#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 6.46 -0.17 -1.12 2.15 -1.26 -4.91 116.67 117.81 2avg s ASP 2 Ca 0.00 1.83 -0.01 0.00 0.43 0.00 0.00 52.55 54.80 2avg s ASP 2 Cb 0.00 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 2avg s ASP 2 CO 0.00 -0.70 1.19 -2.65 -0.17 0.00 0.00 175.17 172.85 2avg n PRO 3 N -1.04 0.44 0.07 4.34 -0.02 -1.26 -4.34 135.00 133.19 2avg n PRO 3 Ca 0.08 -0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 60.82 2avg n PRO 3 Cb 0.53 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 2avg n PRO 3 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2avg h ILE 4 N 3.70 1.01 -1.09 4.25 5.03 -1.91 -3.48 117.51 125.01 2avg h ILE 4 Ca 0.10 -0.80 0.00 0.00 -0.12 0.00 0.00 64.86 64.04 2avg h ILE 4 Cb 0.06 1.49 0.00 0.00 -3.03 0.00 0.00 36.82 35.35 2avg h ILE 4 CO 0.99 0.18 0.00 0.61 -0.68 0.00 0.00 178.15 179.26 2avg n GLY 5 N -0.10 0.66 0.37 5.37 0.00 -1.26 -4.86 105.19 105.37 2avg n GLY 5 Ca -0.09 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.64 2avg n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2avg h LEU 6 N 0.00 0.77 -7.76 0.99 5.85 -1.91 -3.20 115.31 110.05 2avg h LEU 6 Ca 0.00 0.03 -0.76 0.00 0.84 0.00 0.00 57.88 57.99 2avg h LEU 6 Cb 0.68 -0.12 -0.23 0.00 0.37 0.00 0.00 40.66 41.36 2avg h LEU 6 CO 0.00 0.42 0.58 -0.36 -0.34 0.00 0.00 178.44 178.74 2avg s PHE 7 N -5.79 3.75 0.12 1.25 0.40 -1.26 -1.79 117.98 114.67 2avg s PHE 7 Ca -0.11 -2.13 -0.08 0.00 -0.60 0.00 0.00 56.93 54.02 2avg s PHE 7 Cb 0.21 -4.01 -0.12 0.00 0.51 0.00 0.00 43.02 39.62 2avg s PHE 7 CO 0.79 -1.15 1.30 0.28 0.70 0.00 0.00 175.22 177.14 2avg h VAL 8 N 4.61 1.34 -2.70 -0.44 2.07 -1.20 -3.45 116.25 116.48 2avg h VAL 8 Ca 0.18 -2.25 -0.12 0.00 0.82 0.00 0.00 66.70 65.33 2avg h VAL 8 Cb 0.95 2.27 -0.26 0.00 -1.52 0.00 0.00 31.29 32.74 2avg h VAL 8 CO 0.99 0.69 -0.28 -0.32 0.02 0.00 0.00 177.57 178.67 2avg s MET 9 N -3.43 0.42 -0.10 1.57 -2.45 -1.08 -4.95 119.30 109.28 2avg s MET 9 Ca -0.08 0.68 -0.02 0.00 -1.25 0.00 0.00 55.69 55.03 2avg s MET 9 Cb 0.09 0.08 -0.03 0.00 1.25 0.00 0.00 34.83 36.22 2avg s MET 9 CO 0.88 -0.11 -0.03 -0.98 1.05 0.00 0.00 175.02 175.83 2avg s ARG 10 N 0.88 3.13 0.23 4.11 1.70 -1.26 -1.77 118.95 125.96 2avg s ARG 10 Ca -0.05 -0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 2avg s ARG 10 Cb -0.06 -2.77 -0.09 0.00 -0.57 0.00 0.00 34.95 31.46 2avg s ARG 10 CO -0.07 0.55 1.05 -1.25 -1.08 0.00 0.00 175.30 174.50 2avg s PRO 11 N -0.47 4.68 0.65 3.89 0.05 -1.20 -4.98 135.00 137.61 2avg s PRO 11 Ca 0.08 1.68 -0.04 0.00 0.05 0.00 0.00 61.00 62.78 2avg s PRO 11 Cb -0.12 -3.25 0.14 0.00 0.05 0.00 0.00 34.50 31.32 2avg s PRO 11 CO 0.02 0.24 0.89 0.00 0.05 0.00 0.00 177.00 178.20 2avg n GLN 12 N 1.73 -0.25 0.00 4.56 -0.00 -1.26 -4.36 117.38 117.79 2avg n GLN 12 Ca 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 57.00 54.91 2avg n GLN 12 Cb 0.46 -0.69 0.00 0.00 -0.00 0.00 0.00 30.24 30.01 2avg n GLN 12 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2avg n ASP 13 N -3.12 0.00 0.00 2.61 5.75 -1.26 -4.55 116.55 115.98 2avg n ASP 13 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 2avg n ASP 13 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 3.65 4.13 3.19 6.12 0.00 -0.09 -4.77 105.19 117.42 2avg n GLY 14 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.65 3.08 0.12 1.61 2.02 -1.26 0.49 118.70 123.11 2avg s GLU 15 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.21 2avg s GLU 15 Cb 0.00 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 2avg s GLU 15 CO 0.00 -0.24 -0.03 0.14 0.02 0.00 0.00 175.26 175.16 2avg s VAL 16 N 1.35 0.57 0.35 2.63 -7.23 -0.40 -4.92 120.40 112.75 2avg s VAL 16 Ca 0.04 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 2avg s VAL 16 Cb -0.14 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2avg s VAL 16 CO -0.09 -0.71 0.62 -0.89 -0.31 0.00 0.00 175.10 173.72 2avg s THR 17 N -3.71 4.99 -0.38 5.32 2.01 -1.26 0.14 115.64 122.74 2avg s THR 17 Ca 0.17 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 2avg s THR 17 Cb 0.06 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2avg s THR 17 CO -0.02 -0.48 1.93 -0.69 -0.69 0.00 0.00 174.62 174.67 2avg s VAL 18 N -2.27 3.34 0.00 3.82 1.01 -0.36 -1.39 120.40 124.55 2avg s VAL 18 Ca 0.45 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2avg s VAL 18 Cb -0.10 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2avg s VAL 18 CO 0.34 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2avg n GLY 19 N 5.58 1.38 0.00 4.51 0.00 -1.26 -4.95 105.19 110.45 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 -0.93 0.49 3.48 -0.02 0.00 -0.49 -4.67 105.19 103.04 2avg n GLY 20 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2avg n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2avg s SER 21 N -1.00 -0.14 -0.00 1.61 1.04 -1.26 0.32 113.70 114.27 2avg s SER 21 Ca 0.00 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 2avg s SER 21 Cb 0.00 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2avg s SER 21 CO 0.00 -1.02 0.24 -0.51 0.98 0.00 0.00 173.24 172.94 2avg s ILE 22 N -3.92 0.07 -0.03 -1.02 1.10 0.22 -4.77 121.20 112.85 2avg s ILE 22 Ca 0.13 -0.58 -0.01 0.00 -0.51 0.00 0.00 60.65 59.68 2avg s ILE 22 Cb 0.00 -0.58 0.03 0.00 0.15 0.00 0.00 42.46 42.06 2avg s ILE 22 CO -0.00 -0.32 0.03 -0.89 -2.11 0.00 0.00 174.94 171.64 2avg s THR 23 N -1.47 0.03 0.11 4.00 2.01 -1.26 -1.75 115.64 117.31 2avg s THR 23 Ca -0.13 0.24 0.09 0.00 0.31 0.00 0.00 61.69 62.19 2avg s THR 23 Cb -0.06 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2avg s THR 23 CO 0.03 0.15 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.52 2avg s PHE 24 N 1.48 1.93 -0.04 4.92 0.08 -1.14 -4.98 117.98 120.22 2avg s PHE 24 Ca -0.04 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 2avg s PHE 24 Cb -0.13 -1.05 0.03 0.00 -0.57 0.00 0.00 43.02 41.30 2avg s PHE 24 CO -0.03 0.24 0.09 -1.12 -0.10 0.00 0.00 175.22 174.31 2avg s SER 25 N -1.96 -0.04 -0.17 1.36 0.01 -1.26 0.52 113.70 112.16 2avg s SER 25 Ca 0.08 0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.53 2avg s SER 25 Cb -0.10 0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.26 2avg s SER 25 CO 0.05 -0.13 -0.07 0.00 0.41 0.00 0.00 173.24 173.50 2avg s ALA 26 N 0.99 1.65 -0.23 1.44 0.00 0.10 -3.26 121.76 122.45 2avg s ALA 26 Ca -0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 2avg s ALA 26 Cb -0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2avg s ALA 26 CO -0.04 -0.75 0.07 1.03 0.00 0.00 0.00 175.76 176.07 2avg s ARG 27 N 1.56 3.78 -0.10 0.00 0.52 -0.73 -0.53 118.95 123.45 2avg s ARG 27 Ca 0.01 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2avg s ARG 27 Cb -0.15 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.02 2avg s ARG 27 CO -0.08 -0.03 -0.18 0.08 0.02 0.00 0.00 175.30 175.11 2avg s VAL 28 N 1.20 1.66 -0.14 3.52 1.01 0.57 -1.34 120.40 126.89 2avg s VAL 28 Ca 0.05 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2avg s VAL 28 Cb -0.14 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 2avg s VAL 28 CO 0.04 0.47 2.07 0.00 0.00 0.00 0.00 175.10 177.67 2avg s ALA 29 N 0.72 3.07 0.06 5.51 0.00 -0.74 0.54 121.76 130.92 2avg s ALA 29 Ca -0.12 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 2avg s ALA 29 Cb -0.16 -3.98 -0.07 0.00 0.00 0.00 0.00 23.12 18.91 2avg s ALA 29 CO 0.02 -2.31 1.29 0.78 0.00 0.00 0.00 175.76 175.55 2avg h GLY 30 N 13.23 -1.26 -1.81 0.00 0.00 -0.08 -3.43 103.07 109.71 2avg h GLY 30 Ca -0.43 0.64 0.22 0.00 0.00 0.00 0.00 47.33 47.76 2avg h GLY 30 CO 0.96 -0.38 -0.29 0.00 0.00 0.00 0.00 176.54 176.83 2avg n ALA 31 N -2.75 -2.10 -2.70 3.60 0.00 -1.26 -4.59 120.51 110.70 2avg n ALA 31 Ca -0.04 0.26 -0.44 0.00 0.00 0.00 0.00 53.44 53.22 2avg n ALA 31 Cb 0.21 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 2avg n ALA 31 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2avg s SER 32 N -5.77 6.20 0.26 0.00 1.04 -1.26 -5.03 113.70 109.14 2avg s SER 32 Ca 0.00 -0.94 -0.12 0.00 0.48 0.00 0.00 55.95 55.36 2avg s SER 32 Cb 0.00 -2.24 -0.00 0.00 0.10 0.00 0.00 66.02 63.88 2avg s SER 32 CO 0.00 -0.73 0.49 -1.48 0.98 0.00 0.00 173.24 172.50 2avg s LEU 33 N 2.21 0.36 0.10 2.42 2.34 -1.26 -4.90 118.68 119.94 2avg s LEU 33 Ca 0.11 -0.98 -0.22 0.00 0.06 0.00 0.00 54.13 53.10 2avg s LEU 33 Cb -0.20 1.79 -0.12 0.00 -0.56 0.00 0.00 46.19 47.10 2avg s LEU 33 CO 0.11 -1.18 1.72 0.25 -1.06 0.00 0.00 176.35 176.20 2avg h LEU 34 N 2.23 0.11 -7.60 1.48 5.85 -1.96 -3.45 115.31 111.97 2avg h LEU 34 Ca -0.26 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 2avg h LEU 34 Cb 1.25 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.10 2avg h LEU 34 CO 0.36 0.11 -0.24 -1.59 -0.34 0.00 0.00 178.44 176.74 2avg s LYS 35 N -6.04 0.89 0.22 1.25 0.00 -1.26 -5.09 119.74 109.71 2avg s LYS 35 Ca -0.13 -0.72 -0.28 0.00 0.00 0.00 0.00 55.97 54.83 2avg s LYS 35 Cb 0.07 0.38 -0.16 0.00 0.00 0.00 0.00 37.83 38.12 2avg s LYS 35 CO 0.68 -0.31 0.67 -2.30 0.00 0.00 0.00 175.35 174.09 2avg n PRO 36 N 0.13 0.37 -1.68 1.78 -0.02 -1.26 -4.72 135.00 129.60 2avg n PRO 36 Ca -0.17 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 2avg n PRO 36 Cb 0.62 -1.25 0.01 0.00 -0.02 0.00 0.00 33.50 32.85 2avg n PRO 36 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2avg n PRO 37 N 0.96 1.83 -3.36 0.52 -0.02 -1.26 -4.92 135.00 128.74 2avg n PRO 37 Ca 0.16 0.65 -0.44 0.00 -2.02 0.00 0.00 63.50 61.85 2avg n PRO 37 Cb 0.26 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2avg s VAL 38 N -1.18 5.17 -0.28 -1.45 1.01 -0.97 -4.93 120.40 117.76 2avg s VAL 38 Ca 0.60 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 2avg s VAL 38 Cb -0.55 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 31.73 2avg s VAL 38 CO 0.59 -0.56 0.06 -0.69 0.00 0.00 0.00 175.10 174.50 2avg s VAL 39 N 1.84 3.82 -0.17 2.92 1.01 -1.26 0.22 120.40 128.78 2avg s VAL 39 Ca 0.07 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 2avg s VAL 39 Cb -0.22 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2avg s VAL 39 CO 0.09 0.11 0.04 -1.59 0.00 0.00 0.00 175.10 173.75 2avg s LYS 40 N 1.48 3.88 0.08 2.72 0.00 0.29 -4.97 119.74 123.23 2avg s LYS 40 Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 55.97 55.53 2avg s LYS 40 Cb -0.17 -3.15 -0.06 0.00 0.00 0.00 0.00 37.83 34.46 2avg s LYS 40 CO 0.01 0.30 0.39 -1.58 0.00 0.00 0.00 175.35 174.48 2avg s TRP 41 N 0.29 3.58 -0.07 1.78 0.52 -1.26 -1.05 118.94 122.73 2avg s TRP 41 Ca 0.02 0.77 0.03 0.00 0.02 0.00 0.00 56.10 56.94 2avg s TRP 41 Cb -0.13 -2.15 0.01 0.00 -1.15 0.00 0.00 33.47 30.05 2avg s TRP 41 CO 0.01 0.52 -0.15 0.12 0.02 0.00 0.00 176.95 177.47 2avg s PHE 42 N -1.40 1.68 -0.36 -1.98 2.19 -0.82 -3.62 117.98 113.67 2avg s PHE 42 Ca 0.33 -0.61 -0.10 0.00 0.33 0.00 0.00 56.93 56.87 2avg s PHE 42 Cb -0.14 -1.19 0.02 0.00 -1.31 0.00 0.00 43.02 40.41 2avg s PHE 42 CO 0.18 -0.28 0.19 0.21 1.83 0.00 0.00 175.22 177.35 2avg s LYS 43 N 0.51 2.94 -0.93 10.12 2.20 0.14 -1.29 119.74 133.42 2avg s LYS 43 Ca -0.14 -0.99 -0.23 0.00 -0.36 0.00 0.00 55.97 54.24 2avg s LYS 43 Cb -0.15 -3.67 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 2avg s LYS 43 CO 0.04 -0.62 1.36 0.20 -0.36 0.00 0.00 175.35 175.97 2avg s GLY 44 N 1.56 1.24 -0.15 5.54 0.00 -0.49 -1.33 107.32 113.69 2avg s GLY 44 Ca 0.02 -2.09 -0.10 0.00 0.00 0.00 0.00 44.72 42.55 2avg s GLY 44 CO 0.06 2.59 -0.24 1.17 0.00 0.00 0.00 173.10 176.69 2avg n LYS 45 N 8.73 0.38 0.00 2.90 4.81 -1.25 -1.58 118.16 132.14 2avg n LYS 45 Ca 0.24 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 2avg n LYS 45 Cb 0.50 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.41 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 2avg n TRP 46 N -3.96 0.00 -2.85 5.64 4.27 -1.21 -5.01 117.44 114.33 2avg n TRP 46 Ca -0.26 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.15 2avg n TRP 46 Cb 0.60 0.03 0.05 0.00 -1.36 0.00 0.00 31.31 30.62 2avg n TRP 46 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 2avg s VAL 47 N 0.00 2.56 0.02 -1.67 -7.23 -0.44 -4.93 120.40 108.71 2avg s VAL 47 Ca 0.00 -0.84 0.03 0.00 -1.81 0.00 0.00 61.98 59.36 2avg s VAL 47 Cb 0.00 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2avg s VAL 47 CO 0.00 0.00 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.12 2avg s ASP 48 N -4.51 4.74 0.04 4.85 -1.08 -1.26 0.25 116.67 119.69 2avg s ASP 48 Ca 0.59 -0.14 -0.12 0.00 -0.52 0.00 0.00 52.55 52.37 2avg s ASP 48 Cb -0.08 -1.12 -0.33 0.00 -1.46 0.00 0.00 42.92 39.93 2avg s ASP 48 CO 0.38 0.27 1.02 -0.07 0.52 0.00 0.00 175.17 177.28 2avg h LEU 49 N 4.33 0.69 -2.33 -1.34 4.07 -1.88 -3.31 115.31 115.54 2avg h LEU 49 Ca -0.48 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 56.71 2avg h LEU 49 Cb 1.17 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2avg h LEU 49 CO 0.55 1.60 0.00 -1.28 -1.08 0.00 0.00 178.44 178.23 2avg h SER 50 N 0.12 0.00 1.35 -0.43 0.87 -1.97 0.77 113.55 114.26 2avg h SER 50 Ca -0.22 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 2avg h SER 50 Cb 2.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.05 2avg h SER 50 CO 0.25 0.00 -0.67 0.28 -0.53 0.00 0.00 176.83 176.15 2avg h SER 51 N 0.00 0.00 0.00 6.23 0.02 -1.97 -3.41 113.55 114.41 2avg h SER 51 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2avg h SER 51 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2avg h SER 51 CO 0.00 0.26 -0.13 0.29 -1.14 0.00 0.00 176.83 176.11 2avg n LYS 52 N -2.99 0.07 -0.15 3.45 4.76 0.24 -5.04 118.16 118.49 2avg n LYS 52 Ca -0.00 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2avg n LYS 52 Cb 0.66 -0.45 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 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 -2.88 0.00 0.00 -0.18 0.31 0.55 -4.86 118.33 111.27 2avg n VAL 53 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2avg n VAL 53 Cb 0.07 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.25 4.34 0.33 2.92 0.00 0.41 -4.85 105.19 108.58 2avg n GLY 54 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.62 2avg n GLY 54 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2avg h GLN 55 N 0.00 0.86 0.02 1.61 7.50 -1.96 -2.88 115.11 120.25 2avg h GLN 55 Ca 0.00 -0.07 -0.38 0.00 0.50 0.00 0.00 58.65 58.70 2avg h GLN 55 Cb 0.00 -0.18 -0.06 0.00 0.05 0.00 0.00 27.48 27.28 2avg h GLN 55 CO 0.00 0.60 -2.35 -2.39 -1.50 0.00 0.00 178.83 173.20 2avg n HIS 56 N -4.41 0.22 -3.92 2.96 1.44 -1.26 -4.73 115.22 105.52 2avg n HIS 56 Ca 0.06 0.06 -0.34 0.00 -2.01 0.00 0.00 57.72 55.49 2avg n HIS 56 Cb 0.07 -1.03 -0.14 0.00 0.12 0.00 0.00 29.99 29.02 2avg n HIS 56 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2avg s LEU 57 N -6.26 4.56 -0.34 2.39 0.20 -1.18 0.52 118.68 118.57 2avg s LEU 57 Ca -0.24 -1.80 -0.13 0.00 0.69 0.00 0.00 54.13 52.64 2avg s LEU 57 Cb 0.08 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 2avg s LEU 57 CO 0.70 -0.38 0.26 -1.10 -0.29 0.00 0.00 176.35 175.54 2avg s GLN 58 N 1.09 3.54 -0.74 1.98 1.11 0.12 0.15 119.66 126.91 2avg s GLN 58 Ca 0.04 -0.58 -0.15 0.00 0.01 0.00 0.00 55.36 54.68 2avg s GLN 58 Cb -0.21 -3.80 0.18 0.00 -1.01 0.00 0.00 33.01 28.18 2avg s GLN 58 CO -0.05 -0.44 0.72 -1.17 0.01 0.00 0.00 175.29 174.36 2avg s LEU 59 N 1.78 6.42 0.40 2.90 0.20 -1.26 0.29 118.68 129.41 2avg s LEU 59 Ca 0.07 -2.34 0.01 0.00 0.69 0.00 0.00 54.13 52.56 2avg s LEU 59 Cb -0.17 -2.23 -0.02 0.00 -0.43 0.00 0.00 46.19 43.35 2avg s LEU 59 CO 0.11 -0.71 0.60 -1.00 -0.29 0.00 0.00 176.35 175.05 2avg s HIS 60 N 0.85 3.32 -0.16 5.38 3.76 0.36 -4.90 115.29 123.92 2avg s HIS 60 Ca 0.15 0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 55.25 2avg s HIS 60 Cb -0.16 -2.11 0.05 0.00 1.11 0.00 0.00 32.58 31.48 2avg s HIS 60 CO -0.05 -0.13 0.05 0.16 -0.85 0.00 0.00 174.74 173.93 2avg s ASP 61 N -4.14 2.39 0.15 1.40 -4.77 -1.26 0.62 116.67 111.08 2avg s ASP 61 Ca 0.44 -0.58 -0.04 0.00 -3.30 0.00 0.00 52.55 49.08 2avg s ASP 61 Cb -0.10 -0.41 -0.05 0.00 -1.09 0.00 0.00 42.92 41.27 2avg s ASP 61 CO 0.36 -0.30 0.38 -0.44 0.70 0.00 0.00 175.17 175.87 2avg s SER 62 N 2.00 6.47 -0.30 2.11 0.01 0.29 -4.90 113.70 119.38 2avg s SER 62 Ca 0.01 0.56 -0.02 0.00 1.31 0.00 0.00 55.95 57.82 2avg s SER 62 Cb -0.16 -2.08 0.12 0.00 0.21 0.00 0.00 66.02 64.12 2avg s SER 62 CO -0.08 0.03 0.23 -0.47 0.41 0.00 0.00 173.24 173.36 2avg s TYR 63 N -1.70 -0.03 -0.38 2.43 5.04 -1.26 0.43 117.35 121.87 2avg s TYR 63 Ca 0.41 -0.63 -0.06 0.00 -2.44 0.00 0.00 57.07 54.35 2avg s TYR 63 Cb -0.12 -0.68 0.07 0.00 0.35 0.00 0.00 41.96 41.59 2avg s TYR 63 CO 0.26 -0.88 0.18 0.16 -1.34 0.00 0.00 175.55 173.92 2avg s ASP 64 N 2.09 5.37 0.20 4.32 -4.77 -0.11 -4.95 116.67 118.81 2avg s ASP 64 Ca 0.10 -1.52 0.07 0.00 -3.30 0.00 0.00 52.55 47.90 2avg s ASP 64 Cb -0.16 -1.88 0.09 0.00 -1.09 0.00 0.00 42.92 39.88 2avg s ASP 64 CO -0.30 -0.46 1.45 -0.09 0.70 0.00 0.00 175.17 176.47 2avg h ARG 65 N 8.22 0.06 0.00 2.11 1.12 -1.94 0.52 114.38 124.48 2avg h ARG 65 Ca -0.20 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.57 2avg h ARG 65 Cb 1.07 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.04 2avg h ARG 65 CO 0.68 0.83 -0.19 0.00 -3.11 0.00 0.00 179.97 178.17 2avg h ALA 66 N 1.15 1.13 0.00 2.80 0.00 -1.95 -1.31 119.26 121.09 2avg h ALA 66 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2avg h ALA 66 Cb 1.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2avg h ALA 66 CO 0.11 0.24 -1.20 0.45 0.00 0.00 0.00 179.25 178.85 2avg n SER 67 N -3.51 0.77 -1.66 0.00 2.88 -1.07 -4.98 113.62 106.06 2avg n SER 67 Ca -0.01 -0.73 -0.14 0.00 -1.33 0.00 0.00 58.87 56.66 2avg n SER 67 Cb 0.35 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.05 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 -1.66 -1.59 -4.87 -1.46 4.81 0.16 -4.95 118.16 108.60 2avg n LYS 68 Ca 0.02 0.64 -0.27 0.00 -0.87 0.00 0.00 58.31 57.83 2avg n LYS 68 Cb 0.37 -4.87 -0.16 0.00 0.02 0.00 0.00 35.03 30.38 2avg n LYS 68 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2avg s VAL 69 N -2.74 1.51 -0.39 3.15 1.01 0.18 0.67 120.40 123.79 2avg s VAL 69 Ca 0.05 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 2avg s VAL 69 Cb -0.02 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2avg s VAL 69 CO 0.06 0.43 0.33 -0.31 0.00 0.00 0.00 175.10 175.62 2avg s TYR 70 N 0.19 3.22 -0.48 5.22 1.51 0.19 -0.94 117.35 126.25 2avg s TYR 70 Ca -0.08 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.43 2avg s TYR 70 Cb -0.13 -2.66 0.09 0.00 -0.11 0.00 0.00 41.96 39.14 2avg s TYR 70 CO 0.04 -0.56 0.40 -1.17 -1.11 0.00 0.00 175.55 173.15 2avg s LEU 71 N 1.85 5.69 -0.39 -1.29 2.96 0.17 -0.31 118.68 127.36 2avg s LEU 71 Ca 0.08 -1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 52.28 2avg s LEU 71 Cb -0.18 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.36 2avg s LEU 71 CO 0.11 -0.68 0.91 -0.36 -1.32 0.00 0.00 176.35 175.01 2avg s PHE 72 N 1.60 3.05 -0.16 5.38 0.40 0.31 0.10 117.98 128.67 2avg s PHE 72 Ca 0.04 0.66 0.01 0.00 -0.60 0.00 0.00 56.93 57.04 2avg s PHE 72 Cb -0.25 -3.70 0.01 0.00 0.51 0.00 0.00 43.02 39.59 2avg s PHE 72 CO 0.05 -0.88 -0.18 -1.83 0.70 0.00 0.00 175.22 173.09 2avg s GLU 73 N 3.50 3.12 -0.16 0.44 -1.05 0.20 0.01 118.70 124.75 2avg s GLU 73 Ca 0.37 -0.79 -0.18 0.00 -0.15 0.00 0.00 54.97 54.22 2avg s GLU 73 Cb -0.12 -2.58 -0.04 0.00 -0.44 0.00 0.00 34.13 30.96 2avg s GLU 73 CO 0.20 -0.05 0.49 -0.51 0.95 0.00 0.00 175.26 176.34 2avg s LEU 74 N 0.95 4.21 -0.45 1.83 2.01 0.18 -0.48 118.68 126.93 2avg s LEU 74 Ca -0.03 0.73 0.00 0.00 0.01 0.00 0.00 54.13 54.84 2avg s LEU 74 Cb -0.15 -2.69 0.12 0.00 0.01 0.00 0.00 46.19 43.48 2avg s LEU 74 CO -0.03 -0.09 0.22 -1.00 1.01 0.00 0.00 176.35 176.45 2avg s HIS 75 N 1.16 3.54 -0.33 0.29 3.76 0.15 -2.89 115.29 120.96 2avg s HIS 75 Ca 0.25 -2.78 0.03 0.00 -0.15 0.00 0.00 55.06 52.41 2avg s HIS 75 Cb -0.15 -3.07 0.10 0.00 1.11 0.00 0.00 32.58 30.57 2avg s HIS 75 CO 0.10 -0.90 0.05 0.42 -0.85 0.00 0.00 174.74 173.56 2avg s ILE 76 N 0.59 2.03 0.15 0.60 1.01 -0.72 0.11 121.20 124.97 2avg s ILE 76 Ca 0.12 -2.15 0.04 0.00 0.00 0.00 0.00 60.65 58.67 2avg s ILE 76 Cb -0.22 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2avg s ILE 76 CO -0.04 -0.59 0.17 0.42 0.00 0.00 0.00 174.94 174.90 2avg s THR 77 N 1.03 4.71 -0.23 2.92 -4.23 0.19 0.71 115.64 120.74 2avg s THR 77 Ca 0.10 -0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 59.51 2avg s THR 77 Cb -0.19 -3.40 0.02 0.00 1.34 0.00 0.00 72.50 70.28 2avg s THR 77 CO -0.11 -0.08 0.28 -0.90 -0.54 0.00 0.00 174.62 173.28 2avg n ASP 78 N -0.31 -6.50 -4.75 3.99 5.75 0.15 -4.60 116.55 110.29 2avg n ASP 78 Ca -0.08 0.35 -0.41 0.00 -0.01 0.00 0.00 54.79 54.64 2avg n ASP 78 Cb 0.54 -2.38 -0.03 0.00 -1.03 0.00 0.00 41.12 38.22 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 -1.38 3.45 0.18 2.12 0.00 -1.26 -4.70 121.76 120.17 2avg s ALA 79 Ca 0.15 1.00 -0.32 0.00 0.00 0.00 0.00 51.96 52.80 2avg s ALA 79 Cb -0.02 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 2avg s ALA 79 CO 0.46 -0.38 1.60 -1.14 0.00 0.00 0.00 175.76 176.30 2avg s GLN 80 N -0.72 4.20 0.20 0.00 2.00 -1.26 -4.12 119.66 119.96 2avg s GLN 80 Ca 0.51 2.41 0.13 0.00 -2.00 0.00 0.00 55.36 56.41 2avg s GLN 80 Cb -0.34 -3.14 0.70 0.00 0.80 0.00 0.00 33.01 31.03 2avg s GLN 80 CO 0.40 -0.63 1.37 -0.35 -0.50 0.00 0.00 175.29 175.58 2avg n PRO 81 N 3.93 0.08 -0.56 1.67 -0.04 -1.26 -0.79 135.00 138.04 2avg n PRO 81 Ca 0.14 0.57 0.06 0.00 -0.04 0.00 0.00 63.50 64.23 2avg n PRO 81 Cb 0.38 -1.82 0.20 0.00 -0.04 0.00 0.00 33.50 32.22 2avg n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2avg n ALA 82 N -1.64 3.47 0.05 0.55 0.00 -1.26 -4.63 120.51 117.06 2avg n ALA 82 Ca -0.01 -3.20 -0.07 0.00 0.00 0.00 0.00 53.44 50.15 2avg n ALA 82 Cb 0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 2avg n ALA 82 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2avg h PHE 83 N 0.88 -0.22 -6.70 0.00 0.04 -1.25 -3.46 116.94 106.23 2avg h PHE 83 Ca -0.00 -0.01 -0.54 0.00 2.80 0.00 0.00 57.97 60.22 2avg h PHE 83 Cb 1.02 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 2avg h PHE 83 CO 0.66 0.07 -0.98 2.41 -0.60 0.00 0.00 178.31 179.87 2avg n THR 84 N -4.92 -3.60 -1.44 -1.55 -1.04 -1.22 -3.92 114.28 96.59 2avg n THR 84 Ca -0.05 -0.70 -0.13 0.00 -2.04 0.00 0.00 64.05 61.12 2avg n THR 84 Cb 0.20 -2.86 -0.11 0.00 -1.82 0.00 0.00 70.33 65.73 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 -2.00 -0.29 3.43 3.41 0.00 0.21 -4.25 105.19 105.71 2avg n GLY 85 Ca -0.13 0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2avg n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2avg s GLY 86 N 5.56 2.58 -0.47 -0.02 0.00 -0.62 0.11 107.32 114.46 2avg s GLY 86 Ca 0.81 -3.45 -0.29 0.00 0.00 0.00 0.00 44.72 41.80 2avg s GLY 86 CO 0.21 1.88 1.22 -0.19 0.00 0.00 0.00 173.10 176.22 2avg s TYR 87 N 0.97 2.69 -0.51 1.90 1.51 0.12 -1.40 117.35 122.63 2avg s TYR 87 Ca 0.39 0.69 -0.19 0.00 -1.01 0.00 0.00 57.07 56.95 2avg s TYR 87 Cb -0.05 -4.42 0.06 0.00 -0.11 0.00 0.00 41.96 37.45 2avg s TYR 87 CO -0.02 -1.48 0.63 1.03 -1.11 0.00 0.00 175.55 174.59 2avg s ARG 88 N 4.63 3.11 -0.20 -0.62 0.52 -0.42 -2.61 118.95 123.37 2avg s ARG 88 Ca 0.51 -0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 54.64 2avg s ARG 88 Cb -0.09 -4.11 -0.04 0.00 0.52 0.00 0.00 34.95 31.23 2avg s ARG 88 CO 0.32 -1.24 0.34 0.00 0.02 0.00 0.00 175.30 174.74 2avg s GLU 90 N 1.10 0.83 -0.02 0.00 2.02 -0.22 -0.13 118.70 122.28 2avg s GLU 90 Ca 0.17 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.12 2avg s GLU 90 Cb -0.14 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 2avg s GLU 90 CO 0.07 -0.34 0.00 0.54 0.02 0.00 0.00 175.26 175.55 2avg s VAL 91 N 1.89 4.21 -0.14 2.63 0.11 -0.71 -0.55 120.40 127.85 2avg s VAL 91 Ca 0.04 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.54 2avg s VAL 91 Cb -0.13 -2.86 0.05 0.00 -1.53 0.00 0.00 36.38 31.92 2avg s VAL 91 CO -0.06 0.43 0.09 -0.44 -3.33 0.00 0.00 175.10 171.79 2avg s SER 92 N -1.41 1.96 0.37 3.54 0.01 0.13 -3.12 113.70 115.18 2avg s SER 92 Ca 0.18 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.08 2avg s SER 92 Cb -0.11 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2avg s SER 92 CO 0.09 -0.32 0.11 -0.89 0.41 0.00 0.00 173.24 172.63 2avg s THR 93 N 2.16 0.74 0.00 1.44 2.01 -0.79 -2.30 115.64 118.90 2avg s THR 93 Ca 0.03 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.03 2avg s THR 93 Cb -0.15 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.86 2avg s THR 93 CO -0.08 0.00 0.00 2.29 -0.69 0.00 0.00 174.62 176.14 2avg n LYS 94 N -0.79 0.00 0.00 4.92 -0.00 -1.26 -2.37 118.16 118.65 2avg n LYS 94 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2avg n LYS 94 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.68 2avg n LYS 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2avg n ASP 95 N -1.67 0.00 -4.67 -5.58 2.03 -1.26 -5.04 116.55 100.36 2avg n ASP 95 Ca 0.00 -0.20 -0.39 0.00 0.52 0.00 0.00 54.79 54.72 2avg n ASP 95 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2avg n ASP 95 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2avg s LYS 96 N 0.00 4.22 -0.04 -0.67 -0.14 -1.00 -1.93 119.74 120.18 2avg s LYS 96 Ca 0.00 0.47 0.02 0.00 -1.36 0.00 0.00 55.97 55.10 2avg s LYS 96 Cb 0.00 -3.55 0.01 0.00 -1.68 0.00 0.00 37.83 32.61 2avg s LYS 96 CO 0.00 -0.12 -0.09 0.12 -0.76 0.00 0.00 175.35 174.49 2avg s PHE 97 N 1.54 1.06 -0.02 3.18 5.36 -1.26 -1.89 117.98 125.95 2avg s PHE 97 Ca 0.25 -0.30 -0.22 0.00 -0.96 0.00 0.00 56.93 55.70 2avg s PHE 97 Cb -0.15 -0.78 0.04 0.00 -0.34 0.00 0.00 43.02 41.79 2avg s PHE 97 CO 0.10 -0.15 0.47 -0.51 -1.46 0.00 0.00 175.22 173.67 2avg s ASP 98 N 0.39 -0.39 0.01 6.13 1.01 -1.18 -5.02 116.67 117.62 2avg s ASP 98 Ca -0.07 0.33 -0.04 0.00 0.71 0.00 0.00 52.55 53.49 2avg s ASP 98 Cb -0.11 0.42 -0.01 0.00 1.01 0.00 0.00 42.92 44.23 2avg s ASP 98 CO 0.01 -0.54 0.06 0.00 0.21 0.00 0.00 175.17 174.91 2avg s SER 100 N -1.48 1.76 0.15 0.00 1.04 0.81 -4.99 113.70 110.99 2avg s SER 100 Ca -0.15 -0.28 -0.26 0.00 0.48 0.00 0.00 55.95 55.74 2avg s SER 100 Cb -0.08 -0.47 -0.07 0.00 0.10 0.00 0.00 66.02 65.49 2avg s SER 100 CO 0.00 0.12 0.81 0.54 0.98 0.00 0.00 173.24 175.68 2avg s ASN 101 N 0.09 7.39 -0.15 7.02 4.22 -1.26 -2.12 114.94 130.13 2avg s ASN 101 Ca -0.03 1.65 -0.08 0.00 -2.14 0.00 0.00 52.86 52.26 2avg s ASN 101 Cb -0.10 -2.51 0.06 0.00 1.28 0.00 0.00 41.25 39.97 2avg s ASN 101 CO 0.01 0.15 0.36 0.72 -2.04 0.00 0.00 177.10 176.30 2avg s PHE 102 N -0.86 -0.54 -0.16 1.54 -0.71 -1.07 -4.36 117.98 111.81 2avg s PHE 102 Ca 0.38 1.16 -0.01 0.00 -1.04 0.00 0.00 56.93 57.42 2avg s PHE 102 Cb -0.23 0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 2avg s PHE 102 CO 0.27 -0.33 -0.11 0.54 -1.34 0.00 0.00 175.22 174.26 2avg s ASN 103 N 1.49 4.05 -0.45 1.98 2.20 -1.24 0.14 114.94 123.12 2avg s ASN 103 Ca -0.09 -0.37 -0.12 0.00 -0.94 0.00 0.00 52.86 51.35 2avg s ASN 103 Cb -0.09 -1.65 0.08 0.00 -2.00 0.00 0.00 41.25 37.59 2avg s ASN 103 CO -0.12 0.09 0.33 -0.22 -2.94 0.00 0.00 177.10 174.25 2avg s LEU 104 N 0.80 5.44 -0.80 3.54 2.96 0.29 -0.91 118.68 130.00 2avg s LEU 104 Ca -0.04 -1.50 -0.23 0.00 -0.22 0.00 0.00 54.13 52.14 2avg s LEU 104 Cb -0.15 -2.07 0.07 0.00 0.50 0.00 0.00 46.19 44.53 2avg s LEU 104 CO 0.01 -0.61 1.16 -0.89 -1.32 0.00 0.00 176.35 174.70 2avg s THR 105 N 1.51 4.17 -0.35 3.68 2.01 0.18 0.67 115.64 127.50 2avg s THR 105 Ca 0.04 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 2avg s THR 105 Cb -0.24 -4.83 0.01 0.00 0.01 0.00 0.00 72.50 67.45 2avg s THR 105 CO 0.03 -1.66 1.22 0.54 -0.69 0.00 0.00 174.62 174.07 2avg s VAL 106 N 4.40 4.22 -0.80 3.82 0.11 -1.24 -1.28 120.40 129.64 2avg s VAL 106 Ca 0.32 1.36 -0.26 0.00 -2.93 0.00 0.00 61.98 60.46 2avg s VAL 106 Cb -0.09 -4.31 0.03 0.00 -1.53 0.00 0.00 36.38 30.47 2avg s VAL 106 CO 0.04 -0.61 1.41 -1.00 -3.33 0.00 0.00 175.10 171.61 2avg s HIS 107 N 4.31 2.26 0.14 1.54 3.76 0.37 -4.78 115.29 122.89 2avg s HIS 107 Ca 0.52 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 55.29 2avg s HIS 107 Cb -0.13 -4.57 -0.05 0.00 1.11 0.00 0.00 32.58 28.94 2avg s HIS 107 CO 0.24 -2.06 1.34 1.49 -0.85 0.00 0.00 174.74 174.90 2avg h GLU 108 N 10.53 0.33 -0.12 1.40 4.81 -1.87 -0.92 114.58 128.74 2avg h GLU 108 Ca -0.15 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2avg h GLU 108 Cb 1.05 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2avg h GLU 108 CO 1.31 1.04 0.00 0.00 -0.73 0.00 0.00 179.01 180.62 2avg n ALA 109 N -2.51 2.50 -0.59 2.92 0.00 -1.26 -4.90 120.51 116.67 2avg n ALA 109 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2avg n ALA 109 Cb 0.82 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2avg n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17