#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x6m s GLN 3 N 0.00 0.17 -0.02 1.61 0.74 -0.62 -4.95 119.66 116.59 2x6m s GLN 3 Ca 0.00 -0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.36 2x6m s GLN 3 Cb 0.00 0.07 -0.00 0.00 1.10 0.00 0.00 33.01 34.18 2x6m s GLN 3 CO 0.00 -0.03 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.09 2x6m s LEU 4 N -0.38 1.92 -0.10 3.68 1.43 -1.26 -0.86 118.68 123.12 2x6m s LEU 4 Ca -0.04 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2x6m s LEU 4 Cb -0.03 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.59 2x6m s LEU 4 CO 0.00 0.12 -0.02 -0.69 0.23 0.00 0.00 176.35 175.99 2x6m s VAL 5 N -0.07 0.61 0.18 -1.59 1.01 -0.57 -4.10 120.40 115.87 2x6m s VAL 5 Ca 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 2x6m s VAL 5 Cb -0.07 -0.75 -0.08 0.00 0.00 0.00 0.00 36.38 35.48 2x6m s VAL 5 CO 0.00 0.25 0.64 -1.61 0.00 0.00 0.00 175.10 174.38 2x6m s GLU 6 N 1.87 4.12 0.18 2.72 8.01 -1.26 -1.07 118.70 133.27 2x6m s GLU 6 Ca 0.04 0.68 -0.01 0.00 0.01 0.00 0.00 54.97 55.70 2x6m s GLU 6 Cb -0.13 -2.91 -0.04 0.00 -4.31 0.00 0.00 34.13 26.74 2x6m s GLU 6 CO -0.06 0.44 0.09 -1.12 0.01 0.00 0.00 175.26 174.62 2x6m s SER 7 N -1.68 0.33 0.00 -0.19 0.01 0.02 -4.82 113.70 107.37 2x6m s SER 7 Ca 0.40 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2x6m s SER 7 Cb -0.16 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2x6m s SER 7 CO 0.20 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2x6m n GLY 8 N -0.21 0.44 3.71 3.44 0.00 -1.26 -0.89 105.19 110.42 2x6m n GLY 8 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2x6m n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x6m s GLY 9 N -1.39 1.62 0.00 -0.02 0.00 -1.26 -4.56 107.32 101.70 2x6m s GLY 9 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 2x6m s GLY 9 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.17 2x6m n GLY 10 N -1.00 -1.07 2.94 0.20 0.00 -0.78 -4.98 105.19 100.50 2x6m n GLY 10 Ca 0.07 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2x6m n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x6m s SER 11 N -4.00 3.60 0.42 1.61 0.15 -1.26 -1.24 113.70 112.98 2x6m s SER 11 Ca 0.00 -1.03 0.04 0.00 0.70 0.00 0.00 55.95 55.65 2x6m s SER 11 Cb 0.00 -1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.14 2x6m s SER 11 CO 0.00 -0.21 0.12 0.68 1.20 0.00 0.00 173.24 175.03 2x6m s VAL 12 N 1.43 0.63 0.13 4.45 -7.23 0.15 -4.99 120.40 114.97 2x6m s VAL 12 Ca -0.04 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2x6m s VAL 12 Cb -0.18 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2x6m s VAL 12 CO -0.07 0.00 0.01 -1.10 -0.31 0.00 0.00 175.10 173.63 2x6m s GLN 13 N -3.71 2.51 0.34 4.82 -0.21 -1.26 -1.27 119.66 120.88 2x6m s GLN 13 Ca 0.21 -0.94 -0.27 0.00 0.02 0.00 0.00 55.36 54.39 2x6m s GLN 13 Cb 0.02 -2.48 -0.13 0.00 1.00 0.00 0.00 33.01 31.43 2x6m s GLN 13 CO 0.13 0.50 1.02 0.00 -2.12 0.00 0.00 175.29 174.83 2x6m n ALA 14 N 0.24 0.01 0.00 6.09 0.00 0.30 -1.33 120.51 125.81 2x6m n ALA 14 Ca -0.10 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2x6m n ALA 14 Cb 0.53 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2x6m n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x6m n GLY 15 N 1.18 3.16 0.00 0.00 0.00 0.86 -4.96 105.19 105.44 2x6m n GLY 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2x6m n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x6m n GLY 16 N -1.56 -1.21 3.21 -0.02 0.00 -0.44 -3.93 105.19 101.22 2x6m n GLY 16 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2x6m n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x6m s SER 17 N -1.03 1.48 -0.10 1.61 0.01 -1.26 -1.41 113.70 112.99 2x6m s SER 17 Ca 0.00 -0.98 -0.13 0.00 1.31 0.00 0.00 55.95 56.15 2x6m s SER 17 Cb 0.00 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.30 2x6m s SER 17 CO 0.00 -0.37 0.34 -0.22 0.41 0.00 0.00 173.24 173.40 2x6m s LEU 18 N -3.00 0.69 -0.24 2.44 2.96 -0.36 -5.01 118.68 116.16 2x6m s LEU 18 Ca 0.13 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.56 2x6m s LEU 18 Cb 0.03 1.24 0.02 0.00 0.50 0.00 0.00 46.19 47.98 2x6m s LEU 18 CO -0.02 -0.22 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.13 2x6m s ARG 19 N -0.25 2.85 0.19 1.98 3.52 -1.26 -0.48 118.95 125.51 2x6m s ARG 19 Ca -0.04 -0.96 -0.11 0.00 -0.13 0.00 0.00 55.73 54.49 2x6m s ARG 19 Cb -0.03 -2.96 -0.07 0.00 -1.56 0.00 0.00 34.95 30.33 2x6m s ARG 19 CO 0.02 -0.38 0.54 -0.51 -0.81 0.00 0.00 175.30 174.15 2x6m s LEU 20 N 1.32 4.24 0.15 -0.88 1.43 0.43 -4.57 118.68 120.81 2x6m s LEU 20 Ca 0.00 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 2x6m s LEU 20 Cb -0.16 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2x6m s LEU 20 CO -0.05 0.00 -0.17 -0.94 0.23 0.00 0.00 176.35 175.42 2x6m s SER 21 N -2.10 2.49 -0.19 2.29 1.04 -0.06 -0.96 113.70 116.21 2x6m s SER 21 Ca 0.43 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 2x6m s SER 21 Cb -0.13 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.92 2x6m s SER 21 CO 0.20 -0.07 0.01 0.00 0.98 0.00 0.00 173.24 174.36 2x6m s ALA 23 N 1.76 3.60 0.18 0.00 0.00 -0.23 -1.01 121.76 126.06 2x6m s ALA 23 Ca -0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 2x6m s ALA 23 Cb -0.17 -2.96 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2x6m s ALA 23 CO -0.07 -0.78 0.55 0.00 0.00 0.00 0.00 175.76 175.45 2x6m s ALA 24 N 2.40 3.57 0.06 0.00 0.00 -0.80 -1.52 121.76 125.48 2x6m s ALA 24 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2x6m s ALA 24 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2x6m s ALA 24 CO 0.09 0.47 -0.05 0.45 0.00 0.00 0.00 175.76 176.72 2x6m s SER 25 N -1.97 0.74 0.00 0.00 0.15 -0.04 -4.91 113.70 107.67 2x6m s SER 25 Ca 0.42 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2x6m s SER 25 Cb -0.13 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2x6m s SER 25 CO 0.20 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2x6m n GLY 26 N 0.44 1.57 3.94 9.45 0.00 -1.26 -1.59 105.19 117.74 2x6m n GLY 26 Ca -0.16 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2x6m n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x6m s ILE 27 N 0.00 4.88 -0.48 -0.61 -4.36 -1.26 -4.78 121.20 114.59 2x6m s ILE 27 Ca 0.00 -0.41 -0.15 0.00 -0.26 0.00 0.00 60.65 59.83 2x6m s ILE 27 Cb 0.00 -3.79 0.09 0.00 1.25 0.00 0.00 42.46 40.01 2x6m s ILE 27 CO 0.00 -0.54 0.40 -0.62 0.24 0.00 0.00 174.94 174.42 2x6m s ASP 28 N -4.08 6.09 0.61 4.36 2.15 -1.26 -4.90 116.67 119.65 2x6m s ASP 28 Ca 0.42 -1.45 0.40 0.00 0.43 0.00 0.00 52.55 52.35 2x6m s ASP 28 Cb -0.10 -2.17 2.01 0.00 -0.30 0.00 0.00 42.92 42.36 2x6m s ASP 28 CO 0.37 -0.68 2.21 0.77 -0.17 0.00 0.00 175.17 177.67 2x6m h SER 29 N 8.74 0.00 0.47 -0.34 4.64 -1.93 -0.55 113.55 124.58 2x6m h SER 29 Ca -0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 2x6m h SER 29 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2x6m h SER 29 CO 0.90 0.00 -0.15 0.77 -0.87 0.00 0.00 176.83 177.48 2x6m h SER 30 N 0.00 0.00 1.48 4.97 4.64 -1.92 -2.58 113.55 120.14 2x6m h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x6m h SER 30 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2x6m h SER 30 CO 0.00 0.15 -0.45 0.28 -0.87 0.00 0.00 176.83 175.94 2x6m h SER 31 N 0.00 0.00 -3.29 4.97 0.02 -1.45 0.19 113.55 114.00 2x6m h SER 31 Ca -0.00 -0.02 -0.64 0.00 -0.84 0.00 0.00 61.79 60.29 2x6m h SER 31 Cb 0.43 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.83 2x6m h SER 31 CO 0.02 0.01 -0.72 -0.31 -1.14 0.00 0.00 176.83 174.69 2x6m s TYR 32 N -3.26 2.75 -0.16 3.45 2.02 -0.97 -1.39 117.35 119.78 2x6m s TYR 32 Ca 0.04 -0.16 -0.29 0.00 -0.37 0.00 0.00 57.07 56.29 2x6m s TYR 32 Cb 0.08 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 2x6m s TYR 32 CO 0.72 0.47 1.67 0.00 -1.57 0.00 0.00 175.55 176.83 2x6m s MET 34 N 4.54 2.73 0.11 0.00 1.00 -0.66 -1.49 119.30 125.53 2x6m s MET 34 Ca 0.74 -0.65 -0.02 0.00 0.00 0.00 0.00 55.69 55.77 2x6m s MET 34 Cb -0.28 -2.63 -0.04 0.00 0.00 0.00 0.00 34.83 31.88 2x6m s MET 34 CO 0.30 0.61 0.05 0.20 0.00 0.00 0.00 175.02 176.18 2x6m s GLY 35 N -1.59 0.83 -0.06 -0.03 0.00 0.47 -0.82 107.32 106.11 2x6m s GLY 35 Ca 0.20 -1.36 0.06 0.00 0.00 0.00 0.00 44.72 43.61 2x6m s GLY 35 CO 0.10 -1.31 -0.24 -0.98 0.00 0.00 0.00 173.10 170.67 2x6m s TRP 36 N -4.01 2.47 0.32 1.90 0.52 0.19 -0.75 118.94 119.58 2x6m s TRP 36 Ca 0.20 -0.73 0.07 0.00 0.02 0.00 0.00 56.10 55.66 2x6m s TRP 36 Cb 0.07 -1.61 -0.06 0.00 -1.15 0.00 0.00 33.47 30.71 2x6m s TRP 36 CO -0.01 -0.22 -0.05 -0.06 0.02 0.00 0.00 176.95 176.63 2x6m s PHE 37 N -0.13 2.19 0.05 -1.98 0.08 0.49 -0.79 117.98 117.88 2x6m s PHE 37 Ca -0.04 -0.66 -0.05 0.00 0.12 0.00 0.00 56.93 56.30 2x6m s PHE 37 Cb -0.14 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.97 2x6m s PHE 37 CO 0.04 0.38 0.07 -0.98 -0.10 0.00 0.00 175.22 174.63 2x6m s ARG 38 N -3.70 0.61 -0.29 0.44 1.70 -0.17 -0.39 118.95 117.14 2x6m s ARG 38 Ca 0.32 -0.88 0.01 0.00 -0.47 0.00 0.00 55.73 54.71 2x6m s ARG 38 Cb 0.05 0.23 0.09 0.00 -0.57 0.00 0.00 34.95 34.75 2x6m s ARG 38 CO 0.15 -0.15 0.03 -1.14 -1.08 0.00 0.00 175.30 173.10 2x6m s GLN 39 N -3.02 1.29 0.61 3.89 -0.44 0.22 -0.66 119.66 121.55 2x6m s GLN 39 Ca -0.01 -1.31 -0.15 0.00 -2.50 0.00 0.00 55.36 51.39 2x6m s GLN 39 Cb 0.01 -2.61 -0.03 0.00 -1.64 0.00 0.00 33.01 28.75 2x6m s GLN 39 CO -0.07 -0.83 1.06 1.03 0.50 0.00 0.00 175.29 176.98 2x6m s ARG 40 N 1.30 3.24 0.04 1.67 0.52 -1.26 -1.85 118.95 122.62 2x6m s ARG 40 Ca 0.05 1.19 -0.34 0.00 -0.52 0.00 0.00 55.73 56.10 2x6m s ARG 40 Cb -0.18 -2.02 -0.13 0.00 0.52 0.00 0.00 34.95 33.13 2x6m s ARG 40 CO -0.13 -0.87 1.70 -2.30 0.02 0.00 0.00 175.30 173.72 2x6m n PRO 41 N -2.18 2.09 -1.47 3.54 -0.02 -1.26 -0.87 135.00 134.83 2x6m n PRO 41 Ca 0.09 0.76 -0.16 0.00 -2.02 0.00 0.00 63.50 62.17 2x6m n PRO 41 Cb 0.53 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 2x6m n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x6m n GLY 42 N 3.81 1.62 3.39 -1.23 0.00 -1.26 -5.00 105.19 106.52 2x6m n GLY 42 Ca 0.20 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2x6m n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6m s LYS 43 N -3.36 1.44 0.60 1.61 -0.14 -0.05 -5.14 119.74 114.70 2x6m s LYS 43 Ca 0.00 -1.57 -0.18 0.00 -1.36 0.00 0.00 55.97 52.86 2x6m s LYS 43 Cb 0.00 -1.50 -0.03 0.00 -1.68 0.00 0.00 37.83 34.62 2x6m s LYS 43 CO 0.00 0.29 1.14 -1.83 -0.76 0.00 0.00 175.35 174.19 2x6m s GLU 44 N -3.16 3.04 0.37 1.68 1.03 -1.26 -4.34 118.70 116.06 2x6m s GLU 44 Ca 0.22 1.58 -0.28 0.00 0.03 0.00 0.00 54.97 56.52 2x6m s GLU 44 Cb -0.05 -1.96 -0.11 0.00 -0.80 0.00 0.00 34.13 31.21 2x6m s GLU 44 CO 0.10 -1.10 1.48 0.50 -1.33 0.00 0.00 175.26 174.91 2x6m s ARG 45 N -3.59 4.13 0.04 -4.83 3.52 -1.26 -4.59 118.95 112.37 2x6m s ARG 45 Ca 0.72 2.55 0.01 0.00 -0.13 0.00 0.00 55.73 58.87 2x6m s ARG 45 Cb -0.24 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 2x6m s ARG 45 CO 0.34 -0.51 -0.06 -1.83 -0.81 0.00 0.00 175.30 172.42 2x6m s GLU 46 N -1.95 0.48 0.54 5.12 -1.05 0.16 -4.97 118.70 117.04 2x6m s GLU 46 Ca 0.53 -0.77 -0.20 0.00 -0.15 0.00 0.00 54.97 54.37 2x6m s GLU 46 Cb -0.46 -0.12 -0.05 0.00 -0.44 0.00 0.00 34.13 33.06 2x6m s GLU 46 CO 0.61 0.00 1.21 0.20 0.95 0.00 0.00 175.26 178.24 2x6m s GLY 47 N -1.72 2.77 0.07 -3.83 0.00 -1.26 -1.00 107.32 102.34 2x6m s GLY 47 Ca -0.10 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2x6m s GLY 47 CO -0.01 1.46 0.00 -0.62 0.00 0.00 0.00 173.10 173.93 2x6m n VAL 48 N -1.16 0.56 -3.66 1.40 0.31 0.03 -4.52 118.33 111.28 2x6m n VAL 48 Ca 0.11 0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 64.51 2x6m n VAL 48 Cb 0.48 -1.40 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 2x6m n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2x6m s ALA 49 N -2.00 -0.92 0.08 3.52 0.00 -0.73 -1.00 121.76 120.70 2x6m s ALA 49 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 2x6m s ALA 49 Cb 0.00 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2x6m s ALA 49 CO 0.00 -0.55 0.30 -0.98 0.00 0.00 0.00 175.76 174.53 2x6m s ARG 50 N -3.21 0.89 -0.00 0.00 1.70 -0.04 -0.64 118.95 117.65 2x6m s ARG 50 Ca -0.01 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2x6m s ARG 50 Cb 0.01 0.38 -0.00 0.00 -0.57 0.00 0.00 34.95 34.77 2x6m s ARG 50 CO -0.08 -0.30 -0.04 -1.50 -1.08 0.00 0.00 175.30 172.30 2x6m s ILE 51 N -3.20 0.29 0.65 4.99 2.07 -0.00 -1.17 121.20 124.82 2x6m s ILE 51 Ca -0.00 -0.14 -0.18 0.00 -1.41 0.00 0.00 60.65 58.91 2x6m s ILE 51 Cb 0.01 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 2x6m s ILE 51 CO -0.07 0.09 1.16 0.59 -1.91 0.00 0.00 174.94 174.79 2x6m n ASN 52 N 3.06 1.47 -2.29 4.50 3.02 -0.71 -1.66 115.26 122.65 2x6m n ASN 52 Ca -0.14 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 2x6m n ASN 52 Cb 0.58 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 2x6m n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x6m n GLY 53 N 1.05 -0.25 3.81 7.41 0.00 -0.77 -3.88 105.19 112.55 2x6m n GLY 53 Ca 0.15 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2x6m n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x6m n LEU 54 N 0.00 -1.97 -0.52 0.99 4.77 -0.49 -0.98 117.00 118.80 2x6m n LEU 54 Ca 0.00 -0.71 -0.07 0.00 -0.03 0.00 0.00 56.01 55.20 2x6m n LEU 54 Cb 0.00 -2.29 -0.03 0.00 -2.33 0.00 0.00 43.42 38.77 2x6m n LEU 54 CO 0.00 0.31 -0.07 0.61 -1.33 0.00 0.00 177.39 176.91 2x6m n GLY 55 N -1.43 0.84 3.73 -0.72 0.00 0.66 -4.97 105.19 103.29 2x6m n GLY 55 Ca 0.03 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2x6m n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x6m s GLY 56 N -2.50 1.66 0.00 -0.02 0.00 -0.15 -4.98 107.32 101.33 2x6m s GLY 56 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 44.72 45.00 2x6m s GLY 56 CO 0.00 0.66 0.43 3.33 0.00 0.00 0.00 173.10 177.52 2x6m n VAL 57 N -3.78 0.00 -2.92 1.40 0.24 -1.26 -4.69 118.33 107.32 2x6m n VAL 57 Ca 0.09 -0.48 -0.34 0.00 -2.04 0.00 0.00 64.34 61.57 2x6m n VAL 57 Cb 0.53 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.88 2x6m n VAL 57 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2x6m s LYS 58 N -0.55 4.23 0.17 7.34 1.02 -1.26 -4.90 119.74 125.79 2x6m s LYS 58 Ca 0.02 1.01 0.02 0.00 0.02 0.00 0.00 55.97 57.05 2x6m s LYS 58 Cb 0.02 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 2x6m s LYS 58 CO 0.06 0.10 -0.01 0.95 -0.92 0.00 0.00 175.35 175.52 2x6m s THR 59 N -1.99 0.77 0.05 2.17 -4.23 -1.26 -1.74 115.64 109.41 2x6m s THR 59 Ca 0.57 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 2x6m s THR 59 Cb -0.11 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 2x6m s THR 59 CO 0.16 -0.51 0.08 0.00 -0.54 0.00 0.00 174.62 173.81 2x6m s ALA 60 N -3.59 0.06 0.01 3.99 0.00 -0.32 -4.99 121.76 116.92 2x6m s ALA 60 Ca 0.23 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2x6m s ALA 60 Cb 0.06 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 2x6m s ALA 60 CO 0.04 -0.38 0.02 0.71 0.00 0.00 0.00 175.76 176.14 2x6m s TYR 61 N -3.31 0.16 0.42 0.00 2.02 -1.26 -0.86 117.35 114.51 2x6m s TYR 61 Ca 0.01 -0.33 -0.26 0.00 -0.37 0.00 0.00 57.07 56.12 2x6m s TYR 61 Cb 0.03 -0.12 -0.09 0.00 -0.40 0.00 0.00 41.96 41.38 2x6m s TYR 61 CO -0.08 -0.18 1.43 0.00 -1.57 0.00 0.00 175.55 175.15 2x6m s ALA 62 N -1.19 3.36 0.39 3.71 0.00 -0.17 -4.85 121.76 123.01 2x6m s ALA 62 Ca -0.13 1.47 0.15 0.00 0.00 0.00 0.00 51.96 53.45 2x6m s ALA 62 Cb -0.08 -3.58 1.01 0.00 0.00 0.00 0.00 23.12 20.47 2x6m s ALA 62 CO -0.00 -1.09 1.81 -0.44 0.00 0.00 0.00 175.76 176.04 2x6m h ASP 63 N 2.63 0.51 0.43 0.00 5.19 -1.93 -1.63 116.42 121.61 2x6m h ASP 63 Ca -0.51 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 55.96 2x6m h ASP 63 Cb 1.25 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 2x6m h ASP 63 CO 0.62 0.17 -0.04 0.77 -3.12 0.00 0.00 179.24 177.65 2x6m h SER 64 N 0.49 0.00 -0.01 6.45 4.64 -1.96 -3.01 113.55 120.14 2x6m h SER 64 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2x6m h SER 64 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2x6m h SER 64 CO -0.26 0.04 0.00 1.33 -0.87 0.00 0.00 176.83 177.07 2x6m n VAL 65 N -3.27 0.17 -1.93 0.95 0.24 -0.66 -4.99 118.33 108.83 2x6m n VAL 65 Ca -0.02 -0.58 -0.40 0.00 -2.04 0.00 0.00 64.34 61.30 2x6m n VAL 65 Cb 0.20 0.95 -0.00 0.00 -1.47 0.00 0.00 33.84 33.51 2x6m n VAL 65 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2x6m s LYS 66 N -0.29 4.00 0.00 7.34 2.36 -0.91 -1.37 119.74 130.87 2x6m s LYS 66 Ca 0.02 2.34 0.00 0.00 -2.55 0.00 0.00 55.97 55.79 2x6m s LYS 66 Cb 0.02 -2.85 0.00 0.00 -1.05 0.00 0.00 37.83 33.95 2x6m s LYS 66 CO 0.02 -0.53 0.00 -0.25 1.55 0.00 0.00 175.35 176.14 2x6m n ASP 67 N 0.26 0.00 -0.10 1.43 8.00 -1.26 -4.69 116.55 120.18 2x6m n ASP 67 Ca 0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 2x6m n ASP 67 Cb 0.42 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.02 2x6m n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2x6m n ARG 68 N -1.93 0.80 -4.24 -1.24 1.74 -0.47 -5.00 116.66 106.31 2x6m n ARG 68 Ca 0.00 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 2x6m n ARG 68 Cb 0.00 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 29.90 2x6m n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2x6m s PHE 69 N -2.44 2.91 -0.07 -1.55 0.40 -0.77 -1.13 117.98 115.33 2x6m s PHE 69 Ca -0.21 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 2x6m s PHE 69 Cb 0.07 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 42.08 2x6m s PHE 69 CO 0.60 0.44 -0.07 0.99 0.70 0.00 0.00 175.22 177.89 2x6m s THR 70 N -1.20 0.79 0.07 0.64 2.01 -0.09 -4.86 115.64 113.01 2x6m s THR 70 Ca 0.22 -0.22 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 2x6m s THR 70 Cb -0.11 -0.80 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 2x6m s THR 70 CO 0.14 0.30 0.39 -0.51 -0.69 0.00 0.00 174.62 174.25 2x6m s ILE 71 N 1.21 5.11 0.18 1.82 2.07 -1.26 -0.59 121.20 129.75 2x6m s ILE 71 Ca -0.05 0.43 -0.13 0.00 -1.41 0.00 0.00 60.65 59.49 2x6m s ILE 71 Cb -0.14 -3.64 0.01 0.00 0.13 0.00 0.00 42.46 38.82 2x6m s ILE 71 CO -0.02 0.31 0.40 -0.94 -1.91 0.00 0.00 174.94 172.78 2x6m s SER 72 N -1.73 -0.10 -0.03 4.50 1.04 -0.90 -5.00 113.70 111.48 2x6m s SER 72 Ca 0.32 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2x6m s SER 72 Cb -0.14 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2x6m s SER 72 CO 0.18 -0.98 -0.08 -0.60 0.98 0.00 0.00 173.24 172.75 2x6m s ARG 73 N -3.92 0.93 -0.49 4.02 3.52 -1.26 -0.41 118.95 121.34 2x6m s ARG 73 Ca 0.13 -0.24 -0.15 0.00 -0.13 0.00 0.00 55.73 55.34 2x6m s ARG 73 Cb 0.01 -0.87 0.09 0.00 -1.56 0.00 0.00 34.95 32.62 2x6m s ARG 73 CO -0.01 0.05 0.41 0.34 -0.81 0.00 0.00 175.30 175.28 2x6m s ASP 74 N 0.41 6.10 0.42 -2.12 -1.08 -0.21 -4.95 116.67 115.24 2x6m s ASP 74 Ca -0.06 -1.48 0.14 0.00 -0.52 0.00 0.00 52.55 50.63 2x6m s ASP 74 Cb -0.10 -2.17 0.91 0.00 -1.46 0.00 0.00 42.92 40.10 2x6m s ASP 74 CO 0.01 -0.69 1.93 0.78 0.52 0.00 0.00 175.17 177.71 2x6m h ASN 75 N 8.75 0.00 0.96 -0.34 2.35 -1.98 -1.89 115.58 123.43 2x6m h ASN 75 Ca -0.28 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.42 2x6m h ASN 75 Cb 1.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 2x6m h ASN 75 CO 0.91 0.26 -0.21 0.00 -1.65 0.00 0.00 177.43 176.74 2x6m h ALA 76 N 1.74 1.01 -0.02 -0.83 0.00 -1.95 -2.71 119.26 116.51 2x6m h ALA 76 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x6m h ALA 76 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2x6m h ALA 76 CO 0.03 0.26 -0.16 0.39 0.00 0.00 0.00 179.25 179.77 2x6m n GLU 77 N -3.36 1.89 -4.08 0.00 -0.58 -0.78 -4.97 120.64 108.76 2x6m n GLU 77 Ca 0.00 -1.54 -0.31 0.00 -0.42 0.00 0.00 57.16 54.89 2x6m n GLU 77 Cb 0.43 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 2x6m n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2x6m n ASN 78 N 0.79 -2.40 -3.98 1.62 5.15 -0.79 -4.84 115.26 110.81 2x6m n ASN 78 Ca 0.13 -0.98 -0.16 0.00 -0.60 0.00 0.00 54.58 52.97 2x6m n ASN 78 Cb 0.54 -3.04 -0.14 0.00 -0.53 0.00 0.00 39.78 36.61 2x6m n ASN 78 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2x6m s THR 79 N -3.54 0.48 -0.01 -0.44 2.01 -1.14 -1.90 115.64 111.09 2x6m s THR 79 Ca 0.45 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2x6m s THR 79 Cb -0.24 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2x6m s THR 79 CO 0.90 0.12 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.09 2x6m s VAL 80 N -0.18 2.89 0.18 3.82 1.01 -0.18 -1.04 120.40 126.90 2x6m s VAL 80 Ca 0.02 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2x6m s VAL 80 Cb -0.03 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2x6m s VAL 80 CO -0.00 0.48 -0.19 -0.31 0.00 0.00 0.00 175.10 175.08 2x6m s TYR 81 N -0.81 2.43 -0.24 5.22 2.02 0.45 0.46 117.35 126.89 2x6m s TYR 81 Ca 0.13 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 2x6m s TYR 81 Cb -0.11 -1.21 0.06 0.00 -0.40 0.00 0.00 41.96 40.31 2x6m s TYR 81 CO 0.03 0.49 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.30 2x6m s LEU 82 N -2.68 2.48 -0.44 -1.29 2.96 -0.13 -2.11 118.68 117.46 2x6m s LEU 82 Ca 0.22 -1.20 -0.22 0.00 -0.22 0.00 0.00 54.13 52.71 2x6m s LEU 82 Cb -0.08 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.52 2x6m s LEU 82 CO 0.12 -0.26 0.74 -1.58 -1.32 0.00 0.00 176.35 174.05 2x6m s GLN 83 N 1.44 3.40 -0.36 1.98 2.00 0.24 -0.43 119.66 127.94 2x6m s GLN 83 Ca -0.04 -0.15 -0.08 0.00 -2.00 0.00 0.00 55.36 53.09 2x6m s GLN 83 Cb -0.19 -3.93 0.04 0.00 0.80 0.00 0.00 33.01 29.73 2x6m s GLN 83 CO -0.07 -1.06 0.15 -1.64 -0.50 0.00 0.00 175.29 172.17 2x6m s MET 84 N 3.13 2.70 0.39 1.67 -1.94 0.37 -0.91 119.30 124.70 2x6m s MET 84 Ca 0.28 -1.14 0.08 0.00 -1.71 0.00 0.00 55.69 53.19 2x6m s MET 84 Cb -0.13 -3.58 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 2x6m s MET 84 CO 0.21 -0.69 0.31 -0.80 -0.01 0.00 0.00 175.02 174.05 2x6m s ASN 85 N 1.47 5.00 -1.50 3.03 0.01 -0.28 -1.22 114.94 121.44 2x6m s ASN 85 Ca -0.00 -0.73 -0.09 0.00 -0.71 0.00 0.00 52.86 51.34 2x6m s ASN 85 Cb -0.19 -0.67 0.06 0.00 0.41 0.00 0.00 41.25 40.86 2x6m s ASN 85 CO 0.04 -0.53 0.70 -0.24 -1.51 0.00 0.00 177.10 175.56 2x6m n SER 86 N -1.43 -2.37 -4.75 -1.22 2.88 -1.08 -4.63 113.62 101.02 2x6m n SER 86 Ca 0.01 -0.92 -0.38 0.00 -1.33 0.00 0.00 58.87 56.24 2x6m n SER 86 Cb 0.62 -3.33 0.04 0.00 -0.75 0.00 0.00 64.21 60.79 2x6m n SER 86 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2x6m s LEU 87 N -7.09 3.85 0.15 2.46 1.43 -0.50 -4.70 118.68 114.28 2x6m s LEU 87 Ca 0.37 2.76 0.09 0.00 -1.03 0.00 0.00 54.13 56.33 2x6m s LEU 87 Cb -0.19 -4.27 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 2x6m s LEU 87 CO 0.87 -1.57 -0.22 -0.54 0.23 0.00 0.00 176.35 175.13 2x6m s LYS 88 N -2.91 1.31 0.54 1.70 1.02 -1.26 -0.10 119.74 120.04 2x6m s LYS 88 Ca 0.72 -1.36 0.23 0.00 0.02 0.00 0.00 55.97 55.58 2x6m s LYS 88 Cb -0.40 -1.56 1.41 0.00 -0.52 0.00 0.00 37.83 36.76 2x6m s LYS 88 CO 0.48 0.34 2.06 -1.35 -0.92 0.00 0.00 175.35 175.96 2x6m h PRO 89 N 3.57 0.00 0.00 -1.68 0.11 -1.90 0.19 132.00 132.30 2x6m h PRO 89 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2x6m h PRO 89 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2x6m h PRO 89 CO 0.45 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 179.73 2x6m h GLU 90 N 0.00 0.00 0.00 1.05 4.57 -1.95 -0.36 114.58 117.89 2x6m h GLU 90 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2x6m h GLU 90 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2x6m h GLU 90 CO -0.00 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.58 2x6m n ASP 91 N -3.02 0.00 -4.71 1.04 8.00 0.68 -4.87 116.55 113.67 2x6m n ASP 91 Ca -0.01 -0.14 -0.43 0.00 0.71 0.00 0.00 54.79 54.91 2x6m n ASP 91 Cb 0.17 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 2x6m n ASP 91 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2x6m n THR 92 N -1.27 0.22 -3.60 -3.53 -1.04 -0.15 -4.90 114.28 100.01 2x6m n THR 92 Ca 0.13 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2x6m n THR 92 Cb 0.21 -1.87 -0.01 0.00 -1.82 0.00 0.00 70.33 66.84 2x6m n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x6m s ALA 93 N 0.86 -2.25 -0.09 2.41 0.00 -0.28 -4.20 121.76 118.21 2x6m s ALA 93 Ca 0.74 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 53.50 2x6m s ALA 93 Cb -0.54 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2x6m s ALA 93 CO 0.37 -0.91 0.77 0.42 0.00 0.00 0.00 175.76 176.41 2x6m s ILE 94 N -2.31 4.98 -0.16 0.00 1.01 -0.77 -1.15 121.20 122.80 2x6m s ILE 94 Ca 0.13 1.58 -0.06 0.00 0.00 0.00 0.00 60.65 62.29 2x6m s ILE 94 Cb 0.04 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2x6m s ILE 94 CO -0.04 0.17 0.05 -0.31 0.00 0.00 0.00 174.94 174.81 2x6m s TYR 95 N 1.23 3.26 -0.06 3.97 2.02 0.29 -0.61 117.35 127.45 2x6m s TYR 95 Ca 0.40 0.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.26 2x6m s TYR 95 Cb -0.18 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2x6m s TYR 95 CO 0.18 0.25 -0.21 0.71 -1.57 0.00 0.00 175.55 174.91 2x6m s TYR 96 N 0.03 2.54 0.26 2.71 2.02 0.48 -0.61 117.35 124.79 2x6m s TYR 96 Ca 0.05 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 2x6m s TYR 96 Cb -0.12 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 2x6m s TYR 96 CO 0.01 -0.07 0.42 0.00 -1.57 0.00 0.00 175.55 174.34 2x6m s ALA 98 N -2.05 -1.24 0.05 0.00 0.00 0.07 -0.98 121.76 117.61 2x6m s ALA 98 Ca 0.37 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.90 2x6m s ALA 98 Cb -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2x6m s ALA 98 CO 0.31 -0.48 -0.11 0.00 0.00 0.00 0.00 175.76 175.48 2x6m s ALA 99 N -2.39 0.89 0.98 0.00 0.00 0.03 -0.40 121.76 120.88 2x6m s ALA 99 Ca -0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2x6m s ALA 99 Cb -0.01 -0.05 0.18 0.00 0.00 0.00 0.00 23.12 23.25 2x6m s ALA 99 CO -0.01 0.09 1.13 0.15 0.00 0.00 0.00 175.76 177.11 2x6m s LYS 100 N -1.55 0.53 0.42 0.00 1.02 -0.56 -0.30 119.74 119.30 2x6m s LYS 100 Ca -0.05 0.28 0.23 0.00 0.02 0.00 0.00 55.97 56.45 2x6m s LYS 100 Cb -0.09 -1.77 0.69 0.00 -0.52 0.00 0.00 37.83 36.13 2x6m s LYS 100 CO 0.01 -2.61 1.72 0.74 -0.92 0.00 0.00 175.35 174.30 2x6m h PHE 101 N -1.79 0.00 -3.60 3.18 0.04 -1.92 -3.43 116.94 109.41 2x6m h PHE 101 Ca -0.51 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.13 2x6m h PHE 101 Cb 1.32 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.29 2x6m h PHE 101 CO -0.08 0.23 -0.45 -1.12 -0.60 0.00 0.00 178.31 176.29 2x6m s SER 102 N -6.20 0.07 0.33 2.17 0.01 -1.26 -5.07 113.70 103.75 2x6m s SER 102 Ca 0.02 -0.36 -0.27 0.00 1.31 0.00 0.00 55.95 56.65 2x6m s SER 102 Cb 0.09 0.25 -0.13 0.00 0.21 0.00 0.00 66.02 66.44 2x6m s SER 102 CO 0.66 -0.49 1.12 -2.65 0.41 0.00 0.00 173.24 172.28 2x6m n PRO 103 N 0.92 1.64 -2.89 12.44 -0.02 -1.26 -4.60 135.00 141.23 2x6m n PRO 103 Ca -0.20 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2x6m n PRO 103 Cb 0.58 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2x6m n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x6m n GLY 104 N 1.04 -0.92 3.94 -1.23 0.00 -0.51 -4.96 105.19 102.54 2x6m n GLY 104 Ca 0.08 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 2x6m n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x6m s TYR 105 N -2.55 3.45 0.21 1.61 2.02 -1.26 -1.85 117.35 118.97 2x6m s TYR 105 Ca 0.00 0.42 0.07 0.00 -0.37 0.00 0.00 57.07 57.19 2x6m s TYR 105 Cb 0.00 -2.08 0.13 0.00 -0.40 0.00 0.00 41.96 39.60 2x6m s TYR 105 CO 0.00 -0.08 1.47 0.00 -1.57 0.00 0.00 175.55 175.37 2x6m n GLY 107 N 0.64 0.52 1.52 0.00 0.00 -1.26 -3.89 105.19 102.72 2x6m n GLY 107 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2x6m n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x6m n GLY 108 N -2.54 0.53 3.20 -0.02 0.00 -1.26 -5.04 105.19 100.06 2x6m n GLY 108 Ca -0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2x6m n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x6m s SER 109 N -2.72 0.05 0.00 1.61 1.04 -1.25 -5.03 113.70 107.40 2x6m s SER 109 Ca 0.00 -0.46 0.24 0.00 0.48 0.00 0.00 55.95 56.20 2x6m s SER 109 Cb 0.00 0.32 1.06 0.00 0.10 0.00 0.00 66.02 67.50 2x6m s SER 109 CO 0.00 -0.64 1.73 0.79 0.98 0.00 0.00 173.24 176.10 2x6m n TRP 110 N 0.35 0.08 -2.22 5.02 7.02 -1.26 -4.96 117.44 121.48 2x6m n TRP 110 Ca -0.17 -0.04 -0.31 0.00 -1.02 0.00 0.00 57.50 55.96 2x6m n TRP 110 Cb 0.60 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.48 2x6m n TRP 110 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2x6m s SER 111 N -1.74 6.41 -0.99 -0.99 0.01 -1.26 -4.34 113.70 110.79 2x6m s SER 111 Ca 0.35 1.41 -0.01 0.00 1.31 0.00 0.00 55.95 59.02 2x6m s SER 111 Cb 0.18 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2x6m s SER 111 CO 0.29 -0.70 0.10 0.59 0.41 0.00 0.00 173.24 173.93 2x6m n ASN 112 N -2.13 -3.91 -4.75 2.44 5.03 -1.26 -5.01 115.26 105.66 2x6m n ASN 112 Ca 0.05 -0.05 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 2x6m n ASN 112 Cb 0.54 -3.04 -0.06 0.00 -1.02 0.00 0.00 39.78 36.21 2x6m n ASN 112 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2x6m s PHE 113 N -2.68 3.94 0.00 3.10 0.08 -1.26 -3.97 117.98 117.19 2x6m s PHE 113 Ca 0.05 1.84 0.00 0.00 0.12 0.00 0.00 56.93 58.94 2x6m s PHE 113 Cb -0.02 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 2x6m s PHE 113 CO 0.06 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 176.02 2x6m n GLY 114 N 1.64 0.00 3.65 4.36 0.00 0.58 -4.95 105.19 110.47 2x6m n GLY 114 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2x6m n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x6m s TYR 115 N -1.74 3.10 -0.01 1.61 2.02 -0.62 -4.96 117.35 116.75 2x6m s TYR 115 Ca 0.00 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2x6m s TYR 115 Cb 0.00 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 2x6m s TYR 115 CO 0.00 0.42 -0.02 -1.58 -1.57 0.00 0.00 175.55 172.80 2x6m s TRP 116 N -0.82 0.29 0.99 2.71 0.52 -1.26 -0.79 118.94 120.57 2x6m s TRP 116 Ca 0.12 -0.04 -0.15 0.00 0.02 0.00 0.00 56.10 56.06 2x6m s TRP 116 Cb -0.11 -0.25 0.19 0.00 -1.15 0.00 0.00 33.47 32.14 2x6m s TRP 116 CO 0.02 -0.04 1.17 0.20 0.02 0.00 0.00 176.95 178.31 2x6m s GLY 117 N 0.26 1.62 0.47 0.98 0.00 -0.15 -4.57 107.32 105.92 2x6m s GLY 117 Ca -0.02 -0.75 0.26 0.00 0.00 0.00 0.00 44.72 44.20 2x6m s GLY 117 CO -0.01 -0.08 1.71 1.46 0.00 0.00 0.00 173.10 176.19 2x6m h GLN 118 N -1.78 0.00 0.00 2.90 1.08 -1.91 -3.45 115.11 111.95 2x6m h GLN 118 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2x6m h GLN 118 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2x6m h GLN 118 CO 0.51 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.80 2x6m n GLY 119 N 0.82 2.43 2.87 3.46 0.00 -1.26 -5.03 105.19 108.47 2x6m n GLY 119 Ca 0.03 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 2x6m n GLY 119 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x6m s THR 120 N -2.96 0.22 0.12 2.61 -1.32 0.22 -4.84 115.64 109.69 2x6m s THR 120 Ca 0.00 -0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 2x6m s THR 120 Cb 0.00 -0.26 -0.06 0.00 -1.51 0.00 0.00 72.50 70.67 2x6m s THR 120 CO 0.00 0.11 1.11 -1.58 -2.21 0.00 0.00 174.62 172.05 2x6m s GLN 121 N 0.51 4.54 -0.21 7.08 2.00 -1.26 -0.55 119.66 131.77 2x6m s GLN 121 Ca -0.05 1.69 0.01 0.00 -2.00 0.00 0.00 55.36 55.01 2x6m s GLN 121 Cb -0.08 -3.33 0.05 0.00 0.80 0.00 0.00 33.01 30.45 2x6m s GLN 121 CO -0.01 -0.04 -0.11 0.08 -0.50 0.00 0.00 175.29 174.71 2x6m s VAL 122 N 0.34 1.77 -0.11 1.34 1.01 -0.30 -1.88 120.40 122.57 2x6m s VAL 122 Ca 0.53 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2x6m s VAL 122 Cb -0.28 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2x6m s VAL 122 CO 0.32 0.12 -0.11 -0.89 0.00 0.00 0.00 175.10 174.54 2x6m s THR 123 N 1.33 3.26 -0.09 3.92 2.01 -0.37 -1.13 115.64 124.57 2x6m s THR 123 Ca -0.03 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.37 2x6m s THR 123 Cb -0.17 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.01 2x6m s THR 123 CO -0.08 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.60 2x6m s VAL 124 N -0.04 1.11 0.11 3.82 1.01 -1.26 -0.68 120.40 124.48 2x6m s VAL 124 Ca -0.02 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.64 2x6m s VAL 124 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2x6m s VAL 124 CO 0.04 0.37 -0.17 -0.44 0.00 0.00 0.00 175.10 174.89 2x6m s SER 125 N 1.15 3.91 0.28 3.32 0.01 -0.40 -4.14 113.70 117.84 2x6m s SER 125 Ca -0.05 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.71 2x6m s SER 125 Cb -0.14 -0.57 0.03 0.00 0.21 0.00 0.00 66.02 65.55 2x6m s SER 125 CO -0.02 0.19 0.27 -1.54 0.41 0.00 0.00 173.24 172.54 2x6m n SER 126 N 0.87 1.58 -0.00 2.44 3.41 -1.26 -0.54 113.62 120.11 2x6m n SER 126 Ca -0.15 -1.88 0.16 0.00 -0.26 0.00 0.00 58.87 56.74 2x6m n SER 126 Cb 0.53 -0.09 0.95 0.00 -0.26 0.00 0.00 64.21 65.34 2x6m n SER 126 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45