#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwt s GLN 3 N 0.00 1.06 -0.14 1.45 -2.07 -0.91 -4.95 119.66 114.10 3dwt s GLN 3 Ca 0.00 -0.62 -0.06 0.00 -1.82 0.00 0.00 55.36 52.87 3dwt s GLN 3 Cb 0.00 -1.05 -0.04 0.00 -1.09 0.00 0.00 33.01 30.83 3dwt s GLN 3 CO 0.00 0.28 0.06 -0.51 -1.32 0.00 0.00 175.29 173.80 3dwt s LEU 4 N -0.68 3.87 -0.12 2.60 1.43 -1.26 -0.46 118.68 124.06 3dwt s LEU 4 Ca 0.04 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 3dwt s LEU 4 Cb -0.06 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3dwt s LEU 4 CO 0.00 0.29 -0.19 -0.69 0.23 0.00 0.00 176.35 175.99 3dwt s VAL 5 N -0.32 1.79 0.53 -1.59 1.01 0.61 -4.39 120.40 118.03 3dwt s VAL 5 Ca 0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3dwt s VAL 5 Cb -0.12 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3dwt s VAL 5 CO 0.02 0.50 0.77 -1.61 0.00 0.00 0.00 175.10 174.77 3dwt s GLU 6 N 0.85 2.78 0.07 2.72 2.02 -1.26 0.48 118.70 126.37 3dwt s GLU 6 Ca -0.08 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3dwt s GLU 6 Cb -0.15 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 3dwt s GLU 6 CO -0.01 -0.57 0.09 0.43 0.02 0.00 0.00 175.26 175.23 3dwt n SER 7 N -2.31 -0.25 -0.92 -0.19 7.64 0.75 -4.93 113.62 113.41 3dwt n SER 7 Ca 0.05 -1.42 0.03 0.00 1.01 0.00 0.00 58.87 58.53 3dwt n SER 7 Cb 0.59 0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 64.27 3dwt n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dwt n GLY 8 N -0.13 -0.92 0.00 0.23 0.00 -1.26 -3.37 105.19 99.74 3dwt n GLY 8 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3dwt n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 9 N -0.62 1.54 0.00 -0.02 0.00 -1.26 -4.91 105.19 99.92 3dwt n GLY 9 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3dwt n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 10 N 0.17 0.87 3.52 -0.02 0.00 -0.77 -5.00 105.19 103.95 3dwt n GLY 10 Ca 0.00 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 3dwt n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwt s SER 11 N -2.43 4.79 0.19 1.61 1.04 -1.26 -1.25 113.70 116.38 3dwt s SER 11 Ca 0.00 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.36 3dwt s SER 11 Cb 0.00 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.38 3dwt s SER 11 CO 0.00 0.20 -0.05 0.54 0.98 0.00 0.00 173.24 174.91 3dwt s VAL 12 N 0.16 1.06 0.17 5.02 0.11 0.16 -4.94 120.40 122.14 3dwt s VAL 12 Ca -0.02 -2.04 -0.13 0.00 -2.93 0.00 0.00 61.98 56.86 3dwt s VAL 12 Cb -0.14 -2.09 -0.07 0.00 -1.53 0.00 0.00 36.38 32.55 3dwt s VAL 12 CO 0.03 -0.53 0.56 -1.58 -3.33 0.00 0.00 175.10 170.24 3dwt s GLN 13 N -3.81 3.94 0.18 1.54 0.74 -1.26 -1.94 119.66 119.05 3dwt s GLN 13 Ca 0.23 0.45 -0.31 0.00 0.05 0.00 0.00 55.36 55.77 3dwt s GLN 13 Cb 0.04 -2.84 -0.16 0.00 1.10 0.00 0.00 33.01 31.15 3dwt s GLN 13 CO 0.04 0.42 0.88 0.00 -0.55 0.00 0.00 175.29 176.09 3dwt n ALA 14 N 0.52 -1.84 -0.55 1.58 0.00 0.20 -1.02 120.51 119.41 3dwt n ALA 14 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3dwt n ALA 14 Cb 0.52 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3dwt n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwt n GLY 15 N 1.77 1.16 3.87 0.00 0.00 -0.08 -4.83 105.19 107.08 3dwt n GLY 15 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3dwt n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 16 N -2.00 0.24 3.86 -0.02 0.00 -0.19 -4.65 105.19 102.43 3dwt n GLY 16 Ca 0.00 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 3dwt n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dwt s SER 17 N -5.21 4.44 0.00 1.61 0.15 -1.25 -2.31 113.70 111.13 3dwt s SER 17 Ca 0.68 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.88 3dwt s SER 17 Cb -0.03 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3dwt s SER 17 CO 0.45 -1.07 0.00 -0.11 1.20 0.00 0.00 173.24 173.72 3dwt n LEU 18 N -1.61 0.00 -4.08 3.45 0.00 -0.96 -4.93 117.00 108.87 3dwt n LEU 18 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.58 3dwt n LEU 18 Cb 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.94 3dwt n LEU 18 CO 0.38 0.00 -0.24 -0.60 0.00 0.00 0.00 177.39 176.92 3dwt s ARG 19 N -0.14 1.78 0.38 1.96 3.52 -1.26 -1.93 118.95 123.27 3dwt s ARG 19 Ca 0.00 -1.83 -0.25 0.00 -0.13 0.00 0.00 55.73 53.52 3dwt s ARG 19 Cb 0.00 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 3dwt s ARG 19 CO 0.00 -1.00 1.05 -0.51 -0.81 0.00 0.00 175.30 174.02 3dwt s LEU 20 N 1.04 4.21 0.05 -0.88 1.43 -0.71 -4.40 118.68 119.42 3dwt s LEU 20 Ca 0.09 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 3dwt s LEU 20 Cb -0.21 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 3dwt s LEU 20 CO -0.06 -0.41 -0.10 -0.55 0.23 0.00 0.00 176.35 175.46 3dwt s SER 21 N -1.48 1.12 -0.07 2.29 0.15 -1.22 -1.77 113.70 112.72 3dwt s SER 21 Ca 0.55 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 3dwt s SER 21 Cb -0.23 -0.00 0.04 0.00 -1.71 0.00 0.00 66.02 64.12 3dwt s SER 21 CO 0.29 -0.14 0.16 0.00 1.20 0.00 0.00 173.24 174.75 3dwt s THR 23 N 1.24 1.82 -0.18 0.00 2.01 0.18 -0.77 115.64 119.94 3dwt s THR 23 Ca -0.09 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 60.81 3dwt s THR 23 Cb -0.11 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3dwt s THR 23 CO -0.06 0.51 0.72 0.00 -0.69 0.00 0.00 174.62 175.09 3dwt s ALA 24 N 0.45 3.52 0.46 7.40 0.00 -0.87 -0.28 121.76 132.44 3dwt s ALA 24 Ca -0.17 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3dwt s ALA 24 Cb -0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3dwt s ALA 24 CO 0.07 -0.56 0.01 0.45 0.00 0.00 0.00 175.76 175.73 3dwt s SER 25 N 1.15 3.93 0.00 0.00 0.15 0.39 -4.91 113.70 114.41 3dwt s SER 25 Ca 0.33 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.46 3dwt s SER 25 Cb -0.16 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 3dwt s SER 25 CO 0.12 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.49 3dwt n GLY 26 N -1.11 0.00 0.00 9.45 0.00 -1.26 -2.15 105.19 110.12 3dwt n GLY 26 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3dwt n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 27 N 2.09 1.96 0.00 -0.02 0.00 -1.26 -1.88 105.19 106.08 3dwt n GLY 27 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3dwt n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dwt n SER 28 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.05 113.62 112.33 3dwt n SER 28 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3dwt n SER 28 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3dwt n SER 28 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3dwt n SER 31 N 0.00 0.00 -0.13 4.04 2.88 0.00 -5.23 113.62 115.18 3dwt n SER 31 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 3dwt n SER 31 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3dwt n SER 31 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3dwt h TYR 32 N 0.00 0.92 0.00 0.66 3.20 -1.98 -2.84 116.97 116.93 3dwt h TYR 32 Ca 0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3dwt h TYR 32 Cb 0.00 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3dwt h TYR 32 CO 0.00 0.96 0.10 -1.13 -1.64 0.00 0.00 178.16 176.44 3dwt n SER 33 N -4.28 0.00 -0.01 -2.11 3.41 -1.26 -0.56 113.62 108.80 3dwt n SER 33 Ca -0.01 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.04 3dwt n SER 33 Cb 0.40 -0.32 0.35 0.00 -0.26 0.00 0.00 64.21 64.38 3dwt n SER 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dwt n THR 34 N -1.30 0.00 -4.06 6.66 -1.04 -1.07 -3.98 114.28 109.50 3dwt n THR 34 Ca 0.00 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3dwt n THR 34 Cb 0.10 0.06 -0.07 0.00 -1.82 0.00 0.00 70.33 68.60 3dwt n THR 34 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3dwt s PHE 35 N -2.98 3.20 -0.14 -1.42 0.40 0.27 -2.59 117.98 114.74 3dwt s PHE 35 Ca 0.12 0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.52 3dwt s PHE 35 Cb 0.18 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 3dwt s PHE 35 CO 0.65 0.52 -0.03 -1.12 0.70 0.00 0.00 175.22 175.94 3dwt s SER 36 N -2.31 4.87 0.25 1.36 0.01 -0.44 -3.87 113.70 113.57 3dwt s SER 36 Ca 0.29 -0.07 0.09 0.00 1.31 0.00 0.00 55.95 57.57 3dwt s SER 36 Cb -0.12 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 3dwt s SER 36 CO 0.21 0.22 -0.03 -0.76 0.41 0.00 0.00 173.24 173.29 3dwt s LEU 37 N 0.07 3.14 -0.28 2.44 1.43 -0.24 -1.95 118.68 123.29 3dwt s LEU 37 Ca 0.00 -0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 52.24 3dwt s LEU 37 Cb -0.13 -1.70 0.11 0.00 0.03 0.00 0.00 46.19 44.50 3dwt s LEU 37 CO 0.03 0.03 0.95 -0.83 0.23 0.00 0.00 176.35 176.75 3dwt s GLY 38 N -3.48 -0.22 -0.09 -3.19 0.00 -0.93 0.31 107.32 99.72 3dwt s GLY 38 Ca 0.30 2.63 -0.17 0.00 0.00 0.00 0.00 44.72 47.49 3dwt s GLY 38 CO 0.19 1.98 0.43 -0.98 0.00 0.00 0.00 173.10 174.72 3dwt s TRP 39 N 0.53 3.57 0.43 1.90 0.52 0.16 -2.21 118.94 123.84 3dwt s TRP 39 Ca -0.00 0.88 0.06 0.00 0.02 0.00 0.00 56.10 57.06 3dwt s TRP 39 Cb -0.05 -2.45 -0.06 0.00 -1.15 0.00 0.00 33.47 29.76 3dwt s TRP 39 CO -0.07 0.32 0.04 -0.06 0.02 0.00 0.00 176.95 177.19 3dwt s PHE 40 N 0.10 2.40 0.18 -1.98 0.40 -0.09 -0.75 117.98 118.25 3dwt s PHE 40 Ca 0.24 -0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 3dwt s PHE 40 Cb -0.15 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.60 3dwt s PHE 40 CO 0.10 0.36 0.36 -0.98 0.70 0.00 0.00 175.22 175.76 3dwt s ARG 41 N -3.78 1.24 -0.26 0.44 1.70 -0.82 -0.85 118.95 116.63 3dwt s ARG 41 Ca 0.31 -1.11 -0.06 0.00 -0.47 0.00 0.00 55.73 54.40 3dwt s ARG 41 Cb 0.07 0.42 0.13 0.00 -0.57 0.00 0.00 34.95 35.00 3dwt s ARG 41 CO 0.16 -0.48 0.52 -1.14 -1.08 0.00 0.00 175.30 173.28 3dwt s GLN 42 N -3.95 0.45 0.53 3.89 0.74 -0.72 -1.82 119.66 118.78 3dwt s GLN 42 Ca 0.16 1.09 -0.01 0.00 0.05 0.00 0.00 55.36 56.64 3dwt s GLN 42 Cb 0.02 0.42 0.02 0.00 1.10 0.00 0.00 33.01 34.56 3dwt s GLN 42 CO 0.00 -0.36 0.79 0.00 -0.55 0.00 0.00 175.29 175.16 3dwt s ALA 43 N 2.74 3.63 -0.06 1.58 0.00 -1.26 -2.19 121.76 126.21 3dwt s ALA 43 Ca 0.03 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 3dwt s ALA 43 Cb -0.13 -2.27 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 3dwt s ALA 43 CO -0.17 -0.67 1.79 -2.14 0.00 0.00 0.00 175.76 174.58 3dwt s PRO 44 N -4.78 4.04 0.00 0.00 0.02 -1.26 -3.23 135.00 129.80 3dwt s PRO 44 Ca 0.53 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3dwt s PRO 44 Cb -0.10 -4.08 0.00 0.00 0.02 0.00 0.00 34.50 30.34 3dwt s PRO 44 CO 0.40 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3dwt n GLY 45 N 4.45 2.79 3.71 0.52 0.00 -1.26 -5.04 105.19 110.35 3dwt n GLY 45 Ca 0.19 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3dwt n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwt s GLN 46 N 0.00 1.27 0.94 1.61 -0.21 -1.20 -5.04 119.66 117.02 3dwt s GLN 46 Ca 0.00 0.93 -0.13 0.00 0.02 0.00 0.00 55.36 56.18 3dwt s GLN 46 Cb 0.00 -1.80 0.21 0.00 1.00 0.00 0.00 33.01 32.42 3dwt s GLN 46 CO 0.00 -2.27 1.29 -1.21 -2.12 0.00 0.00 175.29 170.98 3dwt s GLU 47 N -4.88 0.62 -0.18 2.91 2.02 -1.26 -4.48 118.70 113.45 3dwt s GLU 47 Ca 0.64 -0.66 -0.24 0.00 0.02 0.00 0.00 54.97 54.73 3dwt s GLU 47 Cb -0.19 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 3dwt s GLU 47 CO 0.57 -2.37 0.75 0.50 0.02 0.00 0.00 175.26 174.74 3dwt s ARG 48 N -5.80 4.27 0.39 1.61 3.52 -1.26 -4.48 118.95 117.20 3dwt s ARG 48 Ca 0.75 0.86 0.08 0.00 -0.13 0.00 0.00 55.73 57.29 3dwt s ARG 48 Cb -0.03 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 3dwt s ARG 48 CO 0.52 -0.28 0.26 -1.83 -0.81 0.00 0.00 175.30 173.16 3dwt s GLU 49 N 2.02 2.43 0.12 5.12 -1.05 -0.75 -4.87 118.70 121.72 3dwt s GLU 49 Ca 0.35 -1.60 -0.06 0.00 -0.15 0.00 0.00 54.97 53.50 3dwt s GLU 49 Cb -0.16 -2.23 -0.06 0.00 -0.44 0.00 0.00 34.13 31.24 3dwt s GLU 49 CO 0.12 -0.08 0.37 0.00 0.95 0.00 0.00 175.26 176.62 3dwt s ALA 50 N -2.48 3.78 -0.04 -0.84 0.00 -1.26 -1.95 121.76 118.98 3dwt s ALA 50 Ca 0.43 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3dwt s ALA 50 Cb -0.01 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 3dwt s ALA 50 CO 0.25 0.65 -0.03 0.28 0.00 0.00 0.00 175.76 176.91 3dwt n VAL 51 N 0.36 0.21 -3.59 0.00 0.31 0.08 -4.59 118.33 111.10 3dwt n VAL 51 Ca -0.04 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 3dwt n VAL 51 Cb 0.52 -0.67 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 3dwt n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dwt s ALA 52 N -2.07 -1.96 0.09 3.52 0.00 -0.89 -1.75 121.76 118.70 3dwt s ALA 52 Ca -0.05 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.57 3dwt s ALA 52 Cb 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3dwt s ALA 52 CO 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 175.76 175.52 3dwt s ALA 53 N -0.94 0.86 -0.08 0.00 0.00 -0.03 0.36 121.76 121.94 3dwt s ALA 53 Ca -0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 3dwt s ALA 53 Cb -0.01 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.45 3dwt s ALA 53 CO -0.00 -0.31 0.16 -1.50 0.00 0.00 0.00 175.76 174.11 3dwt s ILE 54 N -3.76 -0.21 0.63 0.00 2.07 0.15 -1.40 121.20 118.68 3dwt s ILE 54 Ca 0.13 0.31 -0.09 0.00 -1.41 0.00 0.00 60.65 59.59 3dwt s ILE 54 Cb 0.06 -0.28 -0.00 0.00 0.13 0.00 0.00 42.46 42.37 3dwt s ILE 54 CO -0.05 0.13 0.99 0.00 -1.91 0.00 0.00 174.94 174.11 3dwt s ALA 55 N 2.01 3.11 1.04 1.50 0.00 -0.00 -1.08 121.76 128.34 3dwt s ALA 55 Ca -0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 3dwt s ALA 55 Cb -0.12 -2.86 0.21 0.00 0.00 0.00 0.00 23.12 20.36 3dwt s ALA 55 CO -0.06 -0.89 1.16 -1.13 0.00 0.00 0.00 175.76 174.84 3dwt n SER 56 N -2.76 -0.25 -2.60 0.00 3.41 -1.25 -2.85 113.62 107.31 3dwt n SER 56 Ca 0.05 -1.37 -0.21 0.00 -0.26 0.00 0.00 58.87 57.08 3dwt n SER 56 Cb 0.57 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3dwt n SER 56 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3dwt n MET 57 N -3.68 -2.74 0.00 4.33 2.81 -1.26 -4.02 117.12 112.56 3dwt n MET 57 Ca 0.15 0.98 0.00 0.00 -1.81 0.00 0.00 57.70 57.02 3dwt n MET 57 Cb 0.52 -5.71 0.00 0.00 -0.71 0.00 0.00 33.22 27.32 3dwt n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dwt n GLY 58 N -1.18 3.02 0.00 3.03 0.00 -1.26 -4.94 105.19 103.85 3dwt n GLY 58 Ca -0.20 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3dwt n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwt n GLY 59 N 0.00 1.87 3.69 -0.02 0.00 -1.13 -5.05 105.19 104.54 3dwt n GLY 59 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dwt n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwt s LEU 60 N 0.00 4.37 -0.05 0.99 1.43 -1.26 -4.71 118.68 119.45 3dwt s LEU 60 Ca 0.00 2.56 0.01 0.00 -1.03 0.00 0.00 54.13 55.67 3dwt s LEU 60 Cb 0.00 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3dwt s LEU 60 CO 0.00 -0.91 -0.03 0.42 0.23 0.00 0.00 176.35 176.06 3dwt s THR 61 N 2.49 3.96 -0.02 5.49 -4.23 -1.26 -0.82 115.64 121.25 3dwt s THR 61 Ca 0.75 -0.48 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 3dwt s THR 61 Cb -0.42 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 3dwt s THR 61 CO 0.33 0.53 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.49 3dwt s TYR 62 N -0.91 1.26 0.10 3.99 1.51 -0.49 -4.98 117.35 117.82 3dwt s TYR 62 Ca 0.15 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 56.01 3dwt s TYR 62 Cb -0.11 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3dwt s TYR 62 CO 0.04 -0.05 -0.18 0.71 -1.11 0.00 0.00 175.55 174.96 3dwt s TYR 63 N -0.19 1.57 0.64 2.71 2.02 -1.26 -0.85 117.35 121.98 3dwt s TYR 63 Ca 0.03 -0.45 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 3dwt s TYR 63 Cb -0.07 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 3dwt s TYR 63 CO -0.00 0.16 1.10 0.00 -1.57 0.00 0.00 175.55 175.25 3dwt s ALA 64 N -1.36 2.53 0.10 3.71 0.00 -0.72 -4.85 121.76 121.18 3dwt s ALA 64 Ca 0.05 0.55 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 3dwt s ALA 64 Cb -0.09 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3dwt s ALA 64 CO 0.04 -1.16 1.68 -0.44 0.00 0.00 0.00 175.76 175.88 3dwt h ASP 65 N 0.20 -0.37 0.00 0.00 3.32 -1.93 -2.47 116.42 115.17 3dwt h ASP 65 Ca -0.47 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3dwt h ASP 65 Cb 1.24 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3dwt h ASP 65 CO 0.55 -0.20 0.34 0.77 -1.72 0.00 0.00 179.24 178.98 3dwt h SER 66 N -0.27 0.00 -0.00 6.45 4.64 -1.97 -2.24 113.55 120.16 3dwt h SER 66 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3dwt h SER 66 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3dwt h SER 66 CO -0.07 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.22 3dwt n VAL 67 N -2.65 0.18 -2.06 0.95 0.24 -1.00 -5.01 118.33 108.98 3dwt n VAL 67 Ca -0.02 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.34 61.29 3dwt n VAL 67 Cb 0.38 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 3dwt n VAL 67 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3dwt s LYS 68 N -0.18 4.31 0.00 7.34 2.20 -0.85 -2.02 119.74 130.54 3dwt s LYS 68 Ca 0.00 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 3dwt s LYS 68 Cb 0.00 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3dwt s LYS 68 CO 0.00 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 3dwt n GLY 69 N 1.38 2.97 0.06 5.54 0.00 -1.26 -4.78 105.19 109.11 3dwt n GLY 69 Ca 0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 3dwt n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dwt h ARG 70 N 0.00 0.00 -7.01 1.61 3.08 -1.91 -3.47 114.38 106.68 3dwt h ARG 70 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3dwt h ARG 70 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.09 3dwt h ARG 70 CO 0.00 0.10 0.43 -0.06 -1.07 0.00 0.00 179.97 179.37 3dwt s PHE 71 N -1.92 3.03 -0.27 3.04 0.40 -0.86 -3.15 117.98 118.26 3dwt s PHE 71 Ca -0.09 1.59 -0.03 0.00 -0.60 0.00 0.00 56.93 57.80 3dwt s PHE 71 Cb 0.01 -3.21 0.11 0.00 0.51 0.00 0.00 43.02 40.44 3dwt s PHE 71 CO 0.16 -1.03 0.19 0.99 0.70 0.00 0.00 175.22 176.22 3dwt s THR 72 N -1.70 -0.20 0.15 0.64 2.01 0.41 -4.86 115.64 112.09 3dwt s THR 72 Ca 0.63 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 3dwt s THR 72 Cb -0.23 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 3dwt s THR 72 CO 0.28 -0.57 0.72 -0.51 -0.69 0.00 0.00 174.62 173.85 3dwt s ILE 73 N 2.21 4.49 0.36 1.82 2.07 -1.26 -2.02 121.20 128.86 3dwt s ILE 73 Ca 0.08 1.52 -0.02 0.00 -1.41 0.00 0.00 60.65 60.81 3dwt s ILE 73 Cb -0.15 -4.03 0.01 0.00 0.13 0.00 0.00 42.46 38.41 3dwt s ILE 73 CO -0.31 0.48 0.50 -0.94 -1.91 0.00 0.00 174.94 172.76 3dwt s SER 74 N -1.22 0.97 0.03 4.50 1.04 -0.22 -4.98 113.70 113.82 3dwt s SER 74 Ca 0.35 -1.51 -0.22 0.00 0.48 0.00 0.00 55.95 55.05 3dwt s SER 74 Cb -0.21 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.65 3dwt s SER 74 CO 0.24 -1.35 0.50 0.00 0.98 0.00 0.00 173.24 173.61 3dwt s ARG 75 N -2.90 0.98 -0.27 4.02 1.70 -1.26 -1.46 118.95 119.76 3dwt s ARG 75 Ca 0.30 -0.19 -0.02 0.00 -0.47 0.00 0.00 55.73 55.36 3dwt s ARG 75 Cb -0.01 0.45 0.09 0.00 -0.57 0.00 0.00 34.95 34.90 3dwt s ARG 75 CO 0.21 -0.34 0.08 0.34 -1.08 0.00 0.00 175.30 174.51 3dwt s ASP 76 N -1.80 3.60 0.46 -2.89 -1.08 -0.74 -5.02 116.67 109.21 3dwt s ASP 76 Ca -0.07 -1.32 0.22 0.00 -0.52 0.00 0.00 52.55 50.87 3dwt s ASP 76 Cb -0.01 -0.71 1.14 0.00 -1.46 0.00 0.00 42.92 41.87 3dwt s ASP 76 CO 0.00 -0.38 1.95 0.78 0.52 0.00 0.00 175.17 178.05 3dwt h ASN 77 N 8.18 0.00 -0.45 -0.34 2.35 -1.96 -1.02 115.58 122.34 3dwt h ASN 77 Ca -0.15 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 3dwt h ASN 77 Cb 1.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 3dwt h ASN 77 CO 0.42 0.21 0.01 0.00 -1.65 0.00 0.00 177.43 176.42 3dwt h ALA 78 N 1.79 0.60 -0.01 -0.83 0.00 -1.96 -2.89 119.26 115.96 3dwt h ALA 78 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3dwt h ALA 78 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dwt h ALA 78 CO 0.03 0.38 -0.22 1.63 0.00 0.00 0.00 179.25 181.07 3dwt n LYS 79 N -4.40 0.91 -3.54 0.00 5.02 -1.11 -4.95 118.16 110.10 3dwt n LYS 79 Ca 0.00 -0.52 -0.20 0.00 -2.02 0.00 0.00 58.31 55.57 3dwt n LYS 79 Cb 0.29 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.89 3dwt n LYS 79 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dwt n ASN 80 N -0.59 -2.62 -4.14 4.39 4.13 -0.46 -4.83 115.26 111.14 3dwt n ASN 80 Ca 0.13 -0.66 -0.23 0.00 1.68 0.00 0.00 54.58 55.50 3dwt n ASN 80 Cb 0.34 -4.82 -0.15 0.00 -1.54 0.00 0.00 39.78 33.61 3dwt n ASN 80 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3dwt s THR 81 N -3.42 1.23 -0.07 3.41 2.01 -0.77 -2.04 115.64 115.99 3dwt s THR 81 Ca 0.12 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.46 3dwt s THR 81 Cb -0.05 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3dwt s THR 81 CO 0.75 0.34 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.20 3dwt s VAL 82 N -0.38 3.19 -0.02 3.82 1.01 0.05 -1.78 120.40 126.29 3dwt s VAL 82 Ca 0.06 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3dwt s VAL 82 Cb -0.06 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3dwt s VAL 82 CO -0.01 0.58 -0.14 -0.89 0.00 0.00 0.00 175.10 174.65 3dwt s THR 83 N -0.53 1.09 -0.26 3.92 2.01 -0.54 -0.74 115.64 120.59 3dwt s THR 83 Ca 0.07 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.52 3dwt s THR 83 Cb -0.12 -0.92 0.07 0.00 0.01 0.00 0.00 72.50 71.54 3dwt s THR 83 CO 0.02 0.31 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.98 3dwt s LEU 84 N -0.21 3.20 -0.47 4.42 2.96 -0.73 -1.05 118.68 126.79 3dwt s LEU 84 Ca 0.03 -1.42 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 3dwt s LEU 84 Cb -0.07 -1.37 0.05 0.00 0.50 0.00 0.00 46.19 45.30 3dwt s LEU 84 CO -0.00 -0.25 0.53 -1.58 -1.32 0.00 0.00 176.35 173.73 3dwt s GLN 85 N 1.22 3.09 -0.42 1.98 2.00 -0.86 -1.74 119.66 124.94 3dwt s GLN 85 Ca -0.04 -0.93 -0.16 0.00 -2.00 0.00 0.00 55.36 52.23 3dwt s GLN 85 Cb -0.19 -4.06 0.02 0.00 0.80 0.00 0.00 33.01 29.58 3dwt s GLN 85 CO -0.07 -1.07 0.39 -1.64 -0.50 0.00 0.00 175.29 172.40 3dwt s MET 86 N 2.30 3.05 -0.21 1.67 -1.94 -0.81 -0.45 119.30 122.91 3dwt s MET 86 Ca 0.12 -0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 53.04 3dwt s MET 86 Cb -0.19 -3.98 -0.18 0.00 2.01 0.00 0.00 34.83 32.48 3dwt s MET 86 CO 0.12 -0.84 0.12 0.09 -0.01 0.00 0.00 175.02 174.49 3dwt n ASN 87 N 5.45 1.91 -3.73 3.03 3.02 -1.19 -2.26 115.26 121.49 3dwt n ASN 87 Ca -0.09 0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 54.49 3dwt n ASN 87 Cb 0.47 -0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 3dwt n ASN 87 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dwt n ASN 88 N -4.28 5.06 -4.68 6.41 2.85 -1.26 -3.91 115.26 115.44 3dwt n ASN 88 Ca -0.37 -3.42 -0.44 0.00 -0.11 0.00 0.00 54.58 50.24 3dwt n ASN 88 Cb 0.76 -0.97 -0.03 0.00 1.24 0.00 0.00 39.78 40.78 3dwt n ASN 88 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3dwt n LEU 89 N 1.14 3.32 -4.37 1.20 4.77 -0.98 -4.71 117.00 117.38 3dwt n LEU 89 Ca 0.28 1.13 -0.24 0.00 -0.03 0.00 0.00 56.01 57.14 3dwt n LEU 89 Cb 0.37 -1.46 -0.12 0.00 -2.33 0.00 0.00 43.42 39.89 3dwt n LEU 89 CO 0.56 -0.33 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.24 3dwt s LYS 90 N -0.09 1.37 0.37 3.23 1.02 -1.26 -0.90 119.74 123.48 3dwt s LYS 90 Ca 0.70 -1.44 0.19 0.00 0.02 0.00 0.00 55.97 55.44 3dwt s LYS 90 Cb -0.63 -1.57 1.01 0.00 -0.52 0.00 0.00 37.83 36.12 3dwt s LYS 90 CO 0.46 0.33 1.51 -1.35 -0.92 0.00 0.00 175.35 175.39 3dwt h PRO 91 N 3.31 0.00 0.00 -1.68 0.11 -1.93 0.29 132.00 132.10 3dwt h PRO 91 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dwt h PRO 91 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dwt h PRO 91 CO 0.48 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.20 3dwt h GLU 92 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.92 114.58 115.15 3dwt h GLU 92 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dwt h GLU 92 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3dwt h GLU 92 CO 0.00 0.00 -0.14 -0.44 -1.16 0.00 0.00 179.01 177.27 3dwt h ASP 93 N 0.00 0.00 -1.69 1.42 3.45 -0.80 -3.45 116.42 115.34 3dwt h ASP 93 Ca 0.00 -0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.81 3dwt h ASP 93 Cb 0.78 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.56 3dwt h ASP 93 CO 0.00 0.00 1.18 0.41 -1.57 0.00 0.00 179.24 179.26 3dwt n THR 94 N -3.00 0.41 0.00 0.35 -1.04 -1.11 -4.83 114.28 105.07 3dwt n THR 94 Ca 0.04 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3dwt n THR 94 Cb 0.53 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 3dwt n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwt n ALA 95 N 7.69 0.00 -2.61 2.41 0.00 -0.28 -4.62 120.51 123.10 3dwt n ALA 95 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 3dwt n ALA 95 Cb 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 3dwt n ALA 95 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3dwt s ILE 96 N -2.00 5.24 -0.25 0.00 2.07 -0.93 -1.34 121.20 123.99 3dwt s ILE 96 Ca 0.00 0.40 -0.16 0.00 -1.41 0.00 0.00 60.65 59.48 3dwt s ILE 96 Cb 0.00 -3.62 -0.03 0.00 0.13 0.00 0.00 42.46 38.93 3dwt s ILE 96 CO 0.00 0.21 0.42 -0.31 -1.91 0.00 0.00 174.94 173.35 3dwt s TYR 97 N 1.81 3.28 -0.11 3.50 1.51 0.12 -1.76 117.35 125.71 3dwt s TYR 97 Ca 0.12 0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 56.66 3dwt s TYR 97 Cb -0.16 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 3dwt s TYR 97 CO 0.10 -0.19 0.08 0.71 -1.11 0.00 0.00 175.55 175.14 3dwt s TYR 98 N 1.94 3.41 0.38 2.71 2.02 -0.02 -1.61 117.35 126.17 3dwt s TYR 98 Ca 0.18 0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 57.23 3dwt s TYR 98 Cb -0.15 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 3dwt s TYR 98 CO 0.09 0.62 0.64 0.00 -1.57 0.00 0.00 175.55 175.33 3dwt s ALA 100 N -2.40 -1.47 0.11 0.00 0.00 -0.94 -1.20 121.76 115.86 3dwt s ALA 100 Ca 0.44 0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 3dwt s ALA 100 Cb -0.10 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.90 3dwt s ALA 100 CO 0.37 -0.75 0.39 0.00 0.00 0.00 0.00 175.76 175.78 3dwt s ALA 101 N -3.76 -0.91 -0.12 0.00 0.00 -0.33 -2.18 121.76 114.46 3dwt s ALA 101 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 3dwt s ALA 101 Cb -0.00 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.76 3dwt s ALA 101 CO -0.13 -0.60 0.42 0.54 0.00 0.00 0.00 175.76 175.99 3dwt s VAL 102 N -3.53 0.01 -1.00 0.00 0.11 -0.82 -1.46 120.40 113.71 3dwt s VAL 102 Ca 0.01 -0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.78 3dwt s VAL 102 Cb 0.01 -0.62 0.13 0.00 -1.53 0.00 0.00 36.38 34.37 3dwt s VAL 102 CO -0.10 -0.06 1.23 -0.60 -3.33 0.00 0.00 175.10 172.24 3dwt s ARG 103 N -0.19 3.69 0.00 1.54 3.52 -1.26 -1.33 118.95 124.93 3dwt s ARG 103 Ca -0.04 -1.85 0.00 0.00 -0.13 0.00 0.00 55.73 53.72 3dwt s ARG 103 Cb -0.03 -5.00 0.00 0.00 -1.56 0.00 0.00 34.95 28.35 3dwt s ARG 103 CO 0.02 -1.83 0.00 0.41 -0.81 0.00 0.00 175.30 173.09 3dwt n GLY 104 N 5.39 -0.78 3.34 8.12 0.00 -1.07 -4.99 105.19 115.20 3dwt n GLY 104 Ca 0.28 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3dwt n GLY 104 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dwt s TYR 105 N -3.88 -0.46 0.21 1.61 5.04 -1.26 -4.05 117.35 114.56 3dwt s TYR 105 Ca 0.00 1.08 -0.05 0.00 -2.44 0.00 0.00 57.07 55.66 3dwt s TYR 105 Cb 0.00 0.17 -0.03 0.00 0.35 0.00 0.00 41.96 42.46 3dwt s TYR 105 CO 0.00 -0.28 0.25 -0.59 -1.34 0.00 0.00 175.55 173.59 3dwt s PHE 106 N -0.05 0.86 -0.10 4.97 -0.12 -1.26 -5.08 117.98 117.20 3dwt s PHE 106 Ca -0.02 -1.14 0.14 0.00 -0.05 0.00 0.00 56.93 55.86 3dwt s PHE 106 Cb -0.03 -0.29 0.22 0.00 -0.63 0.00 0.00 43.02 42.28 3dwt s PHE 106 CO 0.02 -0.76 1.11 -1.33 -0.05 0.00 0.00 175.22 174.20 3dwt n MET 107 N -0.30 1.10 -4.16 1.99 2.81 -1.26 -4.83 117.12 112.46 3dwt n MET 107 Ca 0.00 -2.19 -0.17 0.00 -1.81 0.00 0.00 57.70 53.53 3dwt n MET 107 Cb 0.64 -1.27 -0.05 0.00 -0.71 0.00 0.00 33.22 31.83 3dwt n MET 107 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3dwt s ARG 108 N -2.19 1.91 -0.73 0.03 3.00 -1.26 -5.06 118.95 114.64 3dwt s ARG 108 Ca 0.24 -1.89 -0.25 0.00 0.00 0.00 0.00 55.73 53.83 3dwt s ARG 108 Cb 0.21 0.41 0.05 0.00 0.00 0.00 0.00 34.95 35.61 3dwt s ARG 108 CO 0.02 -0.77 1.19 -1.17 0.00 0.00 0.00 175.30 174.57 3dwt s LEU 109 N -3.30 3.59 0.00 2.53 1.98 -1.26 -4.91 118.68 117.31 3dwt s LEU 109 Ca 0.34 -0.70 -0.01 0.00 -2.89 0.00 0.00 54.13 50.87 3dwt s LEU 109 Cb 0.00 -2.51 0.01 0.00 0.66 0.00 0.00 46.19 44.35 3dwt s LEU 109 CO 0.24 -1.68 0.02 -0.81 -1.89 0.00 0.00 176.35 172.23 3dwt n PRO 110 N 8.78 -1.96 -4.68 0.98 -0.04 -1.26 -5.07 135.00 131.75 3dwt n PRO 110 Ca 0.03 -0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 3dwt n PRO 110 Cb 0.48 -0.04 -0.07 0.00 -0.04 0.00 0.00 33.50 33.82 3dwt n PRO 110 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dwt n SER 111 N -3.07 2.59 -0.26 3.54 3.41 -1.26 -4.80 113.62 113.77 3dwt n SER 111 Ca 0.00 -3.30 0.05 0.00 -0.26 0.00 0.00 58.87 55.36 3dwt n SER 111 Cb 0.01 0.65 0.15 0.00 -0.26 0.00 0.00 64.21 64.76 3dwt n SER 111 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dwt h SER 112 N 1.44 -0.47 -0.03 4.04 0.02 -1.94 -1.37 113.55 115.24 3dwt h SER 112 Ca -0.40 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3dwt h SER 112 Cb 1.30 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.24 3dwt h SER 112 CO 0.65 -0.21 0.00 0.00 -1.14 0.00 0.00 176.83 176.12 3dwt n HIS 113 N -5.40 0.04 1.02 3.45 -0.00 -1.26 -2.72 115.22 110.34 3dwt n HIS 113 Ca 0.13 -0.02 0.11 0.00 -0.00 0.00 0.00 57.72 57.94 3dwt n HIS 113 Cb 0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.99 30.43 3dwt n HIS 113 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3dwt n ASN 114 N -0.38 1.38 -4.61 4.39 5.03 -0.52 -4.90 115.26 115.65 3dwt n ASN 114 Ca 0.01 -1.14 -0.32 0.00 0.87 0.00 0.00 54.58 54.00 3dwt n ASN 114 Cb 0.05 0.68 -0.10 0.00 -1.02 0.00 0.00 39.78 39.39 3dwt n ASN 114 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3dwt s PHE 115 N -2.76 2.91 -0.23 3.10 0.40 -1.10 -4.78 117.98 115.52 3dwt s PHE 115 Ca 0.13 -0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.40 3dwt s PHE 115 Cb 0.17 -1.60 -0.13 0.00 0.51 0.00 0.00 43.02 41.97 3dwt s PHE 115 CO 0.72 0.40 -0.24 -2.13 0.70 0.00 0.00 175.22 174.66 3dwt n ARG 116 N 1.40 0.55 -4.01 0.44 0.63 -0.53 -4.98 116.66 110.15 3dwt n ARG 116 Ca -0.15 0.17 -0.34 0.00 -0.92 0.00 0.00 57.85 56.61 3dwt n ARG 116 Cb 0.52 -1.42 -0.06 0.00 0.45 0.00 0.00 32.46 31.95 3dwt n ARG 116 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3dwt s TYR 117 N -2.45 3.42 0.09 -0.14 1.51 -0.63 -4.98 117.35 114.18 3dwt s TYR 117 Ca -0.32 0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 3dwt s TYR 117 Cb 0.10 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 3dwt s TYR 117 CO 0.49 0.61 -0.04 -1.58 -1.11 0.00 0.00 175.55 173.92 3dwt s TRP 118 N -1.22 0.82 0.73 2.71 0.52 -1.26 -1.19 118.94 120.05 3dwt s TRP 118 Ca 0.23 -0.99 -0.01 0.00 0.02 0.00 0.00 56.10 55.35 3dwt s TRP 118 Cb -0.12 -0.50 0.15 0.00 -1.15 0.00 0.00 33.47 31.85 3dwt s TRP 118 CO 0.14 -0.25 1.01 0.41 0.02 0.00 0.00 176.95 178.28 3dwt n GLY 119 N -0.02 0.49 1.05 0.98 0.00 -0.34 -4.05 105.19 103.29 3dwt n GLY 119 Ca -0.12 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 44.01 3dwt n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dwt n GLN 120 N -2.88 2.36 0.00 1.61 1.13 -1.26 -4.70 117.38 113.64 3dwt n GLN 120 Ca 0.16 -2.07 0.00 0.00 -1.94 0.00 0.00 57.00 53.15 3dwt n GLN 120 Cb 0.58 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.44 3dwt n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dwt n GLY 121 N 1.44 1.02 3.15 1.08 0.00 -1.26 -5.04 105.19 105.58 3dwt n GLY 121 Ca 0.19 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 3dwt n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwt s THR 122 N -2.92 -0.58 0.18 2.61 2.01 -0.63 -4.93 115.64 111.38 3dwt s THR 122 Ca 0.00 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 3dwt s THR 122 Cb 0.00 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 71.81 3dwt s THR 122 CO 0.00 0.06 1.32 -1.58 -0.69 0.00 0.00 174.62 173.73 3dwt s GLN 123 N 2.55 4.37 -0.11 4.92 2.00 -1.26 -0.70 119.66 131.43 3dwt s GLN 123 Ca 0.01 2.05 -0.01 0.00 -2.00 0.00 0.00 55.36 55.40 3dwt s GLN 123 Cb -0.12 -3.21 0.04 0.00 0.80 0.00 0.00 33.01 30.51 3dwt s GLN 123 CO -0.12 -0.30 -0.01 0.08 -0.50 0.00 0.00 175.29 174.45 3dwt s VAL 124 N 0.36 0.55 -0.19 1.34 1.01 -0.45 -1.85 120.40 121.17 3dwt s VAL 124 Ca 0.58 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.44 3dwt s VAL 124 Cb -0.36 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.28 3dwt s VAL 124 CO 0.36 0.16 -0.17 -0.89 0.00 0.00 0.00 175.10 174.56 3dwt s THR 125 N 1.89 2.02 -0.20 3.92 2.01 -0.38 -1.13 115.64 123.76 3dwt s THR 125 Ca 0.03 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 3dwt s THR 125 Cb -0.14 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 3dwt s THR 125 CO -0.06 0.40 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.55 3dwt s VAL 126 N 1.27 3.71 0.16 3.82 1.01 -1.25 0.37 120.40 129.48 3dwt s VAL 126 Ca 0.02 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3dwt s VAL 126 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3dwt s VAL 126 CO -0.11 0.43 -0.21 -0.94 0.00 0.00 0.00 175.10 174.28 3dwt s SER 127 N 1.11 2.85 0.36 3.32 1.04 -0.82 -4.30 113.70 117.26 3dwt s SER 127 Ca 0.02 -0.82 -0.28 0.00 0.48 0.00 0.00 55.95 55.35 3dwt s SER 127 Cb -0.14 -0.18 -0.12 0.00 0.10 0.00 0.00 66.02 65.68 3dwt s SER 127 CO 0.01 0.03 1.40 -0.24 0.98 0.00 0.00 173.24 175.42 3dwt n SER 128 N 0.49 3.31 0.00 7.02 2.88 -1.26 -0.62 113.62 125.44 3dwt n SER 128 Ca -0.15 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 3dwt n SER 128 Cb 0.56 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 3dwt n SER 128 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70