#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 5.70 -1.02 -1.12 1.01 -1.26 -4.92 116.67 115.06 2avg s ASP 2 Ca 0.00 0.14 -0.25 0.00 0.71 0.00 0.00 52.55 53.15 2avg s ASP 2 Cb 0.00 -1.31 -0.12 0.00 1.01 0.00 0.00 42.92 42.50 2avg s ASP 2 CO 0.00 -0.79 2.07 -2.84 0.21 0.00 0.00 175.17 173.83 2avg s PRO 3 N -4.56 2.00 -0.06 8.23 0.02 -1.26 -4.50 135.00 134.87 2avg s PRO 3 Ca 0.50 -0.47 -0.10 0.00 0.02 0.00 0.00 61.00 60.96 2avg s PRO 3 Cb -0.10 -5.05 -0.03 0.00 0.02 0.00 0.00 34.50 29.34 2avg s PRO 3 CO 0.37 -4.32 -0.19 -0.89 -0.33 0.00 0.00 177.00 171.64 2avg n ILE 4 N 8.32 1.37 -1.19 2.83 -0.00 -1.26 -5.02 119.36 124.42 2avg n ILE 4 Ca 0.43 0.25 0.00 0.00 -0.00 0.00 0.00 62.75 63.43 2avg n ILE 4 Cb 0.46 -2.00 0.00 0.00 -0.00 0.00 0.00 39.64 38.10 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 2.37 0.91 0.36 7.39 0.00 -1.26 -4.95 105.19 110.01 2avg n GLY 5 Ca -0.08 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 0.65 -7.79 0.99 5.85 -1.93 -3.09 115.31 109.99 2avg h LEU 6 Ca 0.00 0.11 -0.74 0.00 0.84 0.00 0.00 57.88 58.09 2avg h LEU 6 Cb 0.49 -0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.31 2avg h LEU 6 CO 0.00 0.16 0.89 0.12 -0.34 0.00 0.00 178.44 179.27 2avg s PHE 7 N -5.72 3.54 -0.05 1.25 5.36 -1.26 -1.35 117.98 119.74 2avg s PHE 7 Ca -0.10 -1.98 -0.25 0.00 -0.96 0.00 0.00 56.93 53.64 2avg s PHE 7 Cb 0.26 -4.16 -0.22 0.00 -0.34 0.00 0.00 43.02 38.55 2avg s PHE 7 CO 0.80 -1.30 1.07 0.28 -1.46 0.00 0.00 175.22 174.60 2avg h VAL 8 N 4.88 1.53 -2.66 3.12 2.07 -1.41 -3.46 116.25 120.32 2avg h VAL 8 Ca 0.22 -1.81 -0.12 0.00 0.82 0.00 0.00 66.70 65.80 2avg h VAL 8 Cb 0.94 2.66 -0.27 0.00 -1.52 0.00 0.00 31.29 33.11 2avg h VAL 8 CO 1.10 0.49 -0.32 -0.32 0.02 0.00 0.00 177.57 178.55 2avg s MET 9 N -3.30 0.37 0.17 1.57 -2.45 -0.97 -5.00 119.30 109.68 2avg s MET 9 Ca -0.16 0.79 -0.17 0.00 -1.25 0.00 0.00 55.69 54.90 2avg s MET 9 Cb 0.01 -0.00 -0.07 0.00 1.25 0.00 0.00 34.83 36.01 2avg s MET 9 CO 0.73 -0.17 0.63 -0.98 1.05 0.00 0.00 175.02 176.28 2avg s ARG 10 N 1.51 4.12 0.48 4.11 1.70 -1.26 -0.71 118.95 128.89 2avg s ARG 10 Ca -0.09 0.68 -0.23 0.00 -0.47 0.00 0.00 55.73 55.62 2avg s ARG 10 Cb -0.09 -2.94 -0.07 0.00 -0.57 0.00 0.00 34.95 31.29 2avg s ARG 10 CO -0.12 0.46 1.26 -1.25 -1.08 0.00 0.00 175.30 174.56 2avg s PRO 11 N -1.89 3.57 0.26 3.89 0.04 -1.24 -4.81 135.00 134.81 2avg s PRO 11 Ca 0.39 2.00 0.10 0.00 0.04 0.00 0.00 61.00 63.54 2avg s PRO 11 Cb -0.16 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 2avg s PRO 11 CO 0.20 -0.78 -0.09 -1.14 0.04 0.00 0.00 177.00 175.24 2avg s GLN 12 N -2.70 2.04 0.00 4.56 2.00 -1.26 -4.63 119.66 119.66 2avg s GLN 12 Ca 0.65 -1.51 0.00 0.00 -2.00 0.00 0.00 55.36 52.50 2avg s GLN 12 Cb -0.34 -2.03 0.00 0.00 0.80 0.00 0.00 33.01 31.44 2avg s GLN 12 CO 0.42 0.36 0.00 -0.25 -0.50 0.00 0.00 175.29 175.32 2avg n ASP 13 N -0.64 0.00 0.00 6.67 9.92 -1.26 -4.79 116.55 126.45 2avg n ASP 13 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2avg n ASP 13 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2avg n GLY 14 N 0.00 4.31 3.18 0.44 0.00 -0.73 -4.87 105.19 107.52 2avg n GLY 14 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.86 2.74 0.19 1.61 2.02 -1.26 0.26 118.70 121.39 2avg s GLU 15 Ca 0.00 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.97 2avg s GLU 15 Cb 0.00 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 2avg s GLU 15 CO 0.00 -0.43 0.01 0.14 0.02 0.00 0.00 175.26 175.00 2avg s VAL 16 N 1.29 0.73 0.27 2.63 -7.23 -0.12 -4.93 120.40 113.04 2avg s VAL 16 Ca -0.01 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2avg s VAL 16 Cb -0.17 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2avg s VAL 16 CO -0.05 -0.41 0.48 -0.89 -0.31 0.00 0.00 175.10 173.91 2avg s THR 17 N -3.63 5.14 -0.33 5.32 2.01 -1.26 0.15 115.64 123.03 2avg s THR 17 Ca 0.26 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 2avg s THR 17 Cb 0.06 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2avg s THR 17 CO 0.05 -0.34 2.14 -0.69 -0.69 0.00 0.00 174.62 175.10 2avg s VAL 18 N -2.07 3.14 0.00 3.82 1.01 -0.57 -1.86 120.40 123.87 2avg s VAL 18 Ca 0.40 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2avg s VAL 18 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2avg s VAL 18 CO 0.32 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2avg n GLY 19 N 5.74 1.24 0.00 4.51 0.00 -1.23 -4.93 105.19 110.52 2avg n GLY 19 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.49 0.44 3.40 -0.02 0.00 -0.78 -4.68 105.19 102.06 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 -0.06 -0.03 1.61 1.04 -1.26 0.65 113.70 114.65 2avg s SER 21 Ca 0.00 -0.74 -0.12 0.00 0.48 0.00 0.00 55.95 55.57 2avg s SER 21 Cb 0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 2avg s SER 21 CO 0.00 -0.95 0.27 -0.51 0.98 0.00 0.00 173.24 173.03 2avg s ILE 22 N -3.93 0.05 -0.03 -1.02 1.10 0.36 -4.78 121.20 112.94 2avg s ILE 22 Ca 0.14 -0.41 -0.01 0.00 -0.51 0.00 0.00 60.65 59.87 2avg s ILE 22 Cb 0.02 -0.52 0.03 0.00 0.15 0.00 0.00 42.46 42.14 2avg s ILE 22 CO -0.01 -0.22 0.04 -0.89 -2.11 0.00 0.00 174.94 171.74 2avg s THR 23 N -0.97 -0.03 0.07 4.00 2.01 -1.26 -1.17 115.64 118.29 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 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 2avg s THR 23 CO 0.03 0.14 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.51 2avg s PHE 24 N 1.50 1.94 -0.07 4.92 0.08 -1.04 -4.96 117.98 120.35 2avg s PHE 24 Ca -0.04 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.65 2avg s PHE 24 Cb -0.13 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2avg s PHE 24 CO -0.03 0.15 -0.15 -1.12 -0.10 0.00 0.00 175.22 173.97 2avg s SER 25 N -1.47 2.11 -0.08 1.36 0.01 -1.26 0.10 113.70 114.47 2avg s SER 25 Ca 0.09 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2avg s SER 25 Cb -0.09 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.18 2avg s SER 25 CO 0.03 0.06 -0.08 0.00 0.41 0.00 0.00 173.24 173.66 2avg s ALA 26 N 0.59 1.13 -0.18 1.44 0.00 0.17 -3.65 121.76 121.26 2avg s ALA 26 Ca -0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2avg s ALA 26 Cb -0.16 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 2avg s ALA 26 CO 0.05 -0.17 -0.12 1.03 0.00 0.00 0.00 175.76 176.55 2avg s ARG 27 N 1.23 3.24 -0.10 0.00 0.52 0.11 0.08 118.95 124.03 2avg s ARG 27 Ca -0.05 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 2avg s ARG 27 Cb -0.14 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.59 2avg s ARG 27 CO -0.02 -0.07 -0.21 0.08 0.02 0.00 0.00 175.30 175.09 2avg s VAL 28 N 1.07 1.88 -0.33 3.52 1.01 -0.47 -2.30 120.40 124.78 2avg s VAL 28 Ca -0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2avg s VAL 28 Cb -0.15 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 2avg s VAL 28 CO -0.03 0.52 2.28 0.00 0.00 0.00 0.00 175.10 177.87 2avg n ALA 29 N 3.70 1.38 -0.33 5.51 0.00 -0.46 -0.05 120.51 130.26 2avg n ALA 29 Ca -0.20 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 52.93 2avg n ALA 29 Cb 0.52 -2.90 0.25 0.00 0.00 0.00 0.00 19.45 17.33 2avg n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2avg h GLY 30 N 15.58 1.46 0.00 0.00 0.00 -0.41 -3.44 103.07 116.25 2avg h GLY 30 Ca -0.33 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2avg h GLY 30 CO 1.03 0.22 0.00 0.00 0.00 0.00 0.00 176.54 177.79 2avg n ALA 31 N -2.38 0.00 -3.34 3.60 0.00 -1.24 -4.62 120.51 112.53 2avg n ALA 31 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 2avg n ALA 31 Cb 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 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 -4.00 4.36 0.32 0.00 1.04 -1.26 -5.09 113.70 109.06 2avg s SER 32 Ca 0.00 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 55.96 2avg s SER 32 Cb 0.00 -1.73 0.02 0.00 0.10 0.00 0.00 66.02 64.41 2avg s SER 32 CO 0.00 0.04 0.62 -1.48 0.98 0.00 0.00 173.24 173.40 2avg s LEU 33 N 1.14 0.26 0.10 2.42 2.34 -1.26 -5.02 118.68 118.67 2avg s LEU 33 Ca 0.02 -1.06 -0.20 0.00 0.06 0.00 0.00 54.13 52.94 2avg s LEU 33 Cb -0.15 2.22 -0.09 0.00 -0.56 0.00 0.00 46.19 47.62 2avg s LEU 33 CO -0.01 -1.39 1.68 0.25 -1.06 0.00 0.00 176.35 175.82 2avg h LEU 34 N 2.09 0.23 -7.49 1.48 5.85 -1.97 -3.44 115.31 112.06 2avg h LEU 34 Ca -0.27 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 2avg h LEU 34 Cb 1.25 -0.06 -0.17 0.00 0.37 0.00 0.00 40.66 42.05 2avg h LEU 34 CO 0.35 0.27 -0.19 -1.59 -0.34 0.00 0.00 178.44 176.94 2avg s LYS 35 N -5.77 0.85 0.13 1.25 0.00 -1.26 -5.11 119.74 109.82 2avg s LYS 35 Ca -0.13 -0.44 -0.34 0.00 0.00 0.00 0.00 55.97 55.06 2avg s LYS 35 Cb 0.07 0.37 -0.17 0.00 0.00 0.00 0.00 37.83 38.10 2avg s LYS 35 CO 0.70 -0.28 0.99 -0.35 0.00 0.00 0.00 175.35 176.42 2avg n PRO 36 N 0.58 0.57 -1.42 1.78 -0.04 -1.26 -4.67 135.00 130.55 2avg n PRO 36 Ca -0.19 0.20 -0.45 0.00 -0.04 0.00 0.00 63.50 63.03 2avg n PRO 36 Cb 0.59 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2avg n PRO 36 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2avg n PRO 37 N 1.52 0.33 -3.28 0.54 -0.02 -1.26 -4.92 135.00 127.90 2avg n PRO 37 Ca 0.17 0.12 -0.46 0.00 -2.02 0.00 0.00 63.50 61.31 2avg n PRO 37 Cb 0.20 -1.24 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.27 5.17 -0.33 -1.45 1.01 -1.06 -4.97 120.40 117.49 2avg s VAL 38 Ca 0.62 -1.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2avg s VAL 38 Cb -0.75 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 31.25 2avg s VAL 38 CO 0.59 -0.92 0.18 -0.69 0.00 0.00 0.00 175.10 174.25 2avg s VAL 39 N 1.70 4.74 -0.19 2.92 1.01 -1.26 -0.22 120.40 129.10 2avg s VAL 39 Ca 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2avg s VAL 39 Cb -0.28 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2avg s VAL 39 CO 0.03 -0.01 0.05 -1.59 0.00 0.00 0.00 175.10 173.58 2avg s LYS 40 N 1.63 3.89 0.36 2.72 0.00 0.00 -4.95 119.74 123.39 2avg s LYS 40 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 55.97 55.60 2avg s LYS 40 Cb -0.18 -3.19 -0.04 0.00 0.00 0.00 0.00 37.83 34.42 2avg s LYS 40 CO 0.07 0.21 0.62 -1.58 0.00 0.00 0.00 175.35 174.67 2avg s TRP 41 N 0.54 3.51 -0.03 1.78 0.52 -1.26 -1.18 118.94 122.81 2avg s TRP 41 Ca 0.02 0.60 -0.01 0.00 0.02 0.00 0.00 56.10 56.73 2avg s TRP 41 Cb -0.13 -2.09 0.03 0.00 -1.15 0.00 0.00 33.47 30.13 2avg s TRP 41 CO 0.01 0.03 0.03 0.12 0.02 0.00 0.00 176.95 177.17 2avg s PHE 42 N -2.34 0.17 -0.51 -1.98 2.19 -0.53 -3.86 117.98 111.11 2avg s PHE 42 Ca 0.44 0.12 -0.13 0.00 0.33 0.00 0.00 56.93 57.69 2avg s PHE 42 Cb -0.10 -0.42 0.12 0.00 -1.31 0.00 0.00 43.02 41.31 2avg s PHE 42 CO 0.36 -0.16 0.43 0.21 1.83 0.00 0.00 175.22 177.89 2avg s LYS 43 N 1.53 2.77 -0.71 10.12 2.20 0.17 -1.04 119.74 134.78 2avg s LYS 43 Ca -0.03 -1.71 -0.21 0.00 -0.36 0.00 0.00 55.97 53.66 2avg s LYS 43 Cb -0.13 -4.12 0.10 0.00 -1.51 0.00 0.00 37.83 32.16 2avg s LYS 43 CO -0.03 -1.25 0.93 0.20 -0.36 0.00 0.00 175.35 174.84 2avg s GLY 44 N 3.14 1.63 -0.27 5.54 0.00 -0.84 -2.30 107.32 114.23 2avg s GLY 44 Ca 0.04 -2.19 -0.10 0.00 0.00 0.00 0.00 44.72 42.47 2avg s GLY 44 CO 0.02 1.91 -0.28 0.58 0.00 0.00 0.00 173.10 175.33 2avg n LYS 45 N 7.01 0.61 0.00 2.90 2.85 -1.15 0.04 118.16 130.42 2avg n LYS 45 Ca 0.02 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 2avg n LYS 45 Cb 0.45 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2avg n TRP 46 N -4.01 0.00 -2.95 5.58 4.27 -1.25 -5.02 117.44 114.06 2avg n TRP 46 Ca -0.51 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 52.92 2avg n TRP 46 Cb 0.90 0.05 0.01 0.00 -1.36 0.00 0.00 31.31 30.92 2avg n TRP 46 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2avg s VAL 47 N 0.00 2.96 0.15 -1.67 0.11 -0.97 -4.94 120.40 116.03 2avg s VAL 47 Ca 0.00 -0.94 0.05 0.00 -2.93 0.00 0.00 61.98 58.16 2avg s VAL 47 Cb 0.00 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 2avg s VAL 47 CO 0.00 -0.00 0.13 -0.62 -3.33 0.00 0.00 175.10 171.28 2avg s ASP 48 N -4.36 5.55 -0.03 3.54 2.15 -1.26 0.42 116.67 122.68 2avg s ASP 48 Ca 0.55 -0.10 0.11 0.00 0.43 0.00 0.00 52.55 53.55 2avg s ASP 48 Cb -0.10 -1.47 -0.23 0.00 -0.30 0.00 0.00 42.92 40.82 2avg s ASP 48 CO 0.34 0.08 0.71 -0.07 -0.17 0.00 0.00 175.17 176.06 2avg h LEU 49 N 2.54 0.02 -2.52 -1.34 4.07 -1.89 -3.39 115.31 112.80 2avg h LEU 49 Ca -0.48 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 57.45 2avg h LEU 49 Cb 1.19 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 2avg h LEU 49 CO 0.64 1.04 0.15 0.28 -1.08 0.00 0.00 178.44 179.46 2avg h SER 50 N 0.00 0.00 0.32 -0.43 0.02 -1.95 1.03 113.55 112.53 2avg h SER 50 Ca -0.27 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 2avg h SER 50 Cb 1.99 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.52 2avg h SER 50 CO 0.08 0.00 -1.77 -0.24 -1.14 0.00 0.00 176.83 173.77 2avg n SER 51 N -3.14 0.31 -0.00 3.07 2.88 -1.26 -4.38 113.62 111.09 2avg n SER 51 Ca -0.02 0.13 0.07 0.00 -1.33 0.00 0.00 58.87 57.72 2avg n SER 51 Cb 0.22 1.22 -0.10 0.00 -0.75 0.00 0.00 64.21 64.80 2avg n SER 51 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2avg n LYS 52 N -2.53 1.33 -1.56 -1.46 4.76 0.29 -4.86 118.16 114.15 2avg n LYS 52 Ca -0.09 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.15 2avg n LYS 52 Cb 0.70 -1.26 -0.08 0.00 -1.84 0.00 0.00 35.03 32.55 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 -1.69 0.00 -0.33 -0.18 0.31 0.21 -4.26 118.33 112.40 2avg n VAL 53 Ca -0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2avg n VAL 53 Cb 0.31 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 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 6.72 4.81 0.27 2.92 0.00 0.46 -4.82 105.19 115.54 2avg n GLY 54 Ca 0.47 -0.63 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 1.61 4.20 -1.96 -2.69 115.11 116.27 2avg h GLN 55 Ca 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 2avg h GLN 55 Cb 0.00 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 2avg h GLN 55 CO 0.00 0.10 -2.37 -2.39 -0.67 0.00 0.00 178.83 173.49 2avg n HIS 56 N -3.35 0.00 -4.01 2.96 1.44 -1.26 -4.76 115.22 106.23 2avg n HIS 56 Ca -0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.39 2avg n HIS 56 Cb 0.28 -0.94 -0.15 0.00 0.12 0.00 0.00 29.99 29.30 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 -6.22 4.34 -0.35 2.39 1.98 -1.18 0.38 118.68 120.02 2avg s LEU 57 Ca -0.28 -1.96 -0.17 0.00 -2.89 0.00 0.00 54.13 48.82 2avg s LEU 57 Cb 0.08 -1.57 -0.01 0.00 0.66 0.00 0.00 46.19 45.36 2avg s LEU 57 CO 0.61 -0.34 0.48 -1.10 -1.89 0.00 0.00 176.35 174.11 2avg s GLN 58 N 0.99 3.61 -0.81 1.98 1.11 0.10 0.17 119.66 126.81 2avg s GLN 58 Ca 0.07 -0.21 -0.15 0.00 0.01 0.00 0.00 55.36 55.07 2avg s GLN 58 Cb -0.19 -3.81 0.19 0.00 -1.01 0.00 0.00 33.01 28.19 2avg s GLN 58 CO -0.08 -0.62 0.80 -1.17 0.01 0.00 0.00 175.29 174.23 2avg s LEU 59 N 2.31 6.35 0.47 2.90 0.20 -1.26 0.65 118.68 130.31 2avg s LEU 59 Ca 0.17 -2.43 -0.03 0.00 0.69 0.00 0.00 54.13 52.53 2avg s LEU 59 Cb -0.16 -2.25 -0.02 0.00 -0.43 0.00 0.00 46.19 43.34 2avg s LEU 59 CO 0.13 -0.71 0.73 -1.00 -0.29 0.00 0.00 176.35 175.21 2avg s HIS 60 N 0.85 3.38 -0.19 5.38 3.76 0.12 -4.87 115.29 123.72 2avg s HIS 60 Ca 0.19 0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 55.58 2avg s HIS 60 Cb -0.12 -2.33 0.06 0.00 1.11 0.00 0.00 32.58 31.30 2avg s HIS 60 CO -0.07 -0.35 0.02 0.16 -0.85 0.00 0.00 174.74 173.65 2avg s ASP 61 N -4.17 2.96 -0.39 1.40 -4.77 -1.26 -0.22 116.67 110.22 2avg s ASP 61 Ca 0.48 -0.83 -0.19 0.00 -3.30 0.00 0.00 52.55 48.71 2avg s ASP 61 Cb -0.10 -0.66 0.01 0.00 -1.09 0.00 0.00 42.92 41.08 2avg s ASP 61 CO 0.41 -0.29 0.53 -0.44 0.70 0.00 0.00 175.17 176.08 2avg s SER 62 N 1.81 6.29 -0.57 2.11 0.01 0.20 -4.91 113.70 118.63 2avg s SER 62 Ca -0.01 -0.28 -0.13 0.00 1.31 0.00 0.00 55.95 56.84 2avg s SER 62 Cb -0.17 -2.27 0.14 0.00 0.21 0.00 0.00 66.02 63.93 2avg s SER 62 CO -0.08 -0.59 0.50 -0.47 0.41 0.00 0.00 173.24 173.02 2avg s TYR 63 N 2.45 3.38 -0.33 2.43 5.04 -1.26 -0.19 117.35 128.86 2avg s TYR 63 Ca 0.18 -1.61 -0.02 0.00 -2.44 0.00 0.00 57.07 53.18 2avg s TYR 63 Cb -0.15 -3.70 0.07 0.00 0.35 0.00 0.00 41.96 38.52 2avg s TYR 63 CO 0.15 -1.00 0.07 -0.51 -1.34 0.00 0.00 175.55 172.91 2avg s ASP 64 N 3.03 5.03 0.07 4.32 1.11 -0.89 -4.94 116.67 124.40 2avg s ASP 64 Ca 0.07 -1.48 0.02 0.00 0.18 0.00 0.00 52.55 51.33 2avg s ASP 64 Cb -0.26 -1.76 -0.25 0.00 1.07 0.00 0.00 42.92 41.73 2avg s ASP 64 CO -0.00 -0.34 1.12 -0.09 1.18 0.00 0.00 175.17 177.03 2avg h ARG 65 N 8.02 0.14 0.00 8.23 1.12 -1.94 0.65 114.38 130.61 2avg h ARG 65 Ca -0.19 -0.24 -0.00 0.00 -1.11 0.00 0.00 59.98 58.44 2avg h ARG 65 Cb 1.06 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 31.11 2avg h ARG 65 CO 0.58 1.06 -0.02 0.00 -3.11 0.00 0.00 179.97 178.49 2avg h ALA 66 N 0.77 1.03 0.00 2.80 0.00 -1.95 -1.14 119.26 120.76 2avg h ALA 66 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2avg h ALA 66 Cb 1.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2avg h ALA 66 CO 0.16 0.02 -1.43 0.43 0.00 0.00 0.00 179.25 178.43 2avg n SER 67 N -3.15 1.95 -2.66 0.00 7.64 -1.21 -5.00 113.62 111.18 2avg n SER 67 Ca -0.01 -0.11 -0.19 0.00 1.01 0.00 0.00 58.87 59.57 2avg n SER 67 Cb 0.21 1.49 0.03 0.00 -1.01 0.00 0.00 64.21 64.93 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2avg n LYS 68 N -1.84 -4.47 -4.53 1.43 3.00 0.21 -4.95 118.16 107.01 2avg n LYS 68 Ca -0.02 0.78 -0.24 0.00 -0.00 0.00 0.00 58.31 58.83 2avg n LYS 68 Cb 0.30 -5.37 -0.16 0.00 0.00 0.00 0.00 35.03 29.80 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 -3.11 1.04 -0.44 3.15 1.01 0.06 0.36 120.40 122.48 2avg s VAL 69 Ca 0.28 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 2avg s VAL 69 Cb -0.12 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.36 2avg s VAL 69 CO 0.35 0.33 0.34 -0.31 0.00 0.00 0.00 175.10 175.81 2avg s TYR 70 N 0.63 3.26 -0.51 5.22 2.02 0.93 -2.10 117.35 126.80 2avg s TYR 70 Ca -0.13 -0.93 -0.18 0.00 -0.37 0.00 0.00 57.07 55.46 2avg s TYR 70 Cb -0.15 -2.94 0.07 0.00 -0.40 0.00 0.00 41.96 38.54 2avg s TYR 70 CO 0.03 -0.74 0.57 -1.17 -1.57 0.00 0.00 175.55 172.67 2avg s LEU 71 N 1.61 5.26 -0.39 -1.29 2.96 0.73 -1.37 118.68 126.20 2avg s LEU 71 Ca 0.04 -1.13 -0.26 0.00 -0.22 0.00 0.00 54.13 52.55 2avg s LEU 71 Cb -0.22 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.14 2avg s LEU 71 CO 0.07 -0.85 0.96 -0.36 -1.32 0.00 0.00 176.35 174.84 2avg s PHE 72 N 2.32 3.04 -0.26 5.38 0.40 0.11 0.59 117.98 129.57 2avg s PHE 72 Ca 0.11 0.74 -0.07 0.00 -0.60 0.00 0.00 56.93 57.11 2avg s PHE 72 Cb -0.22 -3.77 -0.02 0.00 0.51 0.00 0.00 43.02 39.52 2avg s PHE 72 CO 0.09 -0.90 0.07 -1.21 0.70 0.00 0.00 175.22 173.97 2avg s GLU 73 N 3.62 3.53 -0.20 0.44 2.02 0.69 -0.66 118.70 128.14 2avg s GLU 73 Ca 0.39 -0.56 -0.22 0.00 0.02 0.00 0.00 54.97 54.61 2avg s GLU 73 Cb -0.11 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 2avg s GLU 73 CO 0.21 -0.24 0.67 -0.51 0.02 0.00 0.00 175.26 175.41 2avg s LEU 74 N 1.59 4.13 -0.44 1.80 2.01 0.11 0.15 118.68 128.03 2avg s LEU 74 Ca 0.06 0.87 0.02 0.00 0.01 0.00 0.00 54.13 55.09 2avg s LEU 74 Cb -0.15 -2.95 0.12 0.00 0.01 0.00 0.00 46.19 43.22 2avg s LEU 74 CO 0.03 -0.32 0.18 -1.00 1.01 0.00 0.00 176.35 176.25 2avg s HIS 75 N 2.09 3.51 -0.32 0.29 3.76 0.21 -2.49 115.29 122.33 2avg s HIS 75 Ca 0.30 -2.96 0.03 0.00 -0.15 0.00 0.00 55.06 52.28 2avg s HIS 75 Cb -0.16 -2.96 0.09 0.00 1.11 0.00 0.00 32.58 30.67 2avg s HIS 75 CO 0.10 -0.87 0.04 0.42 -0.85 0.00 0.00 174.74 173.58 2avg s ILE 76 N 0.43 2.02 -0.11 0.60 1.01 -0.32 0.00 121.20 124.84 2avg s ILE 76 Ca 0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 60.65 58.70 2avg s ILE 76 Cb -0.22 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 2avg s ILE 76 CO -0.04 -0.53 -0.07 0.42 0.00 0.00 0.00 174.94 174.72 2avg s THR 77 N 1.05 3.67 -0.08 2.92 -4.23 0.16 0.13 115.64 119.27 2avg s THR 77 Ca 0.08 -0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.09 2avg s THR 77 Cb -0.19 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.12 2avg s THR 77 CO -0.10 0.55 0.07 -0.67 -0.54 0.00 0.00 174.62 173.92 2avg n ASP 78 N 2.90 -2.10 -4.56 3.99 -0.08 0.21 -4.57 116.55 112.33 2avg n ASP 78 Ca -0.18 0.48 -0.37 0.00 -1.51 0.00 0.00 54.79 53.21 2avg n ASP 78 Cb 0.53 -2.49 -0.11 0.00 2.34 0.00 0.00 41.12 41.39 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2avg s ALA 79 N -0.32 3.40 0.32 -1.67 0.00 -1.26 -4.90 121.76 117.33 2avg s ALA 79 Ca -0.08 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2avg s ALA 79 Cb 0.01 -2.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.81 2avg s ALA 79 CO 0.28 -0.33 1.41 -1.14 0.00 0.00 0.00 175.76 175.98 2avg s GLN 80 N 1.32 4.25 0.00 0.00 0.74 -1.26 -3.58 119.66 121.14 2avg s GLN 80 Ca 0.06 2.36 0.02 0.00 0.05 0.00 0.00 55.36 57.86 2avg s GLN 80 Cb -0.15 -3.05 0.09 0.00 1.10 0.00 0.00 33.01 31.01 2avg s GLN 80 CO 0.05 -0.38 1.03 -0.35 -0.55 0.00 0.00 175.29 175.09 2avg n PRO 81 N 1.23 0.01 -0.54 1.67 -0.04 -1.26 -0.98 135.00 135.08 2avg n PRO 81 Ca 0.03 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 2avg n PRO 81 Cb 0.40 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.45 3.11 -0.07 0.55 0.00 -1.26 -4.40 120.51 116.98 2avg n ALA 82 Ca 0.01 -1.94 -0.10 0.00 0.00 0.00 0.00 53.44 51.41 2avg n ALA 82 Cb 0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 2.75 0.00 -6.68 0.00 0.04 -1.40 -3.43 116.94 108.22 2avg h PHE 83 Ca 0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 2avg h PHE 83 Cb 1.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.62 2avg h PHE 83 CO 0.65 0.59 -0.45 2.41 -0.60 0.00 0.00 178.31 180.91 2avg n THR 84 N -4.61 -1.21 -1.89 -1.55 -1.04 -1.24 -2.93 114.28 99.82 2avg n THR 84 Ca -0.12 -0.16 -0.25 0.00 -2.04 0.00 0.00 64.05 61.48 2avg n THR 84 Cb 0.35 -1.05 -0.05 0.00 -1.82 0.00 0.00 70.33 67.76 2avg n THR 84 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2avg s GLY 85 N -3.62 -0.14 -1.16 3.41 0.00 0.12 -4.41 107.32 101.52 2avg s GLY 85 Ca 0.13 -1.14 -0.18 0.00 0.00 0.00 0.00 44.72 43.53 2avg s GLY 85 CO 0.40 3.73 1.52 -0.32 0.00 0.00 0.00 173.10 178.43 2avg s GLY 86 N 9.07 1.78 -0.32 0.20 0.00 0.11 0.15 107.32 118.30 2avg s GLY 86 Ca 0.78 -2.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.35 2avg s GLY 86 CO 0.05 2.46 1.38 -0.19 0.00 0.00 0.00 173.10 176.81 2avg s TYR 87 N 3.56 2.51 -0.46 1.90 1.51 0.11 -1.98 117.35 124.50 2avg s TYR 87 Ca 0.47 0.77 -0.23 0.00 -1.01 0.00 0.00 57.07 57.06 2avg s TYR 87 Cb 0.00 -4.03 0.03 0.00 -0.11 0.00 0.00 41.96 37.85 2avg s TYR 87 CO -0.00 -1.98 0.81 1.03 -1.11 0.00 0.00 175.55 174.30 2avg s ARG 88 N 4.46 3.42 -0.24 -0.62 0.52 -0.20 -3.09 118.95 123.19 2avg s ARG 88 Ca 0.60 -0.08 -0.14 0.00 -0.52 0.00 0.00 55.73 55.58 2avg s ARG 88 Cb -0.17 -3.94 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 2avg s ARG 88 CO 0.27 -1.15 0.35 0.00 0.02 0.00 0.00 175.30 174.78 2avg s GLU 90 N 1.63 0.31 -0.08 0.00 2.12 -0.32 -0.04 118.70 122.32 2avg s GLU 90 Ca 0.15 -0.33 -0.04 0.00 0.36 0.00 0.00 54.97 55.11 2avg s GLU 90 Cb -0.15 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 2avg s GLU 90 CO 0.08 -0.74 0.10 0.54 -0.54 0.00 0.00 175.26 174.70 2avg s VAL 91 N 2.01 5.05 -0.19 3.70 0.11 -1.09 -0.81 120.40 129.18 2avg s VAL 91 Ca 0.03 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2avg s VAL 91 Cb -0.16 -3.22 0.07 0.00 -1.53 0.00 0.00 36.38 31.54 2avg s VAL 91 CO -0.15 0.54 0.10 -0.44 -3.33 0.00 0.00 175.10 171.82 2avg s SER 92 N -1.21 2.55 0.03 3.54 0.01 0.69 -3.25 113.70 116.06 2avg s SER 92 Ca 0.17 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.74 2avg s SER 92 Cb -0.12 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 2avg s SER 92 CO 0.07 -0.36 -0.11 -0.89 0.41 0.00 0.00 173.24 172.35 2avg s THR 93 N 2.13 0.85 0.00 1.44 2.01 -0.94 -2.57 115.64 118.56 2avg s THR 93 Ca 0.03 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2avg s THR 93 Cb -0.16 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2avg s THR 93 CO -0.14 -0.05 0.00 2.29 -0.69 0.00 0.00 174.62 176.04 2avg n LYS 94 N 2.04 0.00 0.00 4.92 -0.00 -1.26 0.80 118.16 124.66 2avg n LYS 94 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2avg n LYS 94 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 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 0.00 0.00 -4.71 -5.58 -0.08 -1.26 -5.03 116.55 99.89 2avg n ASP 95 Ca 0.00 -0.19 -0.40 0.00 -1.51 0.00 0.00 54.79 52.69 2avg n ASP 95 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2avg n ASP 95 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2avg s LYS 96 N 0.00 4.44 0.05 -0.67 -0.14 0.24 -3.46 119.74 120.19 2avg s LYS 96 Ca 0.00 0.92 0.04 0.00 -1.36 0.00 0.00 55.97 55.57 2avg s LYS 96 Cb 0.00 -3.46 -0.02 0.00 -1.68 0.00 0.00 37.83 32.67 2avg s LYS 96 CO 0.00 0.03 -0.12 0.12 -0.76 0.00 0.00 175.35 174.62 2avg s PHE 97 N 0.90 1.02 -0.17 3.18 5.36 -1.26 -2.21 117.98 124.80 2avg s PHE 97 Ca 0.38 -0.42 -0.35 0.00 -0.96 0.00 0.00 56.93 55.58 2avg s PHE 97 Cb -0.18 -0.59 0.15 0.00 -0.34 0.00 0.00 43.02 42.06 2avg s PHE 97 CO 0.18 0.01 1.39 0.34 -1.46 0.00 0.00 175.22 175.68 2avg s ASP 98 N -1.46 -0.02 0.02 6.13 -1.08 -1.20 -4.97 116.67 114.09 2avg s ASP 98 Ca -0.03 -0.02 -0.08 0.00 -0.52 0.00 0.00 52.55 51.90 2avg s ASP 98 Cb -0.09 0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.40 2avg s ASP 98 CO 0.01 -0.06 0.15 0.00 0.52 0.00 0.00 175.17 175.80 2avg s SER 100 N -1.65 1.19 -0.18 0.00 1.04 0.95 -5.00 113.70 110.05 2avg s SER 100 Ca -0.11 -0.18 -0.16 0.00 0.48 0.00 0.00 55.95 55.98 2avg s SER 100 Cb -0.05 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 2avg s SER 100 CO -0.00 -0.02 0.38 0.54 0.98 0.00 0.00 173.24 175.12 2avg s ASN 101 N 0.77 6.47 -0.08 7.02 4.22 -1.26 -1.66 114.94 130.42 2avg s ASN 101 Ca -0.12 0.55 -0.13 0.00 -2.14 0.00 0.00 52.86 51.02 2avg s ASN 101 Cb -0.15 -2.22 0.03 0.00 1.28 0.00 0.00 41.25 40.19 2avg s ASN 101 CO 0.01 -0.01 0.32 0.72 -2.04 0.00 0.00 177.10 176.10 2avg s PHE 102 N 0.97 -0.30 -0.04 1.54 -0.71 -1.18 -4.85 117.98 113.42 2avg s PHE 102 Ca 0.19 0.66 0.05 0.00 -1.04 0.00 0.00 56.93 56.79 2avg s PHE 102 Cb -0.14 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 2avg s PHE 102 CO 0.07 -0.26 -0.18 -0.80 -1.34 0.00 0.00 175.22 172.72 2avg s ASN 103 N -0.39 3.76 -0.41 1.98 0.01 -1.25 0.05 114.94 118.69 2avg s ASN 103 Ca -0.05 -0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 51.70 2avg s ASN 103 Cb -0.03 -0.70 0.05 0.00 0.41 0.00 0.00 41.25 40.97 2avg s ASN 103 CO 0.02 0.34 0.26 -0.22 -1.51 0.00 0.00 177.10 175.98 2avg s LEU 104 N -0.73 5.02 -0.76 0.60 2.96 0.39 -1.77 118.68 124.39 2avg s LEU 104 Ca 0.11 -1.17 -0.22 0.00 -0.22 0.00 0.00 54.13 52.64 2avg s LEU 104 Cb -0.10 -2.05 0.09 0.00 0.50 0.00 0.00 46.19 44.62 2avg s LEU 104 CO 0.00 -0.47 1.05 -0.89 -1.32 0.00 0.00 176.35 174.72 2avg s THR 105 N 1.55 4.40 -0.40 3.68 2.01 0.14 0.14 115.64 127.16 2avg s THR 105 Ca 0.03 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 2avg s THR 105 Cb -0.21 -4.74 0.02 0.00 0.01 0.00 0.00 72.50 67.58 2avg s THR 105 CO 0.06 -1.51 1.14 0.54 -0.69 0.00 0.00 174.62 174.16 2avg s VAL 106 N 3.75 4.29 -0.68 3.82 0.11 -1.25 -0.95 120.40 129.51 2avg s VAL 106 Ca 0.27 1.40 -0.24 0.00 -2.93 0.00 0.00 61.98 60.48 2avg s VAL 106 Cb -0.12 -4.48 0.06 0.00 -1.53 0.00 0.00 36.38 30.31 2avg s VAL 106 CO 0.03 -0.76 1.05 -1.00 -3.33 0.00 0.00 175.10 171.09 2avg s HIS 107 N 4.21 2.57 -0.64 1.54 3.76 0.39 -4.81 115.29 122.30 2avg s HIS 107 Ca 0.48 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.76 2avg s HIS 107 Cb -0.10 -4.38 -0.03 0.00 1.11 0.00 0.00 32.58 29.18 2avg s HIS 107 CO 0.25 -1.76 1.95 -2.00 -0.85 0.00 0.00 174.74 172.33 2avg s GLU 108 N 4.54 2.53 -0.22 1.40 2.12 -1.26 -1.51 118.70 126.29 2avg s GLU 108 Ca 0.26 0.59 -0.04 0.00 0.36 0.00 0.00 54.97 56.14 2avg s GLU 108 Cb -0.14 -4.51 -0.01 0.00 0.26 0.00 0.00 34.13 29.73 2avg s GLU 108 CO 0.12 -2.92 -0.03 0.00 -0.54 0.00 0.00 175.26 171.89 2avg s ALA 109 N 9.71 2.85 -2.05 6.30 0.00 -1.26 -5.02 121.76 132.29 2avg s ALA 109 Ca 0.72 -1.16 0.32 0.00 0.00 0.00 0.00 51.96 51.83 2avg s ALA 109 Cb -0.12 -1.75 1.83 0.00 0.00 0.00 0.00 23.12 23.08 2avg s ALA 109 CO 0.18 -0.43 2.18 -1.33 0.00 0.00 0.00 175.76 176.36