#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 5.33 -1.02 -1.12 1.11 -1.26 -4.91 116.67 114.80 2avg s ASP 2 Ca 0.00 -0.44 -0.25 0.00 0.18 0.00 0.00 52.55 52.04 2avg s ASP 2 Cb 0.00 -0.41 -0.12 0.00 1.07 0.00 0.00 42.92 43.47 2avg s ASP 2 CO 0.00 -1.08 2.06 -2.84 1.18 0.00 0.00 175.17 174.50 2avg s PRO 3 N -4.58 2.05 -0.02 8.23 0.02 -1.26 -4.52 135.00 134.92 2avg s PRO 3 Ca 0.58 -0.47 -0.05 0.00 0.02 0.00 0.00 61.00 61.09 2avg s PRO 3 Cb -0.09 -5.05 -0.02 0.00 0.02 0.00 0.00 34.50 29.37 2avg s PRO 3 CO 0.37 -4.25 -0.09 -0.89 -0.33 0.00 0.00 177.00 171.80 2avg n ILE 4 N 8.28 0.70 -0.48 2.83 -0.00 -1.26 -4.93 119.36 124.51 2avg n ILE 4 Ca 0.43 0.26 0.00 0.00 -0.00 0.00 0.00 62.75 63.44 2avg n ILE 4 Cb 0.46 -1.62 0.00 0.00 -0.00 0.00 0.00 39.64 38.48 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 2.49 0.66 0.16 7.39 0.00 -1.26 -4.92 105.19 109.71 2avg n GLY 5 Ca -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 0.13 -7.78 0.99 5.85 -1.93 -3.15 115.31 109.42 2avg h LEU 6 Ca 0.00 0.04 -0.75 0.00 0.84 0.00 0.00 57.88 58.01 2avg h LEU 6 Cb 0.22 0.03 -0.22 0.00 0.37 0.00 0.00 40.66 41.06 2avg h LEU 6 CO 0.00 0.11 0.77 -0.36 -0.34 0.00 0.00 178.44 178.62 2avg s PHE 7 N -6.16 3.63 0.23 1.25 0.40 -1.26 -1.58 117.98 114.49 2avg s PHE 7 Ca -0.13 -2.04 -0.00 0.00 -0.60 0.00 0.00 56.93 54.16 2avg s PHE 7 Cb 0.12 -4.10 0.25 0.00 0.51 0.00 0.00 43.02 39.80 2avg s PHE 7 CO 0.71 -1.24 1.61 0.28 0.70 0.00 0.00 175.22 177.28 2avg h VAL 8 N 4.77 1.30 -2.11 -0.44 2.07 -1.23 -3.43 116.25 117.18 2avg h VAL 8 Ca 0.20 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 2avg h VAL 8 Cb 0.95 1.59 -0.22 0.00 -1.52 0.00 0.00 31.29 32.08 2avg h VAL 8 CO 1.06 0.49 -0.02 -0.32 0.02 0.00 0.00 177.57 178.80 2avg s MET 9 N -4.21 0.67 -0.13 1.57 -2.45 -1.09 -4.95 119.30 108.70 2avg s MET 9 Ca -0.07 1.14 -0.02 0.00 -1.25 0.00 0.00 55.69 55.48 2avg s MET 9 Cb 0.12 0.14 -0.03 0.00 1.25 0.00 0.00 34.83 36.31 2avg s MET 9 CO 0.82 -0.15 -0.04 -0.98 1.05 0.00 0.00 175.02 175.72 2avg s ARG 10 N 1.49 3.38 0.80 4.11 1.70 -1.26 -0.23 118.95 128.94 2avg s ARG 10 Ca -0.09 -0.52 -0.12 0.00 -0.47 0.00 0.00 55.73 54.53 2avg s ARG 10 Cb -0.05 -2.82 0.08 0.00 -0.57 0.00 0.00 34.95 31.58 2avg s ARG 10 CO -0.17 0.39 1.15 -1.25 -1.08 0.00 0.00 175.30 174.34 2avg s PRO 11 N -0.04 1.80 0.45 3.89 0.04 -1.08 -4.96 135.00 135.09 2avg s PRO 11 Ca 0.01 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.63 2avg s PRO 11 Cb -0.13 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2avg s PRO 11 CO 0.03 -2.05 0.02 -0.65 0.04 0.00 0.00 177.00 174.39 2avg s GLN 12 N -4.40 2.04 0.00 4.56 -1.52 -1.26 -4.71 119.66 114.37 2avg s GLN 12 Ca 0.68 -2.23 0.00 0.00 -1.95 0.00 0.00 55.36 51.87 2avg s GLN 12 Cb -0.24 -1.47 0.00 0.00 -0.22 0.00 0.00 33.01 31.09 2avg s GLN 12 CO 0.52 -0.22 0.00 -0.40 -0.25 0.00 0.00 175.29 174.93 2avg n ASP 13 N -1.10 0.00 0.00 5.90 5.75 -1.26 -4.72 116.55 121.12 2avg n ASP 13 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2avg n ASP 13 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 2.12 4.28 3.31 6.12 0.00 -0.88 -4.87 105.19 115.27 2avg n GLY 14 Ca 0.00 -0.52 -0.36 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 -2.75 3.09 0.08 1.61 2.02 -1.26 0.00 118.70 121.49 2avg s GLU 15 Ca 0.00 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.17 2avg s GLU 15 Cb 0.00 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 2avg s GLU 15 CO 0.00 -0.39 -0.08 0.14 0.02 0.00 0.00 175.26 174.95 2avg s VAL 16 N 1.46 0.74 0.39 2.63 -7.23 -0.08 -4.94 120.40 113.37 2avg s VAL 16 Ca 0.02 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 2avg s VAL 16 Cb -0.17 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 2avg s VAL 16 CO -0.00 -0.63 0.69 -0.89 -0.31 0.00 0.00 175.10 173.95 2avg s THR 17 N -2.61 4.94 -0.43 5.32 2.01 -1.26 0.11 115.64 123.72 2avg s THR 17 Ca 0.04 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 2avg s THR 17 Cb -0.02 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2avg s THR 17 CO -0.02 -0.59 1.88 -0.69 -0.69 0.00 0.00 174.62 174.52 2avg s VAL 18 N -2.41 3.39 0.00 3.82 1.01 -0.04 -1.90 120.40 124.27 2avg s VAL 18 Ca 0.46 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2avg s VAL 18 Cb -0.10 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2avg s VAL 18 CO 0.36 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.55 2avg n GLY 19 N 5.56 1.48 0.00 4.51 0.00 -1.26 -4.99 105.19 110.49 2avg n GLY 19 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.79 3.57 -0.02 0.00 -0.80 -4.79 105.19 103.94 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 -0.59 -0.04 -0.00 1.61 1.04 -1.26 0.63 113.70 115.10 2avg s SER 21 Ca 0.00 -0.98 -0.13 0.00 0.48 0.00 0.00 55.95 55.32 2avg s SER 21 Cb 0.00 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.72 2avg s SER 21 CO 0.00 -1.14 0.28 -0.51 0.98 0.00 0.00 173.24 172.85 2avg s ILE 22 N -3.96 0.07 -0.02 -1.02 1.10 0.30 -4.79 121.20 112.87 2avg s ILE 22 Ca 0.23 -0.55 0.00 0.00 -0.51 0.00 0.00 60.65 59.83 2avg s ILE 22 Cb -0.00 -0.63 0.03 0.00 0.15 0.00 0.00 42.46 42.01 2avg s ILE 22 CO 0.10 -0.30 0.01 -0.89 -2.11 0.00 0.00 174.94 171.75 2avg s THR 23 N -1.50 0.08 0.01 4.00 2.01 -1.26 -1.73 115.64 117.25 2avg s THR 23 Ca -0.13 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.08 2avg s THR 23 Cb -0.05 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 2avg s THR 23 CO 0.03 0.12 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.52 2avg s PHE 24 N 1.02 1.76 -0.07 4.92 0.08 -1.07 -4.87 117.98 119.75 2avg s PHE 24 Ca -0.10 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2avg s PHE 24 Cb -0.13 -1.09 0.03 0.00 -0.57 0.00 0.00 43.02 41.25 2avg s PHE 24 CO -0.02 0.03 -0.01 -1.54 -0.10 0.00 0.00 175.22 173.58 2avg s SER 25 N -0.82 1.55 -0.22 1.36 1.04 -1.26 0.76 113.70 116.10 2avg s SER 25 Ca 0.07 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2avg s SER 25 Cb -0.08 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.59 2avg s SER 25 CO 0.01 -0.17 -0.14 0.00 0.98 0.00 0.00 173.24 173.92 2avg s ALA 26 N 1.81 2.49 -0.23 5.32 0.00 0.22 -2.65 121.76 128.72 2avg s ALA 26 Ca 0.03 -1.44 -0.08 0.00 0.00 0.00 0.00 51.96 50.48 2avg s ALA 26 Cb -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 2avg s ALA 26 CO -0.05 -0.71 0.08 1.03 0.00 0.00 0.00 175.76 176.11 2avg s ARG 27 N 1.24 3.76 -0.09 0.00 0.52 0.68 -0.06 118.95 125.00 2avg s ARG 27 Ca -0.00 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2avg s ARG 27 Cb -0.16 -3.31 0.01 0.00 0.52 0.00 0.00 34.95 32.01 2avg s ARG 27 CO -0.09 -0.06 -0.15 0.08 0.02 0.00 0.00 175.30 175.10 2avg s VAL 28 N 1.28 1.45 -0.15 3.52 1.01 -0.54 -1.54 120.40 125.43 2avg s VAL 28 Ca 0.05 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2avg s VAL 28 Cb -0.15 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 2avg s VAL 28 CO 0.04 0.43 2.11 0.00 0.00 0.00 0.00 175.10 177.68 2avg n ALA 29 N 4.02 1.53 0.18 5.51 0.00 -0.62 0.04 120.51 131.18 2avg n ALA 29 Ca -0.20 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.34 2avg n ALA 29 Cb 0.52 -2.76 0.70 0.00 0.00 0.00 0.00 19.45 17.91 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 12.80 0.00 0.00 0.00 0.00 -0.31 -3.45 103.07 112.11 2avg h GLY 30 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2avg h GLY 30 CO 0.96 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.50 2avg n ALA 31 N -2.53 0.00 -4.04 3.60 0.00 -1.25 -4.62 120.51 111.67 2avg n ALA 31 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 2avg n ALA 31 Cb 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.57 2avg n ALA 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2avg s SER 32 N -4.00 4.43 0.30 0.00 0.15 -1.26 -5.09 113.70 108.23 2avg s SER 32 Ca 0.00 -1.53 0.01 0.00 0.70 0.00 0.00 55.95 55.13 2avg s SER 32 Cb 0.00 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.78 2avg s SER 32 CO 0.00 -0.24 0.31 -1.48 1.20 0.00 0.00 173.24 173.03 2avg s LEU 33 N 1.10 1.31 0.00 3.45 2.34 -1.26 -5.00 118.68 120.62 2avg s LEU 33 Ca -0.04 -1.54 0.00 0.00 0.06 0.00 0.00 54.13 52.60 2avg s LEU 33 Cb -0.20 0.85 0.00 0.00 -0.56 0.00 0.00 46.19 46.29 2avg s LEU 33 CO -0.06 -1.08 0.44 -0.11 -1.06 0.00 0.00 176.35 174.47 2avg n LEU 34 N -0.51 0.23 -4.47 1.48 7.94 -1.26 -4.86 117.00 115.55 2avg n LEU 34 Ca 0.04 0.66 -0.30 0.00 -1.11 0.00 0.00 56.01 55.30 2avg n LEU 34 Cb 0.63 -0.43 -0.12 0.00 0.53 0.00 0.00 43.42 44.03 2avg n LEU 34 CO 0.31 -0.43 -0.50 -1.59 -1.11 0.00 0.00 177.39 174.07 2avg s LYS 35 N -1.73 1.84 0.34 1.96 0.00 -1.26 -5.07 119.74 115.82 2avg s LYS 35 Ca 0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 55.97 54.59 2avg s LYS 35 Cb 0.00 -2.11 -0.14 0.00 0.00 0.00 0.00 37.83 35.58 2avg s LYS 35 CO 0.00 0.50 0.70 -2.30 0.00 0.00 0.00 175.35 174.25 2avg n PRO 36 N 1.06 0.75 -1.89 1.78 -0.02 -1.26 -4.38 135.00 131.03 2avg n PRO 36 Ca -0.16 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 2avg n PRO 36 Cb 0.53 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 2avg n PRO 36 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2avg s PRO 37 N -1.50 4.18 -0.48 0.52 0.02 -1.26 -4.92 135.00 131.56 2avg s PRO 37 Ca 0.62 2.47 -0.15 0.00 0.02 0.00 0.00 61.00 63.95 2avg s PRO 37 Cb -0.68 -3.00 0.08 0.00 0.02 0.00 0.00 34.50 30.92 2avg s PRO 37 CO 0.58 -0.44 0.41 0.08 -0.33 0.00 0.00 177.00 177.30 2avg s VAL 38 N -1.04 5.19 -0.31 3.83 1.01 0.08 -4.91 120.40 124.24 2avg s VAL 38 Ca 0.52 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2avg s VAL 38 Cb -0.45 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.79 2avg s VAL 38 CO 0.59 -0.63 0.12 -0.69 0.00 0.00 0.00 175.10 174.49 2avg s VAL 39 N 1.62 4.34 -0.17 2.92 1.01 -1.26 0.47 120.40 129.33 2avg s VAL 39 Ca 0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 2avg s VAL 39 Cb -0.25 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2avg s VAL 39 CO 0.06 0.06 -0.05 -1.59 0.00 0.00 0.00 175.10 173.58 2avg s LYS 40 N 1.56 3.58 0.46 2.72 0.00 -0.51 -4.97 119.74 122.59 2avg s LYS 40 Ca 0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 55.97 55.33 2avg s LYS 40 Cb -0.17 -2.91 -0.06 0.00 0.00 0.00 0.00 37.83 34.69 2avg s LYS 40 CO 0.05 0.15 0.85 -1.58 0.00 0.00 0.00 175.35 174.81 2avg s TRP 41 N 0.59 3.49 0.00 1.78 0.52 -1.26 -1.10 118.94 122.96 2avg s TRP 41 Ca -0.03 1.15 0.04 0.00 0.02 0.00 0.00 56.10 57.27 2avg s TRP 41 Cb -0.15 -2.54 -0.01 0.00 -1.15 0.00 0.00 33.47 29.62 2avg s TRP 41 CO 0.03 -0.25 -0.12 0.12 0.02 0.00 0.00 176.95 176.75 2avg s PHE 42 N -2.55 1.05 0.31 -1.98 5.36 -0.21 -4.49 117.98 115.47 2avg s PHE 42 Ca 0.53 -0.23 0.08 0.00 -0.96 0.00 0.00 56.93 56.34 2avg s PHE 42 Cb -0.10 -0.66 -0.04 0.00 -0.34 0.00 0.00 43.02 41.88 2avg s PHE 42 CO 0.35 -0.01 0.19 0.21 -1.46 0.00 0.00 175.22 174.50 2avg s LYS 43 N -0.48 2.59 0.00 10.12 2.20 0.23 -0.80 119.74 133.59 2avg s LYS 43 Ca 0.03 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 2avg s LYS 43 Cb -0.05 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 2avg s LYS 43 CO -0.00 0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 2avg n GLY 44 N -1.20 0.00 0.00 5.54 0.00 -1.23 -1.86 105.19 106.44 2avg n GLY 44 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2avg n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2avg n LYS 45 N 0.00 0.00 0.00 1.61 5.02 -0.02 -3.18 118.16 121.59 2avg n LYS 45 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2avg n LYS 45 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2avg n TRP 46 N -0.79 0.00 -3.13 2.13 4.27 -1.24 -4.94 117.44 113.74 2avg n TRP 46 Ca 0.00 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.36 2avg n TRP 46 Cb 0.15 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.09 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 5.03 -0.35 -1.67 1.01 -0.78 -4.90 120.40 118.75 2avg s VAL 47 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2avg s VAL 47 Cb 0.00 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.60 2avg s VAL 47 CO 0.00 -0.64 0.11 1.51 0.00 0.00 0.00 175.10 176.08 2avg s ASP 48 N -3.99 5.16 0.37 3.32 -4.77 -1.26 0.75 116.67 116.24 2avg s ASP 48 Ca 0.43 -1.53 0.09 0.00 -3.30 0.00 0.00 52.55 48.25 2avg s ASP 48 Cb -0.10 -1.81 0.84 0.00 -1.09 0.00 0.00 42.92 40.77 2avg s ASP 48 CO 0.39 -0.39 1.90 -0.07 0.70 0.00 0.00 175.17 177.70 2avg h LEU 49 N 8.09 0.60 -2.78 2.11 4.07 -1.88 -1.65 115.31 123.87 2avg h LEU 49 Ca -0.19 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.80 2avg h LEU 49 Cb 1.06 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.71 2avg h LEU 49 CO 0.62 0.33 0.05 -1.28 -1.08 0.00 0.00 178.44 177.08 2avg h SER 50 N 0.65 0.00 0.01 -0.43 0.87 -1.95 0.37 113.55 113.08 2avg h SER 50 Ca 0.39 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.56 2avg h SER 50 Cb 0.62 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 2avg h SER 50 CO -0.16 0.00 -2.42 -1.20 -0.53 0.00 0.00 176.83 172.52 2avg n SER 51 N -3.18 1.99 0.06 6.23 7.64 -0.65 -4.72 113.62 121.00 2avg n SER 51 Ca -0.03 -0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.65 2avg n SER 51 Cb 0.12 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 62.64 2avg n SER 51 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2avg h LYS 52 N -0.18 0.30 -3.80 1.43 1.79 -0.59 -3.45 116.57 112.07 2avg h LYS 52 Ca -0.58 -0.52 -0.34 0.00 -2.18 0.00 0.00 60.65 57.03 2avg h LYS 52 Cb 1.85 0.19 -0.08 0.00 -1.58 0.00 0.00 32.23 32.62 2avg h LYS 52 CO -0.13 1.18 1.42 0.28 -1.08 0.00 0.00 179.45 181.12 2avg n VAL 53 N -3.50 0.00 0.00 0.50 0.31 0.11 -4.70 118.33 111.05 2avg n VAL 53 Ca -0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2avg n VAL 53 Cb 1.06 -0.24 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 4.66 4.78 0.00 2.92 0.00 0.37 -4.84 105.19 113.08 2avg n GLY 54 Ca 0.51 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2avg n GLY 54 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2avg n GLN 55 N 0.00 0.11 -0.05 1.61 3.00 -1.26 -2.50 117.38 118.29 2avg n GLN 55 Ca 0.00 0.12 -0.07 0.00 -0.01 0.00 0.00 57.00 57.05 2avg n GLN 55 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 28.69 2avg n GLN 55 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 2avg n HIS 56 N -1.42 0.00 -4.00 1.08 1.44 -1.26 -4.85 115.22 106.21 2avg n HIS 56 Ca 0.07 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.47 2avg n HIS 56 Cb 0.21 -0.41 -0.15 0.00 0.12 0.00 0.00 29.99 29.76 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 -5.37 4.16 -0.33 2.39 2.96 -1.16 0.54 118.68 121.87 2avg s LEU 57 Ca -0.12 -1.91 -0.16 0.00 -0.22 0.00 0.00 54.13 51.72 2avg s LEU 57 Cb 0.03 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 2avg s LEU 57 CO 0.27 -0.34 0.41 -1.10 -1.32 0.00 0.00 176.35 174.27 2avg s GLN 58 N 1.03 3.67 -0.78 1.98 1.11 0.99 0.14 119.66 127.81 2avg s GLN 58 Ca 0.06 -0.25 -0.17 0.00 0.01 0.00 0.00 55.36 55.01 2avg s GLN 58 Cb -0.19 -3.77 0.16 0.00 -1.01 0.00 0.00 33.01 28.19 2avg s GLN 58 CO -0.09 -0.51 0.85 -1.17 0.01 0.00 0.00 175.29 174.39 2avg s LEU 59 N 2.13 5.82 0.33 2.90 0.20 -1.26 0.60 118.68 129.40 2avg s LEU 59 Ca 0.14 -2.10 -0.00 0.00 0.69 0.00 0.00 54.13 52.86 2avg s LEU 59 Cb -0.16 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 2avg s LEU 59 CO 0.12 -0.89 0.54 -2.28 -0.29 0.00 0.00 176.35 173.55 2avg s HIS 60 N 1.72 3.50 -0.15 5.38 2.46 0.42 -4.90 115.29 123.72 2avg s HIS 60 Ca 0.20 0.39 -0.03 0.00 0.47 0.00 0.00 55.06 56.09 2avg s HIS 60 Cb -0.13 -1.92 0.05 0.00 -0.13 0.00 0.00 32.58 30.45 2avg s HIS 60 CO -0.04 0.14 0.04 0.16 -2.47 0.00 0.00 174.74 172.56 2avg s ASP 61 N -3.87 2.42 0.09 9.88 -4.77 -1.25 0.46 116.67 119.62 2avg s ASP 61 Ca 0.40 -0.57 -0.03 0.00 -3.30 0.00 0.00 52.55 49.05 2avg s ASP 61 Cb -0.10 -0.48 -0.05 0.00 -1.09 0.00 0.00 42.92 41.21 2avg s ASP 61 CO 0.35 -0.28 0.30 -0.44 0.70 0.00 0.00 175.17 175.80 2avg s SER 62 N 1.95 6.44 -0.31 2.11 0.01 0.32 -4.93 113.70 119.29 2avg s SER 62 Ca 0.01 0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.72 2avg s SER 62 Cb -0.15 -2.04 0.12 0.00 0.21 0.00 0.00 66.02 64.15 2avg s SER 62 CO -0.07 0.12 0.19 -0.47 0.41 0.00 0.00 173.24 173.42 2avg s TYR 63 N -1.56 0.19 -0.13 2.43 5.04 -1.26 -0.43 117.35 121.63 2avg s TYR 63 Ca 0.37 -0.86 0.01 0.00 -2.44 0.00 0.00 57.07 54.15 2avg s TYR 63 Cb -0.13 -0.78 -0.00 0.00 0.35 0.00 0.00 41.96 41.40 2avg s TYR 63 CO 0.25 -0.86 -0.17 0.34 -1.34 0.00 0.00 175.55 173.77 2avg s ASP 64 N 1.93 3.60 -0.21 4.32 -1.08 -0.38 -4.99 116.67 119.86 2avg s ASP 64 Ca 0.11 -0.46 0.16 0.00 -0.52 0.00 0.00 52.55 51.84 2avg s ASP 64 Cb -0.17 -1.53 -0.24 0.00 -1.46 0.00 0.00 42.92 39.52 2avg s ASP 64 CO -0.27 0.13 0.04 0.54 0.52 0.00 0.00 175.17 176.12 2avg n ARG 65 N 3.75 0.68 0.25 4.34 5.12 -1.26 -0.62 116.66 128.92 2avg n ARG 65 Ca -0.19 0.02 0.15 0.00 -1.93 0.00 0.00 57.85 55.90 2avg n ARG 65 Cb 0.52 -1.52 0.46 0.00 -1.16 0.00 0.00 32.46 30.76 2avg n ARG 65 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2avg h ALA 66 N 0.86 1.00 0.00 7.54 0.00 -1.95 -2.54 119.26 124.17 2avg h ALA 66 Ca -0.55 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2avg h ALA 66 Cb 2.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 2avg h ALA 66 CO 0.01 0.00 -1.87 0.43 0.00 0.00 0.00 179.25 177.82 2avg n SER 67 N -3.08 0.13 -1.50 0.00 7.64 -1.25 -4.98 113.62 110.58 2avg n SER 67 Ca 0.02 0.05 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 2avg n SER 67 Cb 0.40 1.73 0.01 0.00 -1.01 0.00 0.00 64.21 65.33 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 -2.34 -1.68 -4.42 1.43 3.00 -0.65 -4.95 118.16 108.55 2avg n LYS 68 Ca -0.05 0.53 -0.23 0.00 -0.00 0.00 0.00 58.31 58.56 2avg n LYS 68 Cb 0.59 -4.61 -0.16 0.00 0.00 0.00 0.00 35.03 30.85 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 -2.70 0.91 -0.38 3.15 1.01 0.21 0.46 120.40 123.06 2avg s VAL 69 Ca 0.07 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2avg s VAL 69 Cb -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2avg s VAL 69 CO 0.09 0.31 0.27 -0.31 0.00 0.00 0.00 175.10 175.45 2avg s TYR 70 N 0.77 3.23 -0.49 5.22 2.02 0.11 -1.25 117.35 126.97 2avg s TYR 70 Ca -0.13 -0.45 -0.18 0.00 -0.37 0.00 0.00 57.07 55.94 2avg s TYR 70 Cb -0.15 -2.53 0.05 0.00 -0.40 0.00 0.00 41.96 38.93 2avg s TYR 70 CO 0.02 -0.49 0.57 -1.17 -1.57 0.00 0.00 175.55 172.90 2avg s LEU 71 N 1.69 5.02 -0.41 -1.29 2.96 0.43 -1.46 118.68 125.62 2avg s LEU 71 Ca 0.05 -0.91 -0.24 0.00 -0.22 0.00 0.00 54.13 52.82 2avg s LEU 71 Cb -0.18 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.11 2avg s LEU 71 CO 0.10 -0.81 0.82 -0.36 -1.32 0.00 0.00 176.35 174.79 2avg s PHE 72 N 2.43 3.04 -0.15 5.38 0.08 0.92 0.12 117.98 129.79 2avg s PHE 72 Ca 0.13 0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.63 2avg s PHE 72 Cb -0.19 -3.61 0.02 0.00 -0.57 0.00 0.00 43.02 38.67 2avg s PHE 72 CO 0.12 -0.88 -0.19 -1.83 -0.10 0.00 0.00 175.22 172.34 2avg s GLU 73 N 3.31 2.77 -0.06 0.44 -1.05 0.17 0.71 118.70 125.00 2avg s GLU 73 Ca 0.33 -0.75 -0.21 0.00 -0.15 0.00 0.00 54.97 54.19 2avg s GLU 73 Cb -0.12 -2.35 -0.04 0.00 -0.44 0.00 0.00 34.13 31.18 2avg s GLU 73 CO 0.20 -0.13 0.59 -0.51 0.95 0.00 0.00 175.26 176.36 2avg s LEU 74 N 1.13 4.35 -0.45 1.83 1.43 0.23 -0.43 118.68 126.76 2avg s LEU 74 Ca -0.00 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2avg s LEU 74 Cb -0.14 -2.90 0.12 0.00 0.03 0.00 0.00 46.19 43.30 2avg s LEU 74 CO -0.07 0.01 0.23 -1.00 0.23 0.00 0.00 176.35 175.74 2avg s HIS 75 N 0.34 3.55 -0.33 0.29 3.76 0.20 -2.61 115.29 120.48 2avg s HIS 75 Ca 0.31 -2.67 0.03 0.00 -0.15 0.00 0.00 55.06 52.58 2avg s HIS 75 Cb -0.17 -3.12 0.09 0.00 1.11 0.00 0.00 32.58 30.49 2avg s HIS 75 CO 0.15 -0.92 0.04 0.42 -0.85 0.00 0.00 174.74 173.58 2avg s ILE 76 N 0.70 2.08 0.00 0.60 1.01 -0.70 -0.00 121.20 124.89 2avg s ILE 76 Ca 0.11 -2.14 0.04 0.00 0.00 0.00 0.00 60.65 58.67 2avg s ILE 76 Cb -0.22 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2avg s ILE 76 CO -0.04 -0.54 -0.11 0.42 0.00 0.00 0.00 174.94 174.67 2avg s THR 77 N 1.02 3.35 -0.31 2.92 -4.23 0.19 0.11 115.64 118.69 2avg s THR 77 Ca 0.08 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 2avg s THR 77 Cb -0.19 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2avg s THR 77 CO -0.10 0.41 0.20 0.47 -0.54 0.00 0.00 174.62 175.07 2avg n ASP 78 N 1.67 -7.20 -4.69 3.99 8.00 0.21 -4.63 116.55 113.91 2avg n ASP 78 Ca -0.16 0.94 -0.42 0.00 0.71 0.00 0.00 54.79 55.86 2avg n ASP 78 Cb 0.52 -4.78 -0.03 0.00 -0.02 0.00 0.00 41.12 36.82 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2avg s ALA 79 N -1.80 3.49 0.27 2.24 0.00 -1.26 -4.87 121.76 119.82 2avg s ALA 79 Ca 0.09 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 2avg s ALA 79 Cb -0.02 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 2avg s ALA 79 CO 0.67 -0.75 1.57 -1.14 0.00 0.00 0.00 175.76 176.11 2avg s GLN 80 N 2.21 4.16 0.53 0.00 2.00 -1.26 -4.25 119.66 123.05 2avg s GLN 80 Ca 0.55 2.50 -0.22 0.00 -2.00 0.00 0.00 55.36 56.19 2avg s GLN 80 Cb -0.24 -3.06 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 2avg s GLN 80 CO 0.21 -0.59 1.37 -1.25 -0.50 0.00 0.00 175.29 174.53 2avg s PRO 81 N -0.22 3.24 -1.11 1.67 0.04 -1.26 -1.42 135.00 135.94 2avg s PRO 81 Ca 0.64 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2avg s PRO 81 Cb -0.46 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2avg s PRO 81 CO 0.44 -1.12 0.00 0.00 0.04 0.00 0.00 177.00 176.37 2avg n ALA 82 N -0.88 -0.16 0.09 8.56 0.00 -1.26 -4.87 120.51 121.99 2avg n ALA 82 Ca 0.09 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 2avg n ALA 82 Cb 0.44 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.55 2avg n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2avg h PHE 83 N 0.00 0.29 -1.64 0.00 3.57 -1.57 -3.46 116.94 114.14 2avg h PHE 83 Ca -0.21 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2avg h PHE 83 Cb 0.88 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2avg h PHE 83 CO 0.42 0.83 0.00 2.41 -2.23 0.00 0.00 178.31 179.73 2avg n THR 84 N -3.81 0.00 -1.84 4.41 -1.04 -1.21 -0.84 114.28 109.95 2avg n THR 84 Ca -0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.63 2avg n THR 84 Cb 0.67 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 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 -0.22 -0.09 -1.24 3.41 0.00 0.17 -2.81 107.32 106.53 2avg s GLY 85 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 2avg s GLY 85 CO 0.00 3.73 1.68 0.61 0.00 0.00 0.00 173.10 179.13 2avg n GLY 86 N 5.93 4.25 3.66 0.20 0.00 -1.19 0.21 105.19 118.25 2avg n GLY 86 Ca 0.29 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 0.67 3.34 -0.17 1.61 1.51 -0.89 -3.48 117.35 119.94 2avg s TYR 87 Ca 0.40 1.40 -0.00 0.00 -1.01 0.00 0.00 57.07 57.87 2avg s TYR 87 Cb 0.04 -3.22 0.04 0.00 -0.11 0.00 0.00 41.96 38.71 2avg s TYR 87 CO 0.01 -0.46 -0.07 1.03 -1.11 0.00 0.00 175.55 174.95 2avg s ARG 88 N 3.11 1.63 -0.14 -0.62 0.52 0.02 -2.48 118.95 120.99 2avg s ARG 88 Ca 0.42 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.86 2avg s ARG 88 Cb -0.15 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2avg s ARG 88 CO 0.06 -0.42 0.45 0.00 0.02 0.00 0.00 175.30 175.41 2avg s GLU 90 N 0.75 1.64 -0.13 0.00 2.12 -0.26 0.26 118.70 123.08 2avg s GLU 90 Ca 0.24 -0.76 -0.05 0.00 0.36 0.00 0.00 54.97 54.77 2avg s GLU 90 Cb -0.15 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 2avg s GLU 90 CO 0.09 -0.49 0.03 0.54 -0.54 0.00 0.00 175.26 174.89 2avg s VAL 91 N 1.50 4.57 -0.23 3.70 0.11 -0.73 -1.42 120.40 127.89 2avg s VAL 91 Ca -0.02 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2avg s VAL 91 Cb -0.17 -2.99 0.06 0.00 -1.53 0.00 0.00 36.38 31.76 2avg s VAL 91 CO -0.07 0.55 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.69 2avg s SER 92 N -0.35 3.51 0.32 3.54 0.15 0.18 -3.11 113.70 117.93 2avg s SER 92 Ca 0.08 -1.08 0.06 0.00 0.70 0.00 0.00 55.95 55.71 2avg s SER 92 Cb -0.12 -0.94 -0.06 0.00 -1.71 0.00 0.00 66.02 63.19 2avg s SER 92 CO 0.02 -0.28 -0.02 -0.89 1.20 0.00 0.00 173.24 173.28 2avg s THR 93 N 1.58 1.61 0.00 6.45 2.01 -0.80 -0.74 115.64 125.75 2avg s THR 93 Ca -0.03 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 59.90 2avg s THR 93 Cb -0.18 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.68 2avg s THR 93 CO -0.08 -0.16 0.00 2.29 -0.69 0.00 0.00 174.62 175.98 2avg n LYS 94 N -0.69 0.00 0.00 4.92 -0.00 -1.26 -2.24 118.16 118.89 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 -0.50 0.00 -4.80 -5.58 2.03 -1.26 -5.02 116.55 101.42 2avg n ASP 95 Ca 0.00 -0.30 -0.37 0.00 0.52 0.00 0.00 54.79 54.64 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 3.99 0.01 -0.67 1.02 -0.95 -2.06 119.74 121.07 2avg s LYS 96 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.23 2avg s LYS 96 Cb 0.00 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2avg s LYS 96 CO 0.00 0.50 -0.10 0.12 -0.92 0.00 0.00 175.35 174.95 2avg s PHE 97 N -0.38 0.86 0.12 3.18 2.19 -1.26 -1.91 117.98 120.78 2avg s PHE 97 Ca 0.20 -0.23 -0.25 0.00 0.33 0.00 0.00 56.93 56.98 2avg s PHE 97 Cb -0.14 -0.54 0.07 0.00 -1.31 0.00 0.00 43.02 41.10 2avg s PHE 97 CO 0.08 -0.01 0.80 0.34 1.83 0.00 0.00 175.22 178.26 2avg s ASP 98 N -0.54 -0.36 -0.05 6.13 -1.08 -1.18 -5.02 116.67 114.58 2avg s ASP 98 Ca 0.02 -0.19 -0.20 0.00 -0.52 0.00 0.00 52.55 51.66 2avg s ASP 98 Cb -0.05 0.52 0.04 0.00 -1.46 0.00 0.00 42.92 41.97 2avg s ASP 98 CO 0.00 -0.89 0.45 0.00 0.52 0.00 0.00 175.17 175.25 2avg s SER 100 N -1.08 2.45 -0.14 0.00 0.15 0.14 -4.96 113.70 110.27 2avg s SER 100 Ca -0.11 -0.65 -0.03 0.00 0.70 0.00 0.00 55.95 55.87 2avg s SER 100 Cb -0.03 -0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.18 2avg s SER 100 CO 0.06 0.07 0.03 0.54 1.20 0.00 0.00 173.24 175.14 2avg s ASN 101 N -1.75 2.21 -0.05 5.45 6.03 -1.26 -1.44 114.94 124.13 2avg s ASN 101 Ca 0.06 -0.46 -0.02 0.00 -1.03 0.00 0.00 52.86 51.41 2avg s ASN 101 Cb -0.10 -0.45 0.03 0.00 -3.03 0.00 0.00 41.25 37.71 2avg s ASN 101 CO 0.04 -0.27 0.11 0.72 -2.03 0.00 0.00 177.10 175.66 2avg s PHE 102 N 1.97 -0.10 -0.11 1.54 -0.71 -1.04 -4.84 117.98 114.69 2avg s PHE 102 Ca 0.02 0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 56.25 2avg s PHE 102 Cb -0.15 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 2avg s PHE 102 CO -0.07 -0.13 -0.04 -0.80 -1.34 0.00 0.00 175.22 172.84 2avg s ASN 103 N 0.97 4.84 -0.39 1.98 0.01 -1.21 -2.09 114.94 119.04 2avg s ASN 103 Ca -0.08 -0.04 -0.13 0.00 -0.71 0.00 0.00 52.86 51.91 2avg s ASN 103 Cb -0.10 -1.52 0.02 0.00 0.41 0.00 0.00 41.25 40.06 2avg s ASN 103 CO -0.04 0.27 0.24 -0.22 -1.51 0.00 0.00 177.10 175.85 2avg s LEU 104 N -0.27 4.87 -0.69 0.60 2.96 0.13 -2.06 118.68 124.22 2avg s LEU 104 Ca 0.05 -0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 52.79 2avg s LEU 104 Cb -0.13 -2.08 0.10 0.00 0.50 0.00 0.00 46.19 44.58 2avg s LEU 104 CO 0.02 -0.41 0.90 -0.89 -1.32 0.00 0.00 176.35 174.66 2avg s THR 105 N 1.60 4.60 -0.34 3.68 2.01 0.10 0.45 115.64 127.74 2avg s THR 105 Ca 0.03 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.90 2avg s THR 105 Cb -0.19 -4.63 0.01 0.00 0.01 0.00 0.00 72.50 67.70 2avg s THR 105 CO 0.08 -1.35 0.99 0.54 -0.69 0.00 0.00 174.62 174.19 2avg s VAL 106 N 3.25 4.56 -0.68 3.82 0.11 -1.24 -0.90 120.40 129.32 2avg s VAL 106 Ca 0.20 1.48 -0.23 0.00 -2.93 0.00 0.00 61.98 60.51 2avg s VAL 106 Cb -0.17 -4.36 0.07 0.00 -1.53 0.00 0.00 36.38 30.39 2avg s VAL 106 CO 0.05 -0.49 1.01 -1.00 -3.33 0.00 0.00 175.10 171.34 2avg s HIS 107 N 3.54 2.65 -0.06 1.54 3.76 0.31 -4.50 115.29 122.52 2avg s HIS 107 Ca 0.42 -0.53 -0.10 0.00 -0.15 0.00 0.00 55.06 54.70 2avg s HIS 107 Cb -0.12 -4.33 -0.06 0.00 1.11 0.00 0.00 32.58 29.18 2avg s HIS 107 CO 0.17 -1.69 0.40 1.49 -0.85 0.00 0.00 174.74 174.25 2avg h GLU 108 N 9.59 -0.31 0.00 1.40 4.81 -1.93 -0.06 114.58 128.08 2avg h GLU 108 Ca -0.27 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2avg h GLU 108 Cb 1.07 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2avg h GLU 108 CO 1.19 -0.19 -0.11 0.00 -0.73 0.00 0.00 179.01 179.18 2avg n ALA 109 N -2.75 1.74 -1.35 2.92 0.00 -1.26 -4.80 120.51 115.02 2avg n ALA 109 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2avg n ALA 109 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2avg n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50