#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 2.11 -0.14 7.34 -2.07 -1.04 -4.87 119.66 120.98 3dwt s GLN 3 Ca 0.00 -0.99 0.02 0.00 -1.82 0.00 0.00 55.36 52.57 3dwt s GLN 3 Cb 0.00 -2.25 0.01 0.00 -1.09 0.00 0.00 33.01 29.68 3dwt s GLN 3 CO 0.00 0.53 -0.20 -0.51 -1.32 0.00 0.00 175.29 173.79 3dwt s LEU 4 N -1.75 2.21 -0.11 2.60 1.43 -1.26 0.18 118.68 121.98 3dwt s LEU 4 Ca 0.17 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 3dwt s LEU 4 Cb -0.11 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3dwt s LEU 4 CO 0.09 0.08 0.05 -0.69 0.23 0.00 0.00 176.35 176.10 3dwt s VAL 5 N 0.80 4.68 -0.40 -1.59 1.01 -0.14 -4.26 120.40 120.51 3dwt s VAL 5 Ca -0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 3dwt s VAL 5 Cb -0.16 -3.02 0.08 0.00 0.00 0.00 0.00 36.38 33.29 3dwt s VAL 5 CO -0.01 0.58 0.20 -1.61 0.00 0.00 0.00 175.10 174.26 3dwt s GLU 6 N -0.65 2.40 0.86 2.72 2.02 -1.26 -1.40 118.70 123.38 3dwt s GLU 6 Ca 0.11 -1.54 -0.08 0.00 0.02 0.00 0.00 54.97 53.48 3dwt s GLU 6 Cb -0.12 -3.63 0.18 0.00 0.10 0.00 0.00 34.13 30.67 3dwt s GLU 6 CO 0.02 -0.94 1.18 -1.12 0.02 0.00 0.00 175.26 174.42 3dwt s SER 7 N 1.90 3.55 0.29 -0.19 0.01 0.15 -4.91 113.70 114.50 3dwt s SER 7 Ca 0.03 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3dwt s SER 7 Cb -0.22 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3dwt s SER 7 CO -0.00 -2.42 0.00 0.61 0.41 0.00 0.00 173.24 171.84 3dwt n GLY 8 N -3.34 -2.23 0.00 3.44 0.00 -1.26 -2.20 105.19 99.60 3dwt n GLY 8 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.51 2.99 0.00 -0.02 0.00 -1.26 -4.82 105.19 98.57 3dwt n GLY 9 Ca -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.80 1.01 3.60 -0.02 0.00 -0.67 -5.03 105.19 103.29 3dwt n GLY 10 Ca 0.00 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.79 5.12 0.07 1.61 1.04 -1.26 -0.99 113.70 116.50 3dwt s SER 11 Ca 0.00 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3dwt s SER 11 Cb 0.00 -1.69 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 3dwt s SER 11 CO 0.00 0.25 -0.06 0.54 0.98 0.00 0.00 173.24 174.96 3dwt s VAL 12 N -0.12 0.49 0.29 5.02 0.11 0.19 -4.94 120.40 121.45 3dwt s VAL 12 Ca 0.04 -1.64 -0.24 0.00 -2.93 0.00 0.00 61.98 57.21 3dwt s VAL 12 Cb -0.13 -1.29 -0.09 0.00 -1.53 0.00 0.00 36.38 33.34 3dwt s VAL 12 CO 0.02 -0.77 0.88 -1.58 -3.33 0.00 0.00 175.10 170.32 3dwt s GLN 13 N -3.18 4.50 0.19 1.54 0.74 -1.26 -1.67 119.66 120.52 3dwt s GLN 13 Ca 0.04 1.20 -0.32 0.00 0.05 0.00 0.00 55.36 56.33 3dwt s GLN 13 Cb 0.01 -2.85 -0.16 0.00 1.10 0.00 0.00 33.01 31.12 3dwt s GLN 13 CO -0.05 0.33 1.05 0.00 -0.55 0.00 0.00 175.29 176.07 3dwt n ALA 14 N 0.66 -1.10 0.00 1.58 0.00 0.06 -0.13 120.51 121.57 3dwt n ALA 14 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3dwt n ALA 14 Cb 0.50 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.83 2.04 3.85 0.00 0.00 0.14 -4.99 105.19 108.06 3dwt n GLY 15 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3dwt n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwt s GLY 16 N -2.01 1.60 0.24 -0.02 0.00 0.81 -4.58 107.32 103.37 3dwt s GLY 16 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.10 3dwt s GLY 16 CO 0.00 -0.11 0.31 -1.26 0.00 0.00 0.00 173.10 172.04 3dwt n SER 17 N -3.57 1.04 0.00 1.64 2.88 -1.25 -2.84 113.62 111.52 3dwt n SER 17 Ca 0.08 -1.67 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 3dwt n SER 17 Cb 0.60 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3dwt n SER 17 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3dwt n LEU 18 N 0.00 0.00 -4.11 2.46 0.00 -0.99 -4.91 117.00 109.45 3dwt n LEU 18 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.72 3dwt n LEU 18 Cb 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.55 3dwt n LEU 18 CO 0.16 0.00 -0.23 -0.60 0.00 0.00 0.00 177.39 176.72 3dwt s ARG 19 N 0.00 1.96 0.47 1.96 3.52 -1.26 -1.75 118.95 123.86 3dwt s ARG 19 Ca 0.00 -1.75 -0.22 0.00 -0.13 0.00 0.00 55.73 53.63 3dwt s ARG 19 Cb 0.00 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 3dwt s ARG 19 CO 0.00 -0.98 1.13 -0.51 -0.81 0.00 0.00 175.30 174.14 3dwt s LEU 20 N 1.11 3.97 0.05 -0.88 1.43 -0.37 -4.45 118.68 119.53 3dwt s LEU 20 Ca 0.07 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 3dwt s LEU 20 Cb -0.22 -4.32 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 3dwt s LEU 20 CO -0.04 -0.90 -0.10 -0.55 0.23 0.00 0.00 176.35 174.98 3dwt s SER 21 N -1.51 1.13 -0.08 2.29 0.15 -0.93 -1.79 113.70 112.97 3dwt s SER 21 Ca 0.65 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 56.70 3dwt s SER 21 Cb -0.26 0.00 0.04 0.00 -1.71 0.00 0.00 66.02 64.09 3dwt s SER 21 CO 0.31 -0.15 0.17 0.00 1.20 0.00 0.00 173.24 174.77 3dwt s THR 23 N 1.04 1.45 -0.15 0.00 2.01 -0.49 -0.52 115.64 118.99 3dwt s THR 23 Ca -0.08 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.01 3dwt s THR 23 Cb -0.10 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 3dwt s THR 23 CO -0.06 0.41 0.31 0.00 -0.69 0.00 0.00 174.62 174.59 3dwt s ALA 24 N -0.36 3.60 0.30 7.40 0.00 -0.94 -0.96 121.76 130.80 3dwt s ALA 24 Ca 0.05 -0.42 0.11 0.00 0.00 0.00 0.00 51.96 51.70 3dwt s ALA 24 Cb -0.08 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 3dwt s ALA 24 CO -0.00 0.13 -0.11 0.45 0.00 0.00 0.00 175.76 176.23 3dwt s SER 25 N 0.32 3.89 0.00 0.00 0.15 0.13 -4.95 113.70 113.24 3dwt s SER 25 Ca 0.18 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.84 3dwt s SER 25 Cb -0.13 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 3dwt s SER 25 CO 0.05 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.03 3dwt n GLY 26 N -0.76 0.00 0.00 9.45 0.00 -1.26 -2.50 105.19 110.12 3dwt n GLY 26 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 2.16 3.10 0.00 -0.02 0.00 -1.26 -4.22 105.19 104.95 3dwt n GLY 27 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3dwt n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dwt n SER 28 N 0.00 0.28 -4.78 1.61 7.64 -1.26 -5.13 113.62 111.98 3dwt n SER 28 Ca 0.00 -0.10 -0.31 0.00 1.01 0.00 0.00 58.87 59.47 3dwt n SER 28 Cb 0.00 0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 3dwt n SER 28 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3dwt s SER 31 N -0.32 5.59 0.05 6.43 0.15 -1.26 -5.21 113.70 119.14 3dwt s SER 31 Ca 0.00 0.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.49 3dwt s SER 31 Cb 0.00 -1.54 -0.13 0.00 -1.71 0.00 0.00 66.02 62.64 3dwt s SER 31 CO 0.00 0.20 1.42 0.22 1.20 0.00 0.00 173.24 176.28 3dwt h TYR 32 N 3.50 0.38 0.00 3.44 3.20 -1.98 -2.96 116.97 122.55 3dwt h TYR 32 Ca -0.47 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.31 3dwt h TYR 32 Cb 1.17 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3dwt h TYR 32 CO 0.61 0.63 0.13 -1.13 -1.64 0.00 0.00 178.16 176.77 3dwt n SER 33 N -4.64 0.00 0.04 -2.11 3.41 -1.26 0.16 113.62 109.21 3dwt n SER 33 Ca -0.05 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 3dwt n SER 33 Cb 0.29 -0.27 0.31 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.23 0.20 -3.67 6.66 -1.04 -1.12 -4.32 114.28 109.76 3dwt n THR 34 Ca 0.00 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.05 61.63 3dwt n THR 34 Cb 0.13 -0.13 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -3.07 3.48 -0.05 -1.42 0.40 0.12 -2.99 117.98 114.45 3dwt s PHE 35 Ca 0.10 0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.71 3dwt s PHE 35 Cb 0.16 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 3dwt s PHE 35 CO 0.66 0.31 -0.19 -1.12 0.70 0.00 0.00 175.22 175.58 3dwt s SER 36 N -3.72 3.62 0.17 1.36 0.01 -0.21 -3.36 113.70 111.56 3dwt s SER 36 Ca 0.38 -0.33 0.10 0.00 1.31 0.00 0.00 55.95 57.41 3dwt s SER 36 Cb -0.10 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 3dwt s SER 36 CO 0.32 0.31 -0.22 -0.76 0.41 0.00 0.00 173.24 173.30 3dwt s LEU 37 N -0.53 2.42 -0.16 2.44 1.43 -0.19 -2.12 118.68 121.98 3dwt s LEU 37 Ca 0.07 -0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 52.06 3dwt s LEU 37 Cb -0.11 -1.02 0.07 0.00 0.03 0.00 0.00 46.19 45.15 3dwt s LEU 37 CO 0.01 0.06 0.66 -0.83 0.23 0.00 0.00 176.35 176.48 3dwt s GLY 38 N -2.58 -0.52 -0.19 -3.19 0.00 -0.70 0.15 107.32 100.29 3dwt s GLY 38 Ca 0.17 1.58 -0.09 0.00 0.00 0.00 0.00 44.72 46.39 3dwt s GLY 38 CO 0.08 1.28 0.10 -0.98 0.00 0.00 0.00 173.10 173.59 3dwt s TRP 39 N -0.37 3.36 0.35 1.90 0.52 0.37 -1.93 118.94 123.14 3dwt s TRP 39 Ca -0.05 0.24 0.09 0.00 0.02 0.00 0.00 56.10 56.40 3dwt s TRP 39 Cb -0.03 -2.12 -0.06 0.00 -1.15 0.00 0.00 33.47 30.11 3dwt s TRP 39 CO 0.05 0.26 -0.02 -0.06 0.02 0.00 0.00 176.95 177.20 3dwt s PHE 40 N 0.30 2.50 0.13 -1.98 0.40 -0.60 -0.26 117.98 118.46 3dwt s PHE 40 Ca 0.07 -0.48 -0.06 0.00 -0.60 0.00 0.00 56.93 55.86 3dwt s PHE 40 Cb -0.11 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 3dwt s PHE 40 CO -0.01 0.50 0.16 -0.98 0.70 0.00 0.00 175.22 175.59 3dwt s ARG 41 N -3.69 0.97 -0.25 0.44 1.70 -0.28 -0.12 118.95 117.73 3dwt s ARG 41 Ca 0.34 -1.23 -0.04 0.00 -0.47 0.00 0.00 55.73 54.33 3dwt s ARG 41 Cb 0.02 0.31 0.14 0.00 -0.57 0.00 0.00 34.95 34.84 3dwt s ARG 41 CO 0.18 -0.31 0.47 -1.14 -1.08 0.00 0.00 175.30 173.42 3dwt s GLN 42 N -3.97 0.42 0.49 3.89 0.74 -0.53 -1.38 119.66 119.31 3dwt s GLN 42 Ca 0.16 0.87 -0.02 0.00 0.05 0.00 0.00 55.36 56.43 3dwt s GLN 42 Cb 0.05 0.12 -0.00 0.00 1.10 0.00 0.00 33.01 34.28 3dwt s GLN 42 CO -0.02 -0.49 0.74 0.00 -0.55 0.00 0.00 175.29 174.96 3dwt s ALA 43 N 2.68 3.61 -0.12 1.58 0.00 -1.26 -2.66 121.76 125.59 3dwt s ALA 43 Ca 0.09 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 3dwt s ALA 43 Cb -0.14 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 3dwt s ALA 43 CO -0.17 -0.48 1.97 -2.14 0.00 0.00 0.00 175.76 174.95 3dwt s PRO 44 N -4.68 3.69 0.00 0.00 0.02 -1.26 -3.02 135.00 129.75 3dwt s PRO 44 Ca 0.50 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3dwt s PRO 44 Cb -0.10 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.21 3dwt s PRO 44 CO 0.40 -1.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 3dwt n GLY 45 N 5.01 2.86 3.76 0.52 0.00 -1.26 -5.05 105.19 111.02 3dwt n GLY 45 Ca 0.23 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 2.06 1.00 1.61 -0.21 -1.17 -5.05 119.66 117.91 3dwt s GLN 46 Ca 0.00 1.09 -0.17 0.00 0.02 0.00 0.00 55.36 56.30 3dwt s GLN 46 Cb 0.00 -1.88 0.23 0.00 1.00 0.00 0.00 33.01 32.36 3dwt s GLN 46 CO 0.00 -1.76 1.32 0.39 -2.12 0.00 0.00 175.29 173.12 3dwt n GLU 47 N -3.59 -1.43 -2.89 2.91 1.02 -1.26 -4.42 120.64 110.98 3dwt n GLU 47 Ca 0.09 -2.04 -0.42 0.00 -0.02 0.00 0.00 57.16 54.76 3dwt n GLU 47 Cb 0.53 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.52 3dwt n GLU 47 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3dwt s ARG 48 N -5.89 3.95 0.27 3.49 3.52 -1.26 -4.48 118.95 118.55 3dwt s ARG 48 Ca 0.75 0.62 0.07 0.00 -0.13 0.00 0.00 55.73 57.05 3dwt s ARG 48 Cb -0.02 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3dwt s ARG 48 CO 0.53 -0.75 0.26 -1.83 -0.81 0.00 0.00 175.30 172.70 3dwt s GLU 49 N 3.10 2.98 0.21 5.12 -1.05 -0.48 -4.86 118.70 123.72 3dwt s GLU 49 Ca 0.34 -1.05 -0.16 0.00 -0.15 0.00 0.00 54.97 53.95 3dwt s GLU 49 Cb -0.14 -2.61 -0.08 0.00 -0.44 0.00 0.00 34.13 30.86 3dwt s GLU 49 CO 0.14 0.32 0.66 0.00 0.95 0.00 0.00 175.26 177.33 3dwt s ALA 50 N -2.15 3.46 -0.08 -0.84 0.00 -1.26 -1.12 121.76 119.78 3dwt s ALA 50 Ca 0.35 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 3dwt s ALA 50 Cb -0.08 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3dwt s ALA 50 CO 0.26 0.38 -0.15 0.28 0.00 0.00 0.00 175.76 176.53 3dwt n VAL 51 N 0.52 0.98 -3.59 0.00 0.31 0.64 -4.53 118.33 112.65 3dwt n VAL 51 Ca -0.02 0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 3dwt n VAL 51 Cb 0.52 -1.78 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.30 -1.28 0.05 3.52 0.00 -0.86 -0.22 121.76 120.67 3dwt s ALA 52 Ca -0.15 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 3dwt s ALA 52 Cb 0.04 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.53 3dwt s ALA 52 CO 0.20 -0.49 0.18 0.00 0.00 0.00 0.00 175.76 175.65 3dwt s ALA 53 N -2.40 -0.29 -0.09 0.00 0.00 -0.24 0.14 121.76 118.88 3dwt s ALA 53 Ca -0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3dwt s ALA 53 Cb -0.01 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.47 3dwt s ALA 53 CO -0.01 -0.39 0.10 -1.50 0.00 0.00 0.00 175.76 173.96 3dwt s ILE 54 N -2.84 -0.15 0.64 0.00 2.07 0.39 -1.14 121.20 120.17 3dwt s ILE 54 Ca -0.03 0.23 -0.12 0.00 -1.41 0.00 0.00 60.65 59.32 3dwt s ILE 54 Cb 0.00 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 3dwt s ILE 54 CO -0.05 0.03 1.04 0.00 -1.91 0.00 0.00 174.94 174.04 3dwt s ALA 55 N 2.19 2.90 0.91 1.50 0.00 0.22 -1.03 121.76 128.45 3dwt s ALA 55 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3dwt s ALA 55 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3dwt s ALA 55 CO -0.06 -0.86 0.00 -1.13 0.00 0.00 0.00 175.76 173.71 3dwt n SER 56 N -2.71 0.00 0.00 0.00 3.41 -1.21 -3.04 113.62 110.06 3dwt n SER 56 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3dwt n SER 56 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.00 0.00 0.00 4.33 2.81 -1.26 -3.60 117.12 119.40 3dwt n MET 57 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dwt n MET 57 Cb 0.00 -2.59 0.00 0.00 -0.71 0.00 0.00 33.22 29.92 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 -0.61 0.00 2.56 3.03 0.00 -1.26 -4.98 105.19 103.92 3dwt n GLY 58 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.09 3.68 -0.02 0.00 -1.17 -4.92 105.19 102.85 3dwt n GLY 59 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3dwt n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dwt n LEU 60 N -0.14 3.21 -4.18 0.99 4.32 -1.25 -4.68 117.00 115.26 3dwt n LEU 60 Ca -0.01 1.19 -0.25 0.00 -0.02 0.00 0.00 56.01 56.92 3dwt n LEU 60 Cb 0.31 -1.45 -0.15 0.00 -1.62 0.00 0.00 43.42 40.52 3dwt n LEU 60 CO 0.01 -0.60 -0.50 0.42 -1.22 0.00 0.00 177.39 175.50 3dwt s THR 61 N -0.84 1.43 0.09 -5.08 -4.23 -1.26 -0.61 115.64 105.13 3dwt s THR 61 Ca 0.59 -0.86 0.06 0.00 -1.18 0.00 0.00 61.69 60.30 3dwt s THR 61 Cb -0.61 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 3dwt s THR 61 CO 0.59 0.33 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.53 3dwt s TYR 62 N -0.52 1.46 0.04 3.99 1.51 -0.29 -4.99 117.35 118.54 3dwt s TYR 62 Ca 0.07 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3dwt s TYR 62 Cb -0.07 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 3dwt s TYR 62 CO -0.00 0.12 -0.07 0.71 -1.11 0.00 0.00 175.55 175.21 3dwt s TYR 63 N -1.32 0.61 0.76 2.71 2.02 -1.26 -1.08 117.35 119.78 3dwt s TYR 63 Ca 0.02 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.08 3dwt s TYR 63 Cb -0.09 -0.37 0.05 0.00 -0.40 0.00 0.00 41.96 41.14 3dwt s TYR 63 CO 0.03 -0.11 1.08 0.00 -1.57 0.00 0.00 175.55 174.99 3dwt s ALA 64 N -1.54 2.34 0.06 3.71 0.00 0.70 -4.85 121.76 122.17 3dwt s ALA 64 Ca -0.10 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 3dwt s ALA 64 Cb -0.09 -3.25 -0.17 0.00 0.00 0.00 0.00 23.12 19.61 3dwt s ALA 64 CO -0.00 -1.66 1.59 -0.44 0.00 0.00 0.00 175.76 175.24 3dwt h ASP 65 N -1.05 -0.07 -0.67 0.00 3.32 -1.92 -2.56 116.42 113.46 3dwt h ASP 65 Ca -0.44 -0.13 0.19 0.00 0.02 0.00 0.00 57.03 56.68 3dwt h ASP 65 Cb 1.23 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 3dwt h ASP 65 CO 0.52 0.08 0.57 0.77 -1.72 0.00 0.00 179.24 179.47 3dwt h SER 66 N -0.22 0.00 -0.01 6.45 4.64 -1.97 -2.29 113.55 120.15 3dwt h SER 66 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dwt h SER 66 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3dwt h SER 66 CO 0.01 0.00 -0.17 1.33 -0.87 0.00 0.00 176.83 177.14 3dwt n VAL 67 N -3.96 0.00 -1.95 0.95 0.24 -1.15 -4.97 118.33 107.48 3dwt n VAL 67 Ca 0.13 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.61 3dwt n VAL 67 Cb 0.82 1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 34.38 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 -1.40 4.11 0.00 7.34 2.20 -0.87 -2.03 119.74 129.10 3dwt s LYS 68 Ca 0.12 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 3dwt s LYS 68 Cb 0.10 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 3dwt s LYS 68 CO 0.26 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 3dwt n GLY 69 N 0.62 2.87 0.12 5.54 0.00 -1.26 -4.77 105.19 108.31 3dwt n GLY 69 Ca 0.02 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 3dwt n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dwt n ARG 70 N 0.00 0.57 -2.81 1.61 1.74 -1.04 -4.96 116.66 111.76 3dwt n ARG 70 Ca 0.00 0.40 -0.39 0.00 -0.77 0.00 0.00 57.85 57.09 3dwt n ARG 70 Cb 0.00 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.78 3dwt n ARG 70 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3dwt s PHE 71 N -2.46 3.89 -0.18 -1.55 0.40 -0.86 -2.68 117.98 114.54 3dwt s PHE 71 Ca -0.33 1.81 -0.03 0.00 -0.60 0.00 0.00 56.93 57.78 3dwt s PHE 71 Cb 0.10 -2.91 0.06 0.00 0.51 0.00 0.00 43.02 40.78 3dwt s PHE 71 CO 0.51 0.40 0.04 0.99 0.70 0.00 0.00 175.22 177.87 3dwt s THR 72 N -1.30 0.42 -0.01 0.64 2.01 0.54 -4.87 115.64 113.07 3dwt s THR 72 Ca 0.42 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3dwt s THR 72 Cb -0.23 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 3dwt s THR 72 CO 0.28 -0.16 0.31 -0.51 -0.69 0.00 0.00 174.62 173.86 3dwt s ILE 73 N 1.91 5.21 0.29 1.82 2.07 -1.25 -0.47 121.20 130.77 3dwt s ILE 73 Ca 0.00 0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 59.73 3dwt s ILE 73 Cb -0.16 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 38.83 3dwt s ILE 73 CO -0.08 0.50 0.38 -1.54 -1.91 0.00 0.00 174.94 172.30 3dwt n SER 74 N 1.57 -1.06 -3.67 4.50 3.41 0.49 -4.97 113.62 113.89 3dwt n SER 74 Ca -0.14 -2.59 -0.15 0.00 -0.26 0.00 0.00 58.87 55.73 3dwt n SER 74 Cb 0.53 2.01 -0.08 0.00 -0.26 0.00 0.00 64.21 66.42 3dwt n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dwt s ARG 75 N -2.71 0.82 -0.35 4.33 1.70 -1.26 -1.03 118.95 120.45 3dwt s ARG 75 Ca 0.25 -0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.50 3dwt s ARG 75 Cb -0.01 0.37 0.11 0.00 -0.57 0.00 0.00 34.95 34.85 3dwt s ARG 75 CO 0.18 -0.24 0.10 0.34 -1.08 0.00 0.00 175.30 174.60 3dwt s ASP 76 N -1.27 4.31 0.54 -2.89 -1.08 0.07 -4.98 116.67 111.36 3dwt s ASP 76 Ca -0.13 -2.02 0.30 0.00 -0.52 0.00 0.00 52.55 50.19 3dwt s ASP 76 Cb -0.03 -1.23 1.52 0.00 -1.46 0.00 0.00 42.92 41.72 3dwt s ASP 76 CO 0.06 -0.38 2.08 0.78 0.52 0.00 0.00 175.17 178.24 3dwt h ASN 77 N 7.68 0.00 -0.07 -0.34 2.35 -1.96 0.22 115.58 123.46 3dwt h ASN 77 Ca -0.08 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.49 3dwt h ASN 77 Cb 1.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 3dwt h ASN 77 CO 0.50 0.10 -0.60 0.00 -1.65 0.00 0.00 177.43 175.78 3dwt h ALA 78 N 1.90 0.56 -0.02 -0.83 0.00 -1.96 -3.07 119.26 115.83 3dwt h ALA 78 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3dwt h ALA 78 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dwt h ALA 78 CO 0.01 0.69 -0.03 1.63 0.00 0.00 0.00 179.25 181.56 3dwt n LYS 79 N -3.96 2.00 -3.73 0.00 5.02 -0.86 -4.96 118.16 111.66 3dwt n LYS 79 Ca -0.04 -1.50 -0.22 0.00 -2.02 0.00 0.00 58.31 54.53 3dwt n LYS 79 Cb 0.64 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.21 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 0.81 -1.15 -4.00 4.39 4.13 0.70 -4.82 115.26 115.32 3dwt n ASN 80 Ca 0.16 -0.84 -0.16 0.00 1.68 0.00 0.00 54.58 55.41 3dwt n ASN 80 Cb 0.50 -3.94 -0.14 0.00 -1.54 0.00 0.00 39.78 34.66 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 -3.69 0.54 -0.02 3.41 2.01 -0.66 -2.22 115.64 115.00 3dwt s THR 81 Ca 0.02 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3dwt s THR 81 Cb -0.01 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 3dwt s THR 81 CO 0.82 0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.10 3dwt s VAL 82 N -0.34 3.98 -0.01 3.82 1.01 0.32 -0.75 120.40 128.44 3dwt s VAL 82 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3dwt s VAL 82 Cb -0.04 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 3dwt s VAL 82 CO -0.00 0.44 -0.07 -0.89 0.00 0.00 0.00 175.10 174.57 3dwt s THR 83 N -1.00 0.60 -0.26 3.92 2.01 -0.19 -0.98 115.64 119.74 3dwt s THR 83 Ca 0.17 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.88 3dwt s THR 83 Cb -0.11 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 71.94 3dwt s THR 83 CO 0.07 0.18 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.90 3dwt s LEU 84 N -0.08 3.16 -0.49 4.42 2.96 -0.74 -0.38 118.68 127.52 3dwt s LEU 84 Ca 0.02 -1.39 -0.19 0.00 -0.22 0.00 0.00 54.13 52.35 3dwt s LEU 84 Cb -0.04 -1.37 0.06 0.00 0.50 0.00 0.00 46.19 45.33 3dwt s LEU 84 CO -0.00 -0.24 0.59 -1.58 -1.32 0.00 0.00 176.35 173.80 3dwt s GLN 85 N 1.23 3.11 -0.31 1.98 2.00 0.38 -1.24 119.66 126.80 3dwt s GLN 85 Ca -0.05 -0.90 -0.16 0.00 -2.00 0.00 0.00 55.36 52.25 3dwt s GLN 85 Cb -0.19 -4.09 -0.02 0.00 0.80 0.00 0.00 33.01 29.51 3dwt s GLN 85 CO -0.07 -1.17 0.44 -1.64 -0.50 0.00 0.00 175.29 172.35 3dwt s MET 86 N 2.51 3.79 -0.26 1.67 -1.94 -0.71 -0.34 119.30 124.02 3dwt s MET 86 Ca 0.14 -0.09 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 3dwt s MET 86 Cb -0.19 -3.74 -0.12 0.00 2.01 0.00 0.00 34.83 32.79 3dwt s MET 86 CO 0.12 -0.46 -0.28 0.09 -0.01 0.00 0.00 175.02 174.48 3dwt n ASN 87 N 5.51 1.94 -3.48 3.03 3.02 -1.09 -2.34 115.26 121.85 3dwt n ASN 87 Ca -0.07 0.36 -0.35 0.00 -0.03 0.00 0.00 54.58 54.48 3dwt n ASN 87 Cb 0.50 -0.83 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 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 -4.30 5.90 -4.62 6.41 2.85 -1.26 -3.88 115.26 116.35 3dwt n ASN 88 Ca -0.47 -3.61 -0.46 0.00 -0.11 0.00 0.00 54.58 49.93 3dwt n ASN 88 Cb 0.81 -0.95 -0.03 0.00 1.24 0.00 0.00 39.78 40.86 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 0.26 2.22 -4.34 1.20 4.77 -1.13 -4.62 117.00 115.36 3dwt n LEU 89 Ca 0.36 1.15 -0.20 0.00 -0.03 0.00 0.00 56.01 57.29 3dwt n LEU 89 Cb 0.33 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.00 3dwt n LEU 89 CO 0.49 -1.01 -0.46 -0.54 -1.33 0.00 0.00 177.39 174.54 3dwt s LYS 90 N -0.71 1.29 0.54 3.23 1.02 -1.26 -0.68 119.74 123.17 3dwt s LYS 90 Ca 0.68 -1.48 0.36 0.00 0.02 0.00 0.00 55.97 55.55 3dwt s LYS 90 Cb -0.74 -1.25 1.54 0.00 -0.52 0.00 0.00 37.83 36.87 3dwt s LYS 90 CO 0.53 0.24 1.82 -1.35 -0.92 0.00 0.00 175.35 175.67 3dwt h PRO 91 N 2.98 0.01 0.00 -1.68 0.11 -1.93 0.39 132.00 131.88 3dwt h PRO 91 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3dwt h PRO 91 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dwt h PRO 91 CO 0.55 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.40 3dwt h GLU 92 N 0.01 0.00 0.00 1.05 9.09 -1.96 -1.30 114.58 121.47 3dwt h GLU 92 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 3dwt h GLU 92 Cb 2.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.29 3dwt h GLU 92 CO -0.01 0.00 -0.26 -0.44 0.05 0.00 0.00 179.01 178.35 3dwt h ASP 93 N 0.00 0.00 -2.19 3.06 3.45 -0.60 -3.46 116.42 116.68 3dwt h ASP 93 Ca 0.00 -0.07 -0.58 0.00 0.43 0.00 0.00 57.03 56.82 3dwt h ASP 93 Cb 0.29 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3dwt h ASP 93 CO 0.00 0.03 1.14 0.41 -1.57 0.00 0.00 179.24 179.26 3dwt n THR 94 N -2.38 0.62 0.00 0.35 -1.04 -0.49 -4.85 114.28 106.49 3dwt n THR 94 Ca 0.04 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3dwt n THR 94 Cb 0.46 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 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 6.81 0.00 -2.66 2.41 0.00 -0.32 -4.65 120.51 122.10 3dwt n ALA 95 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3dwt n ALA 95 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 5.17 -0.21 0.00 2.07 -1.09 -1.67 121.20 123.47 3dwt s ILE 96 Ca 0.00 0.77 -0.12 0.00 -1.41 0.00 0.00 60.65 59.89 3dwt s ILE 96 Cb 0.00 -3.76 -0.05 0.00 0.13 0.00 0.00 42.46 38.78 3dwt s ILE 96 CO 0.00 0.22 0.23 -0.31 -1.91 0.00 0.00 174.94 173.16 3dwt s TYR 97 N 1.50 3.38 0.01 3.50 1.51 0.44 -1.46 117.35 126.24 3dwt s TYR 97 Ca 0.20 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 3dwt s TYR 97 Cb -0.15 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 3dwt s TYR 97 CO 0.09 0.13 0.06 0.71 -1.11 0.00 0.00 175.55 175.43 3dwt s TYR 98 N 0.84 3.20 0.07 2.71 2.02 0.83 -1.21 117.35 125.82 3dwt s TYR 98 Ca 0.12 0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 56.93 3dwt s TYR 98 Cb -0.13 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 3dwt s TYR 98 CO 0.04 0.52 0.27 0.00 -1.57 0.00 0.00 175.55 174.81 3dwt s ALA 100 N -1.49 -0.91 0.06 0.00 0.00 -0.81 -0.76 121.76 117.84 3dwt s ALA 100 Ca 0.34 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 3dwt s ALA 100 Cb -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3dwt s ALA 100 CO 0.23 -0.26 0.10 0.00 0.00 0.00 0.00 175.76 175.83 3dwt s ALA 101 N -1.02 0.02 -0.28 0.00 0.00 0.42 -1.73 121.76 119.18 3dwt s ALA 101 Ca -0.11 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 3dwt s ALA 101 Cb -0.04 0.32 0.09 0.00 0.00 0.00 0.00 23.12 23.49 3dwt s ALA 101 CO 0.04 -0.39 0.80 0.54 0.00 0.00 0.00 175.76 176.75 3dwt s VAL 102 N -3.27 0.00 -0.88 0.00 0.11 -0.90 -0.86 120.40 114.59 3dwt s VAL 102 Ca 0.01 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.81 3dwt s VAL 102 Cb 0.03 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3dwt s VAL 102 CO -0.08 0.00 1.63 -0.13 -3.33 0.00 0.00 175.10 173.19 3dwt s ARG 103 N 0.73 3.08 0.00 1.54 0.52 -1.26 -1.05 118.95 122.51 3dwt s ARG 103 Ca -0.02 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 3dwt s ARG 103 Cb -0.05 -4.94 0.00 0.00 0.52 0.00 0.00 34.95 30.48 3dwt s ARG 103 CO -0.07 -2.63 0.00 0.41 0.02 0.00 0.00 175.30 173.04 3dwt n GLY 104 N 6.46 0.81 3.22 -3.53 0.00 -1.16 -4.99 105.19 106.01 3dwt n GLY 104 Ca 0.28 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.74 -0.13 0.11 1.61 5.04 -1.26 -3.97 117.35 116.00 3dwt s TYR 105 Ca 0.00 0.15 -0.20 0.00 -2.44 0.00 0.00 57.07 54.58 3dwt s TYR 105 Cb 0.00 0.07 0.05 0.00 0.35 0.00 0.00 41.96 42.43 3dwt s TYR 105 CO 0.00 -0.39 0.51 -0.59 -1.34 0.00 0.00 175.55 173.73 3dwt s PHE 106 N -1.56 -0.39 -0.21 4.97 -0.12 -1.26 -5.07 117.98 114.35 3dwt s PHE 106 Ca -0.12 0.23 0.12 0.00 -0.05 0.00 0.00 56.93 57.10 3dwt s PHE 106 Cb -0.05 0.38 0.41 0.00 -0.63 0.00 0.00 43.02 43.14 3dwt s PHE 106 CO 0.03 -0.73 1.24 -1.33 -0.05 0.00 0.00 175.22 174.38 3dwt n MET 107 N -0.07 1.60 -3.65 1.99 2.81 -1.26 -4.78 117.12 113.76 3dwt n MET 107 Ca -0.17 -3.17 -0.10 0.00 -1.81 0.00 0.00 57.70 52.44 3dwt n MET 107 Cb 0.63 -1.63 -0.05 0.00 -0.71 0.00 0.00 33.22 31.46 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 -3.18 1.05 -0.38 0.03 3.00 -1.26 -5.08 118.95 113.13 3dwt s ARG 108 Ca 0.38 -0.71 -0.27 0.00 0.00 0.00 0.00 55.73 55.13 3dwt s ARG 108 Cb 0.36 0.46 -0.04 0.00 0.00 0.00 0.00 34.95 35.73 3dwt s ARG 108 CO -0.04 -0.40 2.05 -1.17 0.00 0.00 0.00 175.30 175.73 3dwt s LEU 109 N -2.78 3.43 0.00 2.53 1.98 -1.26 -4.94 118.68 117.64 3dwt s LEU 109 Ca 0.03 1.25 -0.13 0.00 -2.89 0.00 0.00 54.13 52.39 3dwt s LEU 109 Cb 0.02 -3.14 0.20 0.00 0.66 0.00 0.00 46.19 43.93 3dwt s LEU 109 CO -0.12 -2.13 0.48 -0.81 -1.89 0.00 0.00 176.35 171.88 3dwt n PRO 110 N 8.77 -3.34 -4.58 0.98 -0.04 -1.26 -5.09 135.00 130.43 3dwt n PRO 110 Ca 0.27 -0.80 -0.27 0.00 -0.04 0.00 0.00 63.50 62.66 3dwt n PRO 110 Cb 0.49 -0.99 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 3dwt n PRO 110 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dwt s SER 111 N -2.66 3.31 0.60 3.54 1.04 -1.26 -4.80 113.70 113.47 3dwt s SER 111 Ca 0.36 -1.48 0.31 0.00 0.48 0.00 0.00 55.95 55.61 3dwt s SER 111 Cb -0.06 0.04 1.80 0.00 0.10 0.00 0.00 66.02 67.91 3dwt s SER 111 CO 0.30 -0.66 2.18 0.77 0.98 0.00 0.00 173.24 176.81 3dwt h SER 112 N 1.78 0.00 0.96 7.02 4.64 -1.96 -1.85 113.55 124.14 3dwt h SER 112 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3dwt h SER 112 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3dwt h SER 112 CO 0.72 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 178.09 3dwt n HIS 113 N -3.71 0.06 1.00 4.77 8.25 -1.26 -3.08 115.22 121.25 3dwt n HIS 113 Ca -0.01 0.02 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 3dwt n HIS 113 Cb 0.20 -0.53 0.31 0.00 1.12 0.00 0.00 29.99 31.09 3dwt n HIS 113 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3dwt n ASN 114 N -1.55 0.42 -4.80 0.41 3.02 -0.70 -4.90 115.26 107.17 3dwt n ASN 114 Ca 0.06 -0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.17 3dwt n ASN 114 Cb 0.32 0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 3dwt n ASN 114 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dwt s PHE 115 N -3.00 3.28 -0.23 3.10 0.40 -1.18 -4.82 117.98 115.53 3dwt s PHE 115 Ca 0.11 0.15 -0.16 0.00 -0.60 0.00 0.00 56.93 56.43 3dwt s PHE 115 Cb 0.18 -1.68 -0.10 0.00 0.51 0.00 0.00 43.02 41.93 3dwt s PHE 115 CO 0.67 0.54 -0.28 -2.13 0.70 0.00 0.00 175.22 174.72 3dwt n ARG 116 N 0.63 0.56 -3.75 0.44 0.63 -0.73 -4.99 116.66 109.45 3dwt n ARG 116 Ca -0.09 0.30 -0.37 0.00 -0.92 0.00 0.00 57.85 56.77 3dwt n ARG 116 Cb 0.52 -1.51 -0.06 0.00 0.45 0.00 0.00 32.46 31.85 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 -2.61 3.57 0.12 -0.14 4.12 -0.04 -4.97 117.35 117.40 3dwt s TYR 117 Ca -0.33 0.58 0.05 0.00 0.02 0.00 0.00 57.07 57.39 3dwt s TYR 117 Cb 0.10 -2.08 -0.04 0.00 -1.52 0.00 0.00 41.96 38.41 3dwt s TYR 117 CO 0.46 0.58 -0.12 -1.58 0.02 0.00 0.00 175.55 174.92 3dwt s TRP 118 N -0.61 1.25 0.78 2.71 0.52 -1.26 -0.43 118.94 121.90 3dwt s TRP 118 Ca 0.15 -0.62 -0.04 0.00 0.02 0.00 0.00 56.10 55.62 3dwt s TRP 118 Cb -0.13 -0.66 0.15 0.00 -1.15 0.00 0.00 33.47 31.69 3dwt s TRP 118 CO 0.04 0.08 1.07 0.20 0.02 0.00 0.00 176.95 178.37 3dwt s GLY 119 N -2.55 1.76 0.00 0.98 0.00 0.06 -4.43 107.32 103.15 3dwt s GLY 119 Ca 0.09 -1.70 0.27 0.00 0.00 0.00 0.00 44.72 43.37 3dwt s GLY 119 CO 0.02 -1.06 1.62 -1.06 0.00 0.00 0.00 173.10 172.61 3dwt n GLN 120 N -3.05 0.12 0.00 2.90 1.13 -1.26 -4.71 117.38 112.51 3dwt n GLN 120 Ca 0.16 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 3dwt n GLN 120 Cb 0.60 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 1.47 2.30 2.94 1.08 0.00 -1.26 -5.04 105.19 106.67 3dwt n GLY 121 Ca 0.07 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.89 -0.24 0.10 2.61 2.01 -0.35 -4.87 115.64 112.01 3dwt s THR 122 Ca 0.00 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3dwt s THR 122 Cb 0.00 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 72.10 3dwt s THR 122 CO 0.00 0.11 1.19 -1.58 -0.69 0.00 0.00 174.62 173.65 3dwt s GLN 123 N 1.97 4.46 -0.11 4.92 2.00 -1.26 -0.42 119.66 131.22 3dwt s GLN 123 Ca -0.02 1.78 -0.00 0.00 -2.00 0.00 0.00 55.36 55.12 3dwt s GLN 123 Cb -0.12 -3.32 0.03 0.00 0.80 0.00 0.00 33.01 30.40 3dwt s GLN 123 CO -0.07 -0.18 -0.07 0.08 -0.50 0.00 0.00 175.29 174.55 3dwt s VAL 124 N 0.69 0.99 -0.16 1.34 1.01 -0.67 -1.66 120.40 121.94 3dwt s VAL 124 Ca 0.56 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3dwt s VAL 124 Cb -0.30 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3dwt s VAL 124 CO 0.31 0.35 -0.16 -0.89 0.00 0.00 0.00 175.10 174.70 3dwt s THR 125 N 1.72 1.75 -0.14 3.92 2.01 -0.16 -1.18 115.64 123.55 3dwt s THR 125 Ca 0.05 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 3dwt s THR 125 Cb -0.13 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 3dwt s THR 125 CO -0.08 0.49 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.57 3dwt s VAL 126 N 1.37 3.54 0.11 3.82 1.01 -1.26 0.57 120.40 129.57 3dwt s VAL 126 Ca 0.04 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.59 3dwt s VAL 126 Cb -0.13 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3dwt s VAL 126 CO -0.11 0.51 -0.14 -0.94 0.00 0.00 0.00 175.10 174.43 3dwt s SER 127 N 0.33 1.87 1.32 3.32 1.04 -0.67 -4.41 113.70 116.51 3dwt s SER 127 Ca -0.07 -0.77 -0.20 0.00 0.48 0.00 0.00 55.95 55.39 3dwt s SER 127 Cb -0.15 -0.06 0.32 0.00 0.10 0.00 0.00 66.02 66.23 3dwt s SER 127 CO 0.04 -0.14 0.75 -0.24 0.98 0.00 0.00 173.24 174.63 3dwt n SER 128 N 0.68 -3.46 0.00 7.02 2.88 -1.26 -0.76 113.62 118.72 3dwt n SER 128 Ca -0.17 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 3dwt n SER 128 Cb 0.56 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 3dwt n SER 128 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67