.97 57.56 3grw s LYS 210 Cb -0.14 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3grw s LYS 210 CO -0.07 -0.31 -0.05 0.08 -0.36 0.00 0.00 175.35 174.64 3grw s VAL 211 N 0.76 3.41 0.11 4.02 1.01 0.11 -4.91 120.40 124.91 3grw s VAL 211 Ca 0.60 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3grw s VAL 211 Cb -0.34 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3grw s VAL 211 CO 0.32 0.44 0.05 -1.83 0.00 0.00 0.00 175.10 174.08 3grw s GLU 212 N 1.27 0.84 0.63 2.72 -1.05 -1.26 -4.36 118.70 117.49 3grw s GLU 212 Ca 0.03 -1.33 -0.18 0.00 -0.15 0.00 0.00 54.97 53.34 3grw s GLU 212 Cb -0.14 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.77 3grw s GLU 212 CO -0.02 -0.22 1.23 -2.14 0.95 0.00 0.00 175.26 175.06 3grw s PRO 213 N -3.99 2.74 0.15 -4.83 0.02 -1.26 -4.47 135.00 123.36 3grw s PRO 213 Ca 0.17 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 62.80 3grw s PRO 213 Cb 0.07 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 3grw s PRO 213 CO -0.03 -1.40 0.86 0.15 -0.33 0.00 0.00 177.00 176.25 3grw s LYS 214 N -3.43 4.67 0.01 5.54 1.02 -1.26 -5.02 119.74 121.26 3grw s LYS 214 Ca 0.78 1.30 -0.10 0.00 0.02 0.00 0.00 55.97 57.97 3grw s LYS 214 Cb -0.32 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 3grw s LYS 214 CO 0.37 0.43 0.91 0.77 -0.92 0.00 0.00 175.35 176.90 3grw h SER 215 N 4.79 -0.30 0.00 2.83 0.02 -2.00 -3.52 113.55 115.37 3grw h SER 215 Ca -0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3grw h SER 215 Cb 1.21 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3grw h SER 215 CO 0.69 -0.18 0.00 0.00 -1.14 0.00 0.00 176.83 176.20