#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avg s ASP 2 N 0.00 4.05 -0.94 -2.24 2.15 -1.25 -4.95 116.67 113.49 2avg s ASP 2 Ca 0.00 -0.46 -0.14 0.00 0.43 0.00 0.00 52.55 52.38 2avg s ASP 2 Cb 0.00 -0.67 -0.28 0.00 -0.30 0.00 0.00 42.92 41.67 2avg s ASP 2 CO 0.00 0.20 2.24 -0.81 -0.17 0.00 0.00 175.17 176.63 2avg n PRO 3 N 0.98 0.16 0.07 4.34 -0.04 -1.26 -4.47 135.00 134.78 2avg n PRO 3 Ca -0.15 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2avg n PRO 3 Cb 0.52 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2avg n PRO 3 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2avg n ILE 4 N 6.44 0.88 -0.71 0.52 -0.00 -1.26 -5.04 119.36 120.19 2avg n ILE 4 Ca 0.62 0.29 0.00 0.00 -0.00 0.00 0.00 62.75 63.66 2avg n ILE 4 Cb 0.22 -1.28 0.00 0.00 -0.00 0.00 0.00 39.64 38.57 2avg n ILE 4 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2avg n GLY 5 N 2.99 1.28 0.33 7.39 0.00 -1.26 -4.96 105.19 110.96 2avg n GLY 5 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.79 2avg n GLY 5 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2avg n LEU 6 N -0.06 -0.41 -4.57 0.99 7.94 -1.26 -2.08 117.00 117.55 2avg n LEU 6 Ca 0.00 1.55 -0.42 0.00 -1.11 0.00 0.00 56.01 56.03 2avg n LEU 6 Cb 0.16 -0.43 -0.01 0.00 0.53 0.00 0.00 43.42 43.67 2avg n LEU 6 CO 0.00 -1.45 1.76 -0.36 -1.11 0.00 0.00 177.39 176.22 2avg s PHE 7 N -6.03 2.65 0.08 1.96 0.40 -1.26 -1.48 117.98 114.30 2avg s PHE 7 Ca -0.13 -1.25 -0.15 0.00 -0.60 0.00 0.00 56.93 54.81 2avg s PHE 7 Cb 0.22 -4.72 -0.16 0.00 0.51 0.00 0.00 43.02 38.88 2avg s PHE 7 CO 0.68 -1.85 1.28 0.28 0.70 0.00 0.00 175.22 176.31 2avg h VAL 8 N 6.11 1.31 -2.49 -0.44 2.07 -0.74 -3.45 116.25 118.61 2avg h VAL 8 Ca 0.34 -1.90 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 2avg h VAL 8 Cb 0.93 2.03 -0.24 0.00 -1.52 0.00 0.00 31.29 32.49 2avg h VAL 8 CO 1.44 0.59 -0.17 -0.32 0.02 0.00 0.00 177.57 179.13 2avg s MET 9 N -3.75 0.53 -0.09 1.57 -2.45 -1.14 -4.98 119.30 108.98 2avg s MET 9 Ca -0.11 0.81 -0.03 0.00 -1.25 0.00 0.00 55.69 55.11 2avg s MET 9 Cb 0.08 0.15 -0.04 0.00 1.25 0.00 0.00 34.83 36.27 2avg s MET 9 CO 0.88 -0.11 0.06 -0.98 1.05 0.00 0.00 175.02 175.91 2avg s ARG 10 N 0.90 3.14 0.64 4.11 1.70 -1.26 -0.64 118.95 127.53 2avg s ARG 10 Ca -0.05 -0.33 -0.14 0.00 -0.47 0.00 0.00 55.73 54.74 2avg s ARG 10 Cb -0.06 -2.93 -0.02 0.00 -0.57 0.00 0.00 34.95 31.38 2avg s ARG 10 CO -0.07 0.72 1.06 -1.25 -1.08 0.00 0.00 175.30 174.68 2avg s PRO 11 N -1.04 3.11 0.53 3.89 0.04 -1.11 -4.94 135.00 135.48 2avg s PRO 11 Ca 0.15 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.36 2avg s PRO 11 Cb -0.12 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2avg s PRO 11 CO 0.04 -0.98 0.08 1.04 0.04 0.00 0.00 177.00 177.23 2avg n GLN 12 N -2.43 0.73 0.00 4.56 1.13 -1.26 -4.67 117.38 115.43 2avg n GLN 12 Ca 0.09 -3.74 0.00 0.00 -1.94 0.00 0.00 57.00 51.41 2avg n GLN 12 Cb 0.53 0.89 0.00 0.00 0.11 0.00 0.00 30.24 31.77 2avg n GLN 12 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2avg n ASP 13 N -1.41 0.00 0.00 1.08 5.75 -1.26 -4.60 116.55 116.11 2avg n ASP 13 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2avg n ASP 13 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2avg n GLY 14 N 3.15 3.78 3.27 6.12 0.00 -0.32 -4.84 105.19 116.35 2avg n GLY 14 Ca 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2avg n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2avg s GLU 15 N -1.51 2.69 0.17 1.61 2.02 -1.26 -0.33 118.70 122.09 2avg s GLU 15 Ca 0.00 -1.12 0.03 0.00 0.02 0.00 0.00 54.97 53.90 2avg s GLU 15 Cb 0.00 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 2avg s GLU 15 CO 0.00 -0.60 -0.03 0.14 0.02 0.00 0.00 175.26 174.79 2avg s VAL 16 N 1.40 0.84 0.11 2.63 -7.23 -0.27 -4.95 120.40 112.93 2avg s VAL 16 Ca -0.01 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.08 2avg s VAL 16 Cb -0.19 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.62 2avg s VAL 16 CO 0.02 -0.54 0.40 -0.89 -0.31 0.00 0.00 175.10 173.78 2avg s THR 17 N -3.55 5.11 -0.36 5.32 2.01 -1.26 0.92 115.64 123.83 2avg s THR 17 Ca 0.22 0.29 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 2avg s THR 17 Cb 0.05 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2avg s THR 17 CO 0.03 0.16 1.96 0.54 -0.69 0.00 0.00 174.62 176.63 2avg s VAL 18 N -1.53 3.31 0.00 3.82 0.11 -0.90 -1.19 120.40 124.02 2avg s VAL 18 Ca 0.37 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 2avg s VAL 18 Cb -0.13 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2avg s VAL 18 CO 0.21 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 2avg n GLY 19 N 5.59 0.34 0.00 6.54 0.00 -1.25 -4.82 105.19 111.60 2avg n GLY 19 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2avg n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avg n GLY 20 N 0.00 0.60 3.66 -0.02 0.00 -0.33 -4.60 105.19 104.51 2avg n GLY 20 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2avg n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2avg s SER 21 N -1.00 0.11 -0.04 1.61 0.15 -1.26 0.66 113.70 113.93 2avg s SER 21 Ca 0.00 -1.04 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 2avg s SER 21 Cb 0.00 0.68 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2avg s SER 21 CO 0.00 -1.32 0.31 -0.51 1.20 0.00 0.00 173.24 172.92 2avg s ILE 22 N -3.44 0.04 -0.04 6.45 1.10 0.20 -4.76 121.20 120.76 2avg s ILE 22 Ca 0.21 -0.36 -0.01 0.00 -0.51 0.00 0.00 60.65 59.98 2avg s ILE 22 Cb -0.02 -0.57 0.03 0.00 0.15 0.00 0.00 42.46 42.05 2avg s ILE 22 CO 0.12 -0.20 0.07 -0.89 -2.11 0.00 0.00 174.94 171.93 2avg s THR 23 N -0.94 -0.09 0.07 4.00 2.01 -1.26 -1.54 115.64 117.89 2avg s THR 23 Ca -0.10 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.25 2avg s THR 23 Cb -0.05 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 2avg s THR 23 CO 0.03 0.11 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.50 2avg s PHE 24 N 1.45 1.84 -0.05 4.92 0.08 -1.13 -4.88 117.98 120.21 2avg s PHE 24 Ca -0.05 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 2avg s PHE 24 Cb -0.12 -1.06 0.03 0.00 -0.57 0.00 0.00 43.02 41.30 2avg s PHE 24 CO -0.04 0.15 0.04 -1.12 -0.10 0.00 0.00 175.22 174.15 2avg s SER 25 N -1.49 1.22 -0.24 1.36 0.01 -1.26 0.26 113.70 113.55 2avg s SER 25 Ca 0.07 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2avg s SER 25 Cb -0.09 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.91 2avg s SER 25 CO 0.03 -0.22 -0.05 0.00 0.41 0.00 0.00 173.24 173.41 2avg s ALA 26 N 2.01 2.75 -0.27 1.44 0.00 0.22 -2.73 121.76 125.18 2avg s ALA 26 Ca 0.04 -1.36 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 2avg s ALA 26 Cb -0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 2avg s ALA 26 CO -0.04 -0.68 0.16 1.03 0.00 0.00 0.00 175.76 176.23 2avg s ARG 27 N 1.39 3.85 -0.14 0.00 0.52 0.19 0.15 118.95 124.90 2avg s ARG 27 Ca 0.02 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 2avg s ARG 27 Cb -0.16 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.75 2avg s ARG 27 CO -0.04 -0.19 -0.20 0.08 0.02 0.00 0.00 175.30 174.97 2avg s VAL 28 N 1.72 2.26 -0.24 3.52 1.01 -0.02 -1.68 120.40 126.96 2avg s VAL 28 Ca 0.07 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 2avg s VAL 28 Cb -0.16 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2avg s VAL 28 CO 0.09 0.54 2.24 0.00 0.00 0.00 0.00 175.10 177.97 2avg s ALA 29 N 0.80 2.62 0.45 5.51 0.00 -0.55 0.05 121.76 130.65 2avg s ALA 29 Ca -0.07 0.72 0.17 0.00 0.00 0.00 0.00 51.96 52.78 2avg s ALA 29 Cb -0.15 -4.10 1.12 0.00 0.00 0.00 0.00 23.12 19.99 2avg s ALA 29 CO -0.01 -2.95 1.95 0.78 0.00 0.00 0.00 175.76 175.53 2avg h GLY 30 N 15.52 0.53 0.00 0.00 0.00 -0.90 -3.44 103.07 114.78 2avg h GLY 30 Ca -0.40 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2avg h GLY 30 CO 0.98 0.05 0.00 0.00 0.00 0.00 0.00 176.54 177.57 2avg n ALA 31 N -2.55 0.00 -1.92 3.60 0.00 -1.26 -4.20 120.51 114.18 2avg n ALA 31 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 2avg n ALA 31 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 2avg n ALA 31 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2avg n SER 32 N -3.30 4.76 -3.69 0.00 3.41 -1.26 -5.08 113.62 108.45 2avg n SER 32 Ca 0.00 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.54 2avg n SER 32 Cb 0.00 -0.41 0.27 0.00 -0.26 0.00 0.00 64.21 63.81 2avg n SER 32 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2avg s LEU 33 N -3.57 -0.26 -0.01 1.04 2.34 -1.26 -4.99 118.68 111.96 2avg s LEU 33 Ca 0.51 0.85 -0.23 0.00 0.06 0.00 0.00 54.13 55.31 2avg s LEU 33 Cb 0.41 -2.43 -0.16 0.00 -0.56 0.00 0.00 46.19 43.45 2avg s LEU 33 CO 0.03 -4.80 1.07 0.25 -1.06 0.00 0.00 176.35 171.83 2avg h LEU 34 N -3.04 -0.32 -8.12 1.48 5.85 -1.97 -3.46 115.31 105.73 2avg h LEU 34 Ca -0.46 -0.22 -0.19 0.00 0.84 0.00 0.00 57.88 57.85 2avg h LEU 34 Cb 1.32 0.08 -0.19 0.00 0.37 0.00 0.00 40.66 42.24 2avg h LEU 34 CO 0.33 0.12 -0.70 -1.59 -0.34 0.00 0.00 178.44 176.25 2avg s LYS 35 N -4.15 0.47 0.15 1.25 0.00 -1.26 -5.11 119.74 111.09 2avg s LYS 35 Ca -0.13 -0.82 -0.32 0.00 0.00 0.00 0.00 55.97 54.69 2avg s LYS 35 Cb 0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 37.83 37.67 2avg s LYS 35 CO 0.50 -0.03 0.87 -2.30 0.00 0.00 0.00 175.35 174.39 2avg n PRO 36 N 1.14 0.41 -1.69 1.78 -0.02 -1.26 -4.67 135.00 130.70 2avg n PRO 36 Ca -0.21 0.15 -0.44 0.00 -2.02 0.00 0.00 63.50 60.98 2avg n PRO 36 Cb 0.57 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.58 2avg n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2avg n PRO 37 N 1.31 2.13 -3.35 0.52 -0.04 -1.26 -4.92 135.00 129.39 2avg n PRO 37 Ca 0.17 0.76 -0.44 0.00 -0.04 0.00 0.00 63.50 63.94 2avg n PRO 37 Cb 0.21 -2.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.19 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2avg s VAL 38 N -0.28 5.18 -0.32 0.52 1.01 -0.75 -4.93 120.40 120.84 2avg s VAL 38 Ca 0.65 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 2avg s VAL 38 Cb -0.61 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 31.59 2avg s VAL 38 CO 0.52 -0.64 0.17 -0.69 0.00 0.00 0.00 175.10 174.46 2avg s VAL 39 N 1.78 4.68 -0.24 2.92 1.01 -1.26 0.23 120.40 129.51 2avg s VAL 39 Ca 0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2avg s VAL 39 Cb -0.24 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2avg s VAL 39 CO 0.07 0.04 0.11 -1.59 0.00 0.00 0.00 175.10 173.72 2avg s LYS 40 N 1.62 3.86 0.39 2.72 0.00 -0.56 -4.99 119.74 122.79 2avg s LYS 40 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 55.97 55.58 2avg s LYS 40 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 37.83 34.22 2avg s LYS 40 CO 0.07 -0.03 0.69 -1.58 0.00 0.00 0.00 175.35 174.50 2avg s TRP 41 N 1.23 3.51 -0.05 1.78 0.52 -1.26 -1.01 118.94 123.67 2avg s TRP 41 Ca 0.06 0.76 -0.00 0.00 0.02 0.00 0.00 56.10 56.93 2avg s TRP 41 Cb -0.14 -2.22 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 2avg s TRP 41 CO 0.05 -0.06 -0.00 0.12 0.02 0.00 0.00 176.95 177.07 2avg s PHE 42 N -2.42 0.49 0.29 -1.98 5.36 -0.57 -4.55 117.98 114.60 2avg s PHE 42 Ca 0.46 -0.07 0.06 0.00 -0.96 0.00 0.00 56.93 56.42 2avg s PHE 42 Cb -0.10 -0.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.96 2avg s PHE 42 CO 0.36 -0.21 0.34 0.21 -1.46 0.00 0.00 175.22 174.46 2avg s LYS 43 N 1.40 3.10 0.00 10.12 2.20 0.16 -0.24 119.74 136.48 2avg s LYS 43 Ca -0.04 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 2avg s LYS 43 Cb -0.13 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 2avg s LYS 43 CO -0.03 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 2avg n GLY 44 N -1.41 0.00 0.26 5.54 0.00 -1.23 -1.55 105.19 106.79 2avg n GLY 44 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2avg n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avg h LYS 45 N 0.00 0.00 0.00 1.61 1.57 -0.68 -3.17 116.57 115.90 2avg h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2avg h LYS 45 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2avg h LYS 45 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 179.45 176.21 2avg n TRP 46 N -2.22 0.00 -3.12 -1.35 4.27 -1.25 -4.89 117.44 108.90 2avg n TRP 46 Ca -0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 2avg n TRP 46 Cb 0.82 0.06 -0.07 0.00 -1.36 0.00 0.00 31.31 30.76 2avg n TRP 46 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2avg s VAL 47 N 0.00 4.93 -0.74 -1.67 1.01 -0.60 -4.95 120.40 118.39 2avg s VAL 47 Ca 0.00 0.83 -0.24 0.00 0.00 0.00 0.00 61.98 62.57 2avg s VAL 47 Cb 0.00 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.43 2avg s VAL 47 CO 0.00 -0.16 1.12 1.51 0.00 0.00 0.00 175.10 177.57 2avg s ASP 48 N 1.66 6.23 0.40 3.32 -4.77 -1.26 0.41 116.67 122.65 2avg s ASP 48 Ca 0.25 -0.93 0.18 0.00 -3.30 0.00 0.00 52.55 48.75 2avg s ASP 48 Cb -0.15 -2.48 1.10 0.00 -1.09 0.00 0.00 42.92 40.30 2avg s ASP 48 CO 0.12 -1.55 1.79 -0.07 0.70 0.00 0.00 175.17 176.16 2avg h LEU 49 N 11.96 0.44 -2.63 2.11 4.07 -1.90 -1.21 115.31 128.15 2avg h LEU 49 Ca -0.21 0.07 0.01 0.00 0.08 0.00 0.00 57.88 57.83 2avg h LEU 49 Cb 1.06 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 2avg h LEU 49 CO 1.23 0.11 0.07 -1.28 -1.08 0.00 0.00 178.44 177.49 2avg h SER 50 N 0.40 0.00 0.00 -0.43 0.87 -1.91 0.58 113.55 113.06 2avg h SER 50 Ca 0.57 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.85 2avg h SER 50 Cb 1.44 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.34 2avg h SER 50 CO -0.27 0.00 -2.22 -1.20 -0.53 0.00 0.00 176.83 172.61 2avg n SER 51 N -3.36 0.38 -0.06 6.23 7.64 -0.47 -4.70 113.62 119.28 2avg n SER 51 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.64 2avg n SER 51 Cb 0.15 1.14 -0.13 0.00 -1.01 0.00 0.00 64.21 64.36 2avg n SER 51 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2avg n LYS 52 N -2.60 0.65 -0.20 1.43 4.76 0.12 -4.90 118.16 117.41 2avg n LYS 52 Ca -0.26 0.44 -0.04 0.00 -2.87 0.00 0.00 58.31 55.59 2avg n LYS 52 Cb 1.00 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 2avg n LYS 52 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2avg n VAL 53 N -4.04 0.00 0.00 -0.18 0.31 0.16 -4.50 118.33 110.08 2avg n VAL 53 Ca -0.32 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2avg n VAL 53 Cb 0.84 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.75 2avg n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2avg n GLY 54 N 0.78 1.48 0.21 2.92 0.00 0.30 -4.86 105.19 106.02 2avg n GLY 54 Ca 0.09 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 2avg n GLY 54 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2avg h GLN 55 N 0.00 -0.30 0.13 1.61 4.15 -1.97 -3.03 115.11 115.70 2avg h GLN 55 Ca 0.00 0.02 -0.35 0.00 0.77 0.00 0.00 58.65 59.09 2avg h GLN 55 Cb 0.00 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2avg h GLN 55 CO 0.00 -0.20 -1.86 1.12 -1.93 0.00 0.00 178.83 175.95 2avg h HIS 56 N -0.31 0.50 -3.68 3.99 2.07 -1.89 -3.43 115.15 112.39 2avg h HIS 56 Ca 0.03 -0.36 -0.63 0.00 -2.85 0.00 0.00 60.37 56.56 2avg h HIS 56 Cb 0.34 -0.02 -0.38 0.00 2.57 0.00 0.00 27.41 29.92 2avg h HIS 56 CO -0.18 1.65 -0.78 -1.17 -3.07 0.00 0.00 177.93 174.37 2avg s LEU 57 N -7.01 2.89 -0.33 6.12 1.98 -1.22 0.04 118.68 121.16 2avg s LEU 57 Ca -0.18 -1.30 -0.17 0.00 -2.89 0.00 0.00 54.13 49.59 2avg s LEU 57 Cb 0.06 -1.28 -0.01 0.00 0.66 0.00 0.00 46.19 45.62 2avg s LEU 57 CO 0.80 -0.24 0.47 -1.10 -1.89 0.00 0.00 176.35 174.40 2avg s GLN 58 N 1.30 3.68 -0.80 1.98 1.11 0.72 0.11 119.66 127.76 2avg s GLN 58 Ca -0.05 -0.16 -0.17 0.00 0.01 0.00 0.00 55.36 54.99 2avg s GLN 58 Cb -0.19 -3.78 0.16 0.00 -1.01 0.00 0.00 33.01 28.19 2avg s GLN 58 CO -0.07 -0.56 0.86 -1.17 0.01 0.00 0.00 175.29 174.36 2avg s LEU 59 N 2.28 5.86 0.36 2.90 0.20 -1.26 0.27 118.68 129.30 2avg s LEU 59 Ca 0.17 -2.16 0.07 0.00 0.69 0.00 0.00 54.13 52.90 2avg s LEU 59 Cb -0.16 -2.29 -0.01 0.00 -0.43 0.00 0.00 46.19 43.30 2avg s LEU 59 CO 0.12 -0.87 0.46 -1.00 -0.29 0.00 0.00 176.35 174.78 2avg s HIS 60 N 1.62 2.98 -0.05 5.38 3.76 0.10 -4.91 115.29 124.18 2avg s HIS 60 Ca 0.21 -0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2avg s HIS 60 Cb -0.12 -2.07 0.03 0.00 1.11 0.00 0.00 32.58 31.52 2avg s HIS 60 CO -0.05 -0.09 0.01 0.16 -0.85 0.00 0.00 174.74 173.91 2avg s ASP 61 N -4.19 0.96 0.13 1.40 1.47 -1.25 0.10 116.67 115.29 2avg s ASP 61 Ca 0.47 -0.04 -0.07 0.00 1.18 0.00 0.00 52.55 54.10 2avg s ASP 61 Cb -0.09 -0.30 -0.06 0.00 -0.34 0.00 0.00 42.92 42.14 2avg s ASP 61 CO 0.31 -0.15 0.41 -0.44 0.68 0.00 0.00 175.17 175.97 2avg s SER 62 N 1.50 6.55 -0.32 2.11 0.01 0.37 -4.92 113.70 119.01 2avg s SER 62 Ca -0.03 0.70 -0.02 0.00 1.31 0.00 0.00 55.95 57.91 2avg s SER 62 Cb -0.13 -2.14 0.11 0.00 0.21 0.00 0.00 66.02 64.07 2avg s SER 62 CO -0.03 0.07 0.14 -0.47 0.41 0.00 0.00 173.24 173.36 2avg s TYR 63 N -1.60 1.08 -0.35 2.43 5.04 -1.26 -1.48 117.35 121.22 2avg s TYR 63 Ca 0.39 -1.46 -0.02 0.00 -2.44 0.00 0.00 57.07 53.54 2avg s TYR 63 Cb -0.13 -1.32 0.08 0.00 0.35 0.00 0.00 41.96 40.94 2avg s TYR 63 CO 0.22 -0.85 0.10 -0.51 -1.34 0.00 0.00 175.55 173.17 2avg s ASP 64 N 1.61 5.08 -0.05 4.32 1.11 -0.43 -4.95 116.67 123.37 2avg s ASP 64 Ca 0.11 -1.63 -0.14 0.00 0.18 0.00 0.00 52.55 51.07 2avg s ASP 64 Cb -0.18 -1.77 -0.31 0.00 1.07 0.00 0.00 42.92 41.73 2avg s ASP 64 CO -0.24 -0.40 0.70 -0.09 1.18 0.00 0.00 175.17 176.33 2avg h ARG 65 N 8.02 0.37 0.00 8.23 1.12 -1.93 0.45 114.38 130.63 2avg h ARG 65 Ca -0.17 -0.63 -0.02 0.00 -1.11 0.00 0.00 59.98 58.05 2avg h ARG 65 Cb 1.06 0.24 -0.00 0.00 -0.01 0.00 0.00 29.97 31.25 2avg h ARG 65 CO 0.61 1.30 -0.11 0.00 -3.11 0.00 0.00 179.97 178.66 2avg h ALA 66 N 0.07 1.03 0.00 2.80 0.00 -1.96 -1.58 119.26 119.63 2avg h ALA 66 Ca -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2avg h ALA 66 Cb 1.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2avg h ALA 66 CO 0.16 0.14 -1.45 0.45 0.00 0.00 0.00 179.25 178.54 2avg n SER 67 N -3.27 0.44 -1.40 0.00 2.88 -1.24 -4.97 113.62 106.07 2avg n SER 67 Ca 0.00 -0.25 -0.13 0.00 -1.33 0.00 0.00 58.87 57.17 2avg n SER 67 Cb 0.35 1.35 -0.01 0.00 -0.75 0.00 0.00 64.21 65.15 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2avg n LYS 68 N -2.05 -0.99 -4.34 -1.46 3.00 0.70 -4.98 118.16 108.05 2avg n LYS 68 Ca -0.00 0.64 -0.25 0.00 -0.00 0.00 0.00 58.31 58.69 2avg n LYS 68 Cb 0.48 -4.82 -0.17 0.00 0.00 0.00 0.00 35.03 30.52 2avg n LYS 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2avg s VAL 69 N -2.61 1.05 -0.38 3.15 1.01 0.12 -0.18 120.40 122.56 2avg s VAL 69 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 2avg s VAL 69 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.42 2avg s VAL 69 CO 0.00 0.35 0.21 -0.31 0.00 0.00 0.00 175.10 175.35 2avg s TYR 70 N 1.01 3.26 -0.51 5.22 2.02 0.11 -1.32 117.35 127.13 2avg s TYR 70 Ca -0.08 -1.09 -0.19 0.00 -0.37 0.00 0.00 57.07 55.34 2avg s TYR 70 Cb -0.15 -2.53 0.07 0.00 -0.40 0.00 0.00 41.96 38.95 2avg s TYR 70 CO -0.00 -0.69 0.62 -1.17 -1.57 0.00 0.00 175.55 172.73 2avg s LEU 71 N 1.53 5.08 -0.39 -1.29 2.96 -0.55 -0.84 118.68 125.17 2avg s LEU 71 Ca 0.02 -1.01 -0.26 0.00 -0.22 0.00 0.00 54.13 52.66 2avg s LEU 71 Cb -0.20 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.10 2avg s LEU 71 CO 0.06 -0.90 0.93 -0.36 -1.32 0.00 0.00 176.35 174.76 2avg s PHE 72 N 2.56 3.04 -0.15 5.38 0.40 0.12 0.14 117.98 129.47 2avg s PHE 72 Ca 0.14 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 2avg s PHE 72 Cb -0.20 -3.74 -0.00 0.00 0.51 0.00 0.00 43.02 39.59 2avg s PHE 72 CO 0.11 -0.90 -0.16 -1.83 0.70 0.00 0.00 175.22 173.15 2avg s GLU 73 N 3.56 3.21 -0.09 0.44 -1.05 0.28 0.70 118.70 125.75 2avg s GLU 73 Ca 0.38 -0.75 -0.17 0.00 -0.15 0.00 0.00 54.97 54.27 2avg s GLU 73 Cb -0.11 -2.61 -0.05 0.00 -0.44 0.00 0.00 34.13 30.92 2avg s GLU 73 CO 0.21 0.02 0.46 -0.51 0.95 0.00 0.00 175.26 176.39 2avg s LEU 74 N 0.79 4.33 -0.40 1.83 1.43 0.14 0.01 118.68 126.81 2avg s LEU 74 Ca -0.06 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 53.94 2avg s LEU 74 Cb -0.15 -2.67 0.11 0.00 0.03 0.00 0.00 46.19 43.50 2avg s LEU 74 CO 0.00 0.08 0.12 -1.00 0.23 0.00 0.00 176.35 175.78 2avg s HIS 75 N 0.19 3.58 -0.35 0.29 3.76 0.14 -2.86 115.29 120.05 2avg s HIS 75 Ca 0.25 -3.06 0.03 0.00 -0.15 0.00 0.00 55.06 52.13 2avg s HIS 75 Cb -0.16 -2.90 0.10 0.00 1.11 0.00 0.00 32.58 30.74 2avg s HIS 75 CO 0.11 -0.88 0.07 0.42 -0.85 0.00 0.00 174.74 173.61 2avg s ILE 76 N 0.51 2.06 0.33 0.60 1.01 -0.59 -0.20 121.20 124.92 2avg s ILE 76 Ca 0.13 -2.25 0.07 0.00 0.00 0.00 0.00 60.65 58.59 2avg s ILE 76 Cb -0.21 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2avg s ILE 76 CO -0.05 -0.63 0.45 0.42 0.00 0.00 0.00 174.94 175.13 2avg s THR 77 N 0.94 4.09 -0.46 2.92 -4.23 0.11 0.61 115.64 119.62 2avg s THR 77 Ca 0.11 -1.02 -0.17 0.00 -1.18 0.00 0.00 61.69 59.44 2avg s THR 77 Cb -0.19 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.26 2avg s THR 77 CO -0.10 -0.17 0.48 -0.90 -0.54 0.00 0.00 174.62 173.39 2avg n ASP 78 N -1.61 -3.84 -4.58 3.99 5.75 0.21 -4.75 116.55 111.72 2avg n ASP 78 Ca -0.01 -0.40 -0.41 0.00 -0.01 0.00 0.00 54.79 53.97 2avg n ASP 78 Cb 0.58 -1.18 -0.03 0.00 -1.03 0.00 0.00 41.12 39.46 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2avg s ALA 79 N -1.82 2.45 0.52 2.12 0.00 -1.26 -4.59 121.76 119.18 2avg s ALA 79 Ca 0.16 0.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.00 2avg s ALA 79 Cb -0.02 -4.15 -0.06 0.00 0.00 0.00 0.00 23.12 18.89 2avg s ALA 79 CO 0.66 -3.29 1.33 0.00 0.00 0.00 0.00 175.76 174.46 2avg n GLN 80 N 8.77 1.75 -1.84 0.00 -0.00 -1.26 -3.81 117.38 120.99 2avg n GLN 80 Ca 0.26 0.64 -0.36 0.00 -0.00 0.00 0.00 57.00 57.54 2avg n GLN 80 Cb 0.49 -2.53 0.06 0.00 -0.00 0.00 0.00 30.24 28.26 2avg n GLN 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2avg s PRO 81 N -2.72 2.70 -0.70 2.61 0.04 -1.26 -1.88 135.00 133.80 2avg s PRO 81 Ca 0.69 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2avg s PRO 81 Cb -0.43 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2avg s PRO 81 CO 0.51 -1.45 0.00 0.00 0.04 0.00 0.00 177.00 176.10 2avg n ALA 82 N -1.83 -0.10 1.23 8.56 0.00 -1.26 -4.82 120.51 122.29 2avg n ALA 82 Ca 0.15 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.83 2avg n ALA 82 Cb 0.49 -1.16 0.61 0.00 0.00 0.00 0.00 19.45 19.39 2avg n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2avg n PHE 83 N -2.55 0.00 0.00 0.00 -0.00 -0.79 -4.75 117.46 109.38 2avg n PHE 83 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 2avg n PHE 83 Cb 0.35 -0.32 0.00 0.00 -0.00 0.00 0.00 39.48 39.51 2avg n PHE 83 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2avg n THR 84 N -1.29 0.00 -1.50 -2.13 -1.04 -1.25 -2.12 114.28 104.95 2avg n THR 84 Ca 0.11 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.59 2avg n THR 84 Cb 0.29 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.73 2avg n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avg n GLY 85 N 0.00 0.59 2.91 3.41 0.00 0.27 -1.38 105.19 111.00 2avg n GLY 85 Ca 0.00 0.94 -0.35 0.00 0.00 0.00 0.00 46.02 46.62 2avg n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avg n GLY 86 N 6.00 4.49 3.65 -0.02 0.00 -1.20 -0.66 105.19 117.46 2avg n GLY 86 Ca 0.38 -2.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 2avg n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2avg s TYR 87 N -1.93 3.29 -0.29 1.61 1.51 -0.39 -3.58 117.35 117.57 2avg s TYR 87 Ca 0.31 1.40 0.02 0.00 -1.01 0.00 0.00 57.07 57.79 2avg s TYR 87 Cb 0.01 -3.37 0.08 0.00 -0.11 0.00 0.00 41.96 38.57 2avg s TYR 87 CO -0.06 -0.55 0.01 1.03 -1.11 0.00 0.00 175.55 174.87 2avg s ARG 88 N 3.30 1.51 -0.14 -0.62 0.52 0.67 -1.25 118.95 122.93 2avg s ARG 88 Ca 0.44 -1.43 -0.19 0.00 -0.52 0.00 0.00 55.73 54.03 2avg s ARG 88 Cb -0.14 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 2avg s ARG 88 CO 0.08 -0.80 0.54 0.00 0.02 0.00 0.00 175.30 175.15 2avg s GLU 90 N 1.07 0.42 -0.07 0.00 2.12 -0.18 0.03 118.70 122.09 2avg s GLU 90 Ca 0.28 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 55.13 2avg s GLU 90 Cb -0.16 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 2avg s GLU 90 CO 0.11 -0.74 0.20 0.08 -0.54 0.00 0.00 175.26 174.37 2avg s VAL 91 N 1.95 5.41 -0.23 3.70 1.01 -0.37 -1.50 120.40 130.38 2avg s VAL 91 Ca 0.02 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 2avg s VAL 91 Cb -0.17 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.80 2avg s VAL 91 CO -0.14 0.54 0.03 -0.44 0.00 0.00 0.00 175.10 175.09 2avg s SER 92 N -1.25 3.38 0.11 3.32 0.01 0.13 -3.08 113.70 116.32 2avg s SER 92 Ca 0.19 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.40 2avg s SER 92 Cb -0.13 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 2avg s SER 92 CO 0.09 -0.31 -0.10 -0.89 0.41 0.00 0.00 173.24 172.44 2avg s THR 93 N 1.70 0.98 0.00 1.44 2.01 -0.74 -1.81 115.64 119.21 2avg s THR 93 Ca 0.00 -1.78 0.00 0.00 0.31 0.00 0.00 61.69 60.22 2avg s THR 93 Cb -0.18 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.81 2avg s THR 93 CO -0.11 -0.64 0.00 2.29 -0.69 0.00 0.00 174.62 175.47 2avg n LYS 94 N 0.29 0.00 0.00 4.92 2.85 -1.26 -0.53 118.16 124.44 2avg n LYS 94 Ca -0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 2avg n LYS 94 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 2avg n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2avg n ASP 95 N 0.00 0.00 -4.65 -5.58 2.03 -1.26 -5.07 116.55 102.03 2avg n ASP 95 Ca 0.00 -0.58 -0.39 0.00 0.52 0.00 0.00 54.79 54.33 2avg n ASP 95 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2avg n ASP 95 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2avg s LYS 96 N 0.00 4.15 -0.17 -0.67 2.36 0.31 -1.12 119.74 124.61 2avg s LYS 96 Ca 0.00 0.40 -0.01 0.00 -2.55 0.00 0.00 55.97 53.82 2avg s LYS 96 Cb 0.00 -3.59 0.04 0.00 -1.05 0.00 0.00 37.83 33.23 2avg s LYS 96 CO 0.00 -0.22 -0.04 0.12 1.55 0.00 0.00 175.35 176.76 2avg s PHE 97 N 1.89 1.63 0.03 4.03 5.36 -1.26 -1.79 117.98 127.86 2avg s PHE 97 Ca 0.24 -1.07 0.05 0.00 -0.96 0.00 0.00 56.93 55.18 2avg s PHE 97 Cb -0.15 -1.28 -0.02 0.00 -0.34 0.00 0.00 43.02 41.23 2avg s PHE 97 CO 0.09 -0.62 -0.13 -0.51 -1.46 0.00 0.00 175.22 172.59 2avg s ASP 98 N 1.66 1.59 -0.00 6.13 1.01 -1.18 -4.98 116.67 120.90 2avg s ASP 98 Ca 0.00 -0.43 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 2avg s ASP 98 Cb -0.16 -0.10 -0.00 0.00 1.01 0.00 0.00 42.92 43.67 2avg s ASP 98 CO -0.07 0.04 0.08 0.00 0.21 0.00 0.00 175.17 175.42 2avg s SER 100 N -1.03 2.11 -0.22 0.00 1.04 0.10 -4.97 113.70 110.74 2avg s SER 100 Ca -0.11 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2avg s SER 100 Cb -0.06 -0.12 0.04 0.00 0.10 0.00 0.00 66.02 65.98 2avg s SER 100 CO 0.00 0.03 -0.15 0.54 0.98 0.00 0.00 173.24 174.64 2avg s ASN 101 N -1.60 3.81 -0.06 7.02 6.03 -1.26 -2.04 114.94 126.84 2avg s ASN 101 Ca 0.03 -1.03 -0.03 0.00 -1.03 0.00 0.00 52.86 50.81 2avg s ASN 101 Cb -0.09 -1.52 0.04 0.00 -3.03 0.00 0.00 41.25 36.65 2avg s ASN 101 CO 0.03 -0.10 0.10 0.72 -2.03 0.00 0.00 177.10 175.82 2avg s PHE 102 N 1.19 -0.03 0.16 1.54 -0.71 -0.38 -4.80 117.98 114.95 2avg s PHE 102 Ca -0.02 0.39 0.04 0.00 -1.04 0.00 0.00 56.93 56.30 2avg s PHE 102 Cb -0.17 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 2avg s PHE 102 CO -0.09 -0.22 0.19 0.54 -1.34 0.00 0.00 175.22 174.30 2avg s ASN 103 N 2.22 5.81 -0.24 1.98 2.20 -1.25 -1.26 114.94 124.39 2avg s ASN 103 Ca 0.04 -0.03 0.02 0.00 -0.94 0.00 0.00 52.86 51.95 2avg s ASN 103 Cb -0.12 -1.60 0.05 0.00 -2.00 0.00 0.00 41.25 37.58 2avg s ASN 103 CO -0.04 0.06 -0.11 -0.22 -2.94 0.00 0.00 177.10 173.85 2avg s LEU 104 N -3.17 2.96 -0.69 3.54 2.96 0.17 -1.18 118.68 123.27 2avg s LEU 104 Ca 0.32 -1.20 -0.18 0.00 -0.22 0.00 0.00 54.13 52.85 2avg s LEU 104 Cb -0.10 -1.42 0.12 0.00 0.50 0.00 0.00 46.19 45.29 2avg s LEU 104 CO 0.25 -0.17 0.81 -0.89 -1.32 0.00 0.00 176.35 175.02 2avg s THR 105 N 1.22 4.88 -0.39 3.68 2.01 0.54 0.98 115.64 128.57 2avg s THR 105 Ca -0.06 -1.27 -0.27 0.00 0.31 0.00 0.00 61.69 60.40 2avg s THR 105 Cb -0.18 -4.55 0.02 0.00 0.01 0.00 0.00 72.50 67.79 2avg s THR 105 CO -0.07 -1.20 0.98 0.54 -0.69 0.00 0.00 174.62 174.18 2avg s VAL 106 N 2.41 4.50 -0.64 3.82 0.11 -1.25 -1.12 120.40 128.25 2avg s VAL 106 Ca 0.17 1.24 -0.23 0.00 -2.93 0.00 0.00 61.98 60.23 2avg s VAL 106 Cb -0.18 -4.40 0.06 0.00 -1.53 0.00 0.00 36.38 30.33 2avg s VAL 106 CO 0.01 -0.63 0.97 -1.00 -3.33 0.00 0.00 175.10 171.12 2avg s HIS 107 N 3.68 2.68 -0.69 1.54 3.76 0.26 -4.57 115.29 121.96 2avg s HIS 107 Ca 0.41 -0.43 -0.26 0.00 -0.15 0.00 0.00 55.06 54.63 2avg s HIS 107 Cb -0.11 -4.25 -0.07 0.00 1.11 0.00 0.00 32.58 29.26 2avg s HIS 107 CO 0.21 -1.60 2.20 -2.00 -0.85 0.00 0.00 174.74 172.69 2avg s GLU 108 N 4.10 2.16 -0.35 1.40 -6.30 -1.26 -2.12 118.70 116.33 2avg s GLU 108 Ca 0.24 0.63 0.15 0.00 -2.50 0.00 0.00 54.97 53.49 2avg s GLU 108 Cb -0.16 -4.70 0.43 0.00 0.00 0.00 0.00 34.13 29.70 2avg s GLU 108 CO 0.12 -3.52 0.90 0.00 0.02 0.00 0.00 175.26 172.78 2avg n ALA 109 N 15.64 3.20 1.94 6.30 0.00 -1.26 -5.02 120.51 141.31 2avg n ALA 109 Ca 0.37 -3.32 0.16 0.00 0.00 0.00 0.00 53.44 50.65 2avg n ALA 109 Cb 0.49 -0.91 0.90 0.00 0.00 0.00 0.00 19.45 19.93 2avg n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17