#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 5.18 -0.93 -1.12 1.01 -1.26 -4.92 116.67 114.63 2avg s ASP 2 Ca 0.00 0.68 -0.25 0.00 0.71 0.00 0.00 52.55 53.69 2avg s ASP 2 Cb 0.00 -1.47 -0.08 0.00 1.01 0.00 0.00 42.92 42.38 2avg s ASP 2 CO 0.00 -1.38 2.05 -2.16 0.21 0.00 0.00 175.17 173.89 2avg s PRO 3 N -5.19 2.28 -0.03 8.23 0.04 -1.26 -4.60 135.00 134.48 2avg s PRO 3 Ca 0.58 -0.26 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 2avg s PRO 3 Cb -0.11 -5.03 -0.02 0.00 0.04 0.00 0.00 34.50 29.39 2avg s PRO 3 CO 0.46 -3.79 -0.09 -0.89 0.04 0.00 0.00 177.00 172.73 2avg n ILE 4 N 8.11 0.67 -0.63 0.56 -0.00 -1.26 -5.02 119.36 121.79 2avg n ILE 4 Ca 0.42 0.27 0.00 0.00 -0.00 0.00 0.00 62.75 63.44 2avg n ILE 4 Cb 0.46 -1.63 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 2.40 0.53 0.29 7.39 0.00 -1.26 -4.98 105.19 109.55 2avg n GLY 5 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 0.39 -7.81 0.99 5.85 -1.95 -3.30 115.31 109.48 2avg h LEU 6 Ca 0.00 -0.03 -0.73 0.00 0.84 0.00 0.00 57.88 57.96 2avg h LEU 6 Cb 0.31 -0.10 -0.20 0.00 0.37 0.00 0.00 40.66 41.05 2avg h LEU 6 CO 0.00 0.35 0.95 0.12 -0.34 0.00 0.00 178.44 179.53 2avg s PHE 7 N -5.23 3.47 -0.04 1.25 5.36 -1.26 -2.23 117.98 119.29 2avg s PHE 7 Ca -0.07 -1.91 -0.23 0.00 -0.96 0.00 0.00 56.93 53.75 2avg s PHE 7 Cb 0.17 -4.21 -0.25 0.00 -0.34 0.00 0.00 43.02 38.40 2avg s PHE 7 CO 0.73 -1.34 1.01 0.28 -1.46 0.00 0.00 175.22 174.44 2avg h VAL 8 N 4.99 1.53 -2.53 3.12 2.07 -1.49 -3.46 116.25 120.48 2avg h VAL 8 Ca 0.22 -2.07 -0.09 0.00 0.82 0.00 0.00 66.70 65.58 2avg h VAL 8 Cb 0.94 2.82 -0.25 0.00 -1.52 0.00 0.00 31.29 33.28 2avg h VAL 8 CO 1.12 0.58 -0.23 -0.32 0.02 0.00 0.00 177.57 178.74 2avg s MET 9 N -3.00 0.46 -0.03 1.57 -2.45 -0.94 -4.99 119.30 109.92 2avg s MET 9 Ca -0.15 0.85 0.01 0.00 -1.25 0.00 0.00 55.69 55.14 2avg s MET 9 Cb 0.01 0.03 -0.03 0.00 1.25 0.00 0.00 34.83 36.09 2avg s MET 9 CO 0.77 -0.15 -0.01 -0.98 1.05 0.00 0.00 175.02 175.70 2avg s ARG 10 N 1.32 2.82 0.68 4.11 1.70 -1.26 -0.61 118.95 127.71 2avg s ARG 10 Ca -0.09 -0.56 -0.12 0.00 -0.47 0.00 0.00 55.73 54.49 2avg s ARG 10 Cb -0.07 -2.68 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 2avg s ARG 10 CO -0.13 0.65 1.07 -1.25 -1.08 0.00 0.00 175.30 174.56 2avg s PRO 11 N -1.28 2.91 0.54 3.89 0.04 -1.02 -4.94 135.00 135.13 2avg s PRO 11 Ca 0.17 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.33 2avg s PRO 11 Cb -0.11 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2avg s PRO 11 CO 0.07 -1.13 0.15 1.04 0.04 0.00 0.00 177.00 177.17 2avg n GLN 12 N -2.83 0.70 0.00 4.56 1.13 -1.26 -4.60 117.38 115.07 2avg n GLN 12 Ca 0.08 -3.74 0.00 0.00 -1.94 0.00 0.00 57.00 51.40 2avg n GLN 12 Cb 0.53 0.79 0.00 0.00 0.11 0.00 0.00 30.24 31.67 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 -1.50 0.00 0.00 1.08 5.75 -1.26 -4.57 116.55 116.05 2avg n ASP 13 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 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 2.89 3.69 3.20 6.12 0.00 -0.38 -4.84 105.19 115.86 2avg n GLY 14 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.04 2.56 0.25 1.61 2.02 -1.26 -0.16 118.70 122.67 2avg s GLU 15 Ca 0.00 -1.18 0.07 0.00 0.02 0.00 0.00 54.97 53.87 2avg s GLU 15 Cb 0.00 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 2avg s GLU 15 CO 0.00 -0.58 -0.08 0.14 0.02 0.00 0.00 175.26 174.76 2avg s VAL 16 N 1.30 1.59 0.19 2.63 -7.23 -0.14 -4.94 120.40 113.79 2avg s VAL 16 Ca -0.04 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 2avg s VAL 16 Cb -0.19 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2avg s VAL 16 CO -0.01 -0.41 0.36 -0.89 -0.31 0.00 0.00 175.10 173.84 2avg s THR 17 N -3.05 5.24 -0.37 5.32 2.01 -1.26 0.18 115.64 123.70 2avg s THR 17 Ca 0.27 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 2avg s THR 17 Cb 0.02 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2avg s THR 17 CO 0.10 -0.15 2.06 -0.69 -0.69 0.00 0.00 174.62 175.24 2avg s VAL 18 N -1.83 3.22 0.00 3.82 1.01 -0.66 -1.26 120.40 124.70 2avg s VAL 18 Ca 0.37 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2avg s VAL 18 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2avg s VAL 18 CO 0.29 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2avg n GLY 19 N 5.68 1.53 0.00 4.51 0.00 -1.26 -4.95 105.19 110.70 2avg n GLY 19 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.69 0.43 3.59 -0.02 0.00 -0.39 -4.72 105.19 103.39 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 -1.35 0.00 0.00 0.00 173.32 171.97 2avg s SER 21 N -1.00 -0.00 -0.02 1.61 1.04 -1.26 -0.04 113.70 114.02 2avg s SER 21 Ca 0.00 -0.98 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 2avg s SER 21 Cb 0.00 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.74 2avg s SER 21 CO 0.00 -1.18 0.20 -0.51 0.98 0.00 0.00 173.24 172.73 2avg s ILE 22 N -3.86 0.06 -0.04 -1.02 1.10 0.18 -4.77 121.20 112.84 2avg s ILE 22 Ca 0.23 -0.47 -0.01 0.00 -0.51 0.00 0.00 60.65 59.89 2avg s ILE 22 Cb -0.01 -0.45 0.03 0.00 0.15 0.00 0.00 42.46 42.18 2avg s ILE 22 CO 0.10 -0.26 0.04 -0.89 -2.11 0.00 0.00 174.94 171.82 2avg s THR 23 N -1.01 0.01 0.06 4.00 2.01 -1.26 -1.68 115.64 117.78 2avg s THR 23 Ca -0.11 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.25 2avg s THR 23 Cb -0.06 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 2avg s THR 23 CO 0.02 0.16 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.53 2avg s PHE 24 N 1.70 1.95 -0.04 4.92 0.08 -1.16 -4.86 117.98 120.56 2avg s PHE 24 Ca -0.01 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 2avg s PHE 24 Cb -0.13 -1.14 0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2avg s PHE 24 CO -0.03 0.13 0.02 -1.12 -0.10 0.00 0.00 175.22 174.12 2avg s SER 25 N -1.33 0.84 -0.23 1.36 0.01 -1.26 0.39 113.70 113.48 2avg s SER 25 Ca 0.09 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 2avg s SER 25 Cb -0.09 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.94 2avg s SER 25 CO 0.02 -0.17 -0.10 0.00 0.41 0.00 0.00 173.24 173.41 2avg s ALA 26 N 1.56 2.61 -0.30 1.44 0.00 0.10 -2.44 121.76 124.73 2avg s ALA 26 Ca -0.02 -1.44 -0.08 0.00 0.00 0.00 0.00 51.96 50.42 2avg s ALA 26 Cb -0.13 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 2avg s ALA 26 CO -0.03 -0.75 0.11 1.03 0.00 0.00 0.00 175.76 176.12 2avg s ARG 27 N 1.29 3.24 -0.13 0.00 0.52 0.22 -0.40 118.95 123.69 2avg s ARG 27 Ca 0.00 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2avg s ARG 27 Cb -0.16 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.86 2avg s ARG 27 CO -0.06 -0.41 -0.21 0.08 0.02 0.00 0.00 175.30 174.72 2avg s VAL 28 N 1.56 2.24 -0.17 3.52 1.01 -0.05 -2.03 120.40 126.48 2avg s VAL 28 Ca 0.04 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 2avg s VAL 28 Cb -0.17 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.26 2avg s VAL 28 CO 0.04 0.54 2.17 0.00 0.00 0.00 0.00 175.10 177.86 2avg s ALA 29 N 0.65 2.89 0.22 5.51 0.00 -0.95 0.18 121.76 130.25 2avg s ALA 29 Ca -0.10 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 2avg s ALA 29 Cb -0.16 -4.03 0.24 0.00 0.00 0.00 0.00 23.12 19.17 2avg s ALA 29 CO 0.02 -2.56 1.60 0.78 0.00 0.00 0.00 175.76 175.60 2avg h GLY 30 N 14.21 0.30 0.00 0.00 0.00 -0.91 -3.44 103.07 113.23 2avg h GLY 30 Ca -0.43 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2avg h GLY 30 CO 0.96 -0.25 0.00 0.00 0.00 0.00 0.00 176.54 177.24 2avg n ALA 31 N -3.21 0.00 -2.71 3.60 0.00 -1.26 -4.58 120.51 112.35 2avg n ALA 31 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 2avg n ALA 31 Cb 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 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 3.77 0.18 0.00 1.04 -1.26 -5.08 113.70 108.35 2avg s SER 32 Ca 0.00 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.07 2avg s SER 32 Cb 0.00 -1.06 0.02 0.00 0.10 0.00 0.00 66.02 65.08 2avg s SER 32 CO 0.00 0.27 0.31 0.00 0.98 0.00 0.00 173.24 174.80 2avg n LEU 33 N 2.82 0.00 -0.12 2.42 -0.00 -1.26 -4.85 117.00 116.01 2avg n LEU 33 Ca -0.17 -1.28 -0.24 0.00 -0.00 0.00 0.00 56.01 54.32 2avg n LEU 33 Cb 0.52 1.54 -0.11 0.00 -0.00 0.00 0.00 43.42 45.37 2avg n LEU 33 CO 0.27 -0.36 -1.26 -0.11 -0.00 0.00 0.00 177.39 175.92 2avg n LEU 34 N 0.00 2.41 -4.27 1.47 7.94 -1.26 -4.95 117.00 118.34 2avg n LEU 34 Ca -0.02 0.15 -0.30 0.00 -1.11 0.00 0.00 56.01 54.73 2avg n LEU 34 Cb 0.28 -0.90 -0.16 0.00 0.53 0.00 0.00 43.42 43.17 2avg n LEU 34 CO 0.13 0.72 -0.55 -1.59 -1.11 0.00 0.00 177.39 174.98 2avg s LYS 35 N -2.50 2.05 0.83 1.96 0.00 -1.26 -5.08 119.74 115.73 2avg s LYS 35 Ca -0.35 -0.86 -0.13 0.00 0.00 0.00 0.00 55.97 54.63 2avg s LYS 35 Cb 0.11 -1.92 0.06 0.00 0.00 0.00 0.00 37.83 36.08 2avg s LYS 35 CO 0.57 0.49 0.94 -0.35 0.00 0.00 0.00 175.35 177.00 2avg n PRO 36 N 2.59 0.06 -1.68 1.78 -0.04 -1.26 -3.97 135.00 132.48 2avg n PRO 36 Ca -0.16 0.09 -0.45 0.00 -0.04 0.00 0.00 63.50 62.94 2avg n PRO 36 Cb 0.52 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 2avg n PRO 36 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2avg n PRO 37 N -2.65 2.43 -3.44 0.54 -0.04 -1.26 -4.83 135.00 125.75 2avg n PRO 37 Ca 0.12 0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 64.03 2avg n PRO 37 Cb 0.51 -2.73 -0.08 0.00 -0.04 0.00 0.00 33.50 31.16 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 2.59 4.96 -0.34 0.52 1.01 -0.63 -4.94 120.40 123.57 2avg s VAL 38 Ca 0.84 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2avg s VAL 38 Cb -0.60 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 31.78 2avg s VAL 38 CO 0.42 -0.59 0.20 -0.69 0.00 0.00 0.00 175.10 174.43 2avg s VAL 39 N 1.58 4.85 -0.19 2.92 1.01 -1.26 0.59 120.40 129.89 2avg s VAL 39 Ca 0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 2avg s VAL 39 Cb -0.24 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2avg s VAL 39 CO 0.05 -0.02 0.05 -1.59 0.00 0.00 0.00 175.10 173.58 2avg s LYS 40 N 1.64 3.86 0.31 2.72 0.00 -0.52 -4.96 119.74 122.80 2avg s LYS 40 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 55.97 55.57 2avg s LYS 40 Cb -0.18 -3.19 -0.05 0.00 0.00 0.00 0.00 37.83 34.41 2avg s LYS 40 CO 0.08 0.17 0.58 -1.58 0.00 0.00 0.00 175.35 174.60 2avg s TRP 41 N 0.63 3.48 -0.01 1.78 0.52 -1.26 -0.63 118.94 123.45 2avg s TRP 41 Ca 0.02 0.67 0.03 0.00 0.02 0.00 0.00 56.10 56.84 2avg s TRP 41 Cb -0.13 -2.13 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 2avg s TRP 41 CO 0.02 0.13 -0.09 0.12 0.02 0.00 0.00 176.95 177.15 2avg s PHE 42 N -2.14 0.77 0.36 -1.98 5.36 0.08 -4.40 117.98 116.04 2avg s PHE 42 Ca 0.45 -0.15 0.07 0.00 -0.96 0.00 0.00 56.93 56.34 2avg s PHE 42 Cb -0.11 -0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 42.06 2avg s PHE 42 CO 0.31 -0.02 0.43 0.21 -1.46 0.00 0.00 175.22 174.69 2avg s LYS 43 N -0.19 2.89 0.00 10.12 2.20 0.12 -0.17 119.74 134.70 2avg s LYS 43 Ca 0.03 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 2avg s LYS 43 Cb -0.03 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2avg s LYS 43 CO -0.00 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2avg n GLY 44 N -1.59 0.00 0.00 5.54 0.00 -1.19 -2.60 105.19 105.35 2avg n GLY 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.24 -3.00 118.16 120.56 2avg n LYS 45 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2avg n LYS 45 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 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 -1.02 0.00 -3.01 2.13 4.27 -1.26 -4.88 117.44 113.67 2avg n TRP 46 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 2avg n TRP 46 Cb 0.32 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.29 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 3.93 0.24 -1.67 1.01 -1.07 -4.94 120.40 117.90 2avg s VAL 47 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2avg s VAL 47 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2avg s VAL 47 CO 0.00 -0.30 0.03 1.51 0.00 0.00 0.00 175.10 176.34 2avg s ASP 48 N -4.22 4.79 -0.16 3.32 -4.77 -1.26 0.11 116.67 114.47 2avg s ASP 48 Ca 0.48 -0.50 0.18 0.00 -3.30 0.00 0.00 52.55 49.41 2avg s ASP 48 Cb -0.10 -0.99 -0.25 0.00 -1.09 0.00 0.00 42.92 40.48 2avg s ASP 48 CO 0.37 0.02 0.19 0.18 0.70 0.00 0.00 175.17 176.63 2avg n LEU 49 N -0.74 0.10 0.31 2.11 4.32 -1.26 -4.41 117.00 117.43 2avg n LEU 49 Ca -0.08 0.05 0.19 0.00 -0.02 0.00 0.00 56.01 56.15 2avg n LEU 49 Cb 0.58 0.40 1.01 0.00 -1.62 0.00 0.00 43.42 43.79 2avg n LEU 49 CO 0.40 0.42 1.16 -1.28 -1.22 0.00 0.00 177.39 176.88 2avg h SER 50 N 0.00 0.00 0.00 -1.43 0.87 -1.96 0.47 113.55 111.49 2avg h SER 50 Ca -0.45 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 59.73 2avg h SER 50 Cb 2.07 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.96 2avg h SER 50 CO 0.03 0.00 -2.44 -1.20 -0.53 0.00 0.00 176.83 172.70 2avg n SER 51 N -3.20 1.07 -0.00 6.23 7.64 -1.26 -4.64 113.62 119.45 2avg n SER 51 Ca -0.02 -0.08 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 2avg n SER 51 Cb 0.22 0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.00 0.04 -3.87 1.43 1.79 -0.47 -3.45 116.57 112.05 2avg h LYS 52 Ca -0.57 -0.07 -0.32 0.00 -2.18 0.00 0.00 60.65 57.51 2avg h LYS 52 Cb 2.06 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 32.65 2avg h LYS 52 CO -0.03 0.66 1.49 0.28 -1.08 0.00 0.00 179.45 180.76 2avg n VAL 53 N -3.15 0.00 0.00 0.50 0.31 0.49 -4.36 118.33 112.12 2avg n VAL 53 Ca -0.16 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2avg n VAL 53 Cb 1.04 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 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 4.57 -0.45 0.13 2.92 0.00 0.44 -4.86 105.19 107.94 2avg n GLY 54 Ca 0.52 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.77 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 0.64 0.02 1.61 6.02 -1.26 -4.15 117.38 120.26 2avg n GLN 55 Ca 0.00 0.31 -0.18 0.00 -0.01 0.00 0.00 57.00 57.12 2avg n GLN 55 Cb 0.00 -1.61 -0.14 0.00 1.02 0.00 0.00 30.24 29.51 2avg n GLN 55 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 2avg h HIS 56 N -0.52 0.41 -3.79 1.08 2.07 -1.87 -3.43 115.15 109.11 2avg h HIS 56 Ca -0.53 -0.30 -0.66 0.00 -2.85 0.00 0.00 60.37 56.03 2avg h HIS 56 Cb 1.70 -0.02 -0.38 0.00 2.57 0.00 0.00 27.41 31.29 2avg h HIS 56 CO 0.02 1.53 -0.77 -1.17 -3.07 0.00 0.00 177.93 174.47 2avg s LEU 57 N -6.87 3.76 -0.33 6.12 0.20 -1.24 0.50 118.68 120.83 2avg s LEU 57 Ca -0.15 -1.61 -0.12 0.00 0.69 0.00 0.00 54.13 52.94 2avg s LEU 57 Cb 0.07 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.27 2avg s LEU 57 CO 0.81 -0.25 0.22 -1.10 -0.29 0.00 0.00 176.35 175.73 2avg s GLN 58 N 1.07 3.54 -0.77 1.98 1.11 0.99 0.17 119.66 127.75 2avg s GLN 58 Ca -0.03 -0.61 -0.17 0.00 0.01 0.00 0.00 55.36 54.56 2avg s GLN 58 Cb -0.20 -3.74 0.15 0.00 -1.01 0.00 0.00 33.01 28.22 2avg s GLN 58 CO -0.06 -0.40 0.84 -1.17 0.01 0.00 0.00 175.29 174.51 2avg s LEU 59 N 1.71 5.79 0.58 2.90 0.20 -1.26 0.20 118.68 128.80 2avg s LEU 59 Ca 0.06 -2.05 -0.08 0.00 0.69 0.00 0.00 54.13 52.76 2avg s LEU 59 Cb -0.17 -2.30 -0.01 0.00 -0.43 0.00 0.00 46.19 43.28 2avg s LEU 59 CO 0.10 -0.91 0.93 -1.00 -0.29 0.00 0.00 176.35 175.17 2avg s HIS 60 N 1.80 3.42 -0.11 5.38 3.76 0.13 -4.88 115.29 124.80 2avg s HIS 60 Ca 0.19 0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 55.95 2avg s HIS 60 Cb -0.14 -2.67 0.05 0.00 1.11 0.00 0.00 32.58 30.93 2avg s HIS 60 CO -0.03 -0.70 0.08 0.16 -0.85 0.00 0.00 174.74 173.39 2avg s ASP 61 N -4.23 1.75 0.05 1.40 -4.77 -1.26 -0.86 116.67 108.76 2avg s ASP 61 Ca 0.53 -0.27 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 2avg s ASP 61 Cb -0.11 -0.18 -0.04 0.00 -1.09 0.00 0.00 42.92 41.51 2avg s ASP 61 CO 0.48 -0.30 0.17 -0.44 0.70 0.00 0.00 175.17 175.78 2avg s SER 62 N 2.16 6.13 -0.30 2.11 0.01 0.31 -4.93 113.70 119.19 2avg s SER 62 Ca 0.03 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.47 2avg s SER 62 Cb -0.14 -1.84 0.11 0.00 0.21 0.00 0.00 66.02 64.37 2avg s SER 62 CO -0.06 0.19 0.17 -0.47 0.41 0.00 0.00 173.24 173.47 2avg s TYR 63 N -1.44 0.23 -0.38 2.43 5.04 -1.26 -1.12 117.35 120.84 2avg s TYR 63 Ca 0.32 -0.85 -0.02 0.00 -2.44 0.00 0.00 57.07 54.08 2avg s TYR 63 Cb -0.13 -0.82 0.10 0.00 0.35 0.00 0.00 41.96 41.46 2avg s TYR 63 CO 0.25 -0.85 0.15 -0.51 -1.34 0.00 0.00 175.55 173.25 2avg s ASP 64 N 2.01 5.12 0.25 4.32 1.01 -0.52 -4.93 116.67 123.94 2avg s ASP 64 Ca 0.10 -1.92 0.11 0.00 0.71 0.00 0.00 52.55 51.55 2avg s ASP 64 Cb -0.16 -1.78 0.28 0.00 1.01 0.00 0.00 42.92 42.26 2avg s ASP 64 CO -0.31 -0.47 1.56 -0.09 0.21 0.00 0.00 175.17 176.07 2avg h ARG 65 N 7.97 0.00 -0.09 8.23 1.12 -1.94 0.57 114.38 130.24 2avg h ARG 65 Ca -0.13 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.73 2avg h ARG 65 Cb 1.05 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.00 2avg h ARG 65 CO 0.64 0.66 0.02 0.00 -3.11 0.00 0.00 179.97 178.19 2avg h ALA 66 N 1.34 1.86 0.00 2.80 0.00 -1.95 -1.20 119.26 122.11 2avg h ALA 66 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2avg h ALA 66 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2avg h ALA 66 CO 0.09 0.11 -1.21 0.45 0.00 0.00 0.00 179.25 178.68 2avg n SER 67 N -4.48 0.84 -2.74 0.00 2.88 -1.11 -4.99 113.62 104.02 2avg n SER 67 Ca -0.02 -0.57 -0.19 0.00 -1.33 0.00 0.00 58.87 56.77 2avg n SER 67 Cb 0.12 1.32 0.04 0.00 -0.75 0.00 0.00 64.21 64.94 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 -1.69 -5.02 -4.54 -1.46 4.81 0.18 -4.94 118.16 105.49 2avg n LYS 68 Ca 0.01 0.74 -0.26 0.00 -0.87 0.00 0.00 58.31 57.93 2avg n LYS 68 Cb 0.35 -5.32 -0.17 0.00 0.02 0.00 0.00 35.03 29.91 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 -3.14 1.27 -0.37 3.15 1.01 0.01 -0.19 120.40 122.14 2avg s VAL 69 Ca 0.34 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2avg s VAL 69 Cb -0.15 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2avg s VAL 69 CO 0.42 0.39 0.34 -0.31 0.00 0.00 0.00 175.10 175.94 2avg s TYR 70 N 0.80 3.21 -0.46 5.22 1.51 0.13 -1.43 117.35 126.33 2avg s TYR 70 Ca -0.11 -0.23 -0.16 0.00 -1.01 0.00 0.00 57.07 55.55 2avg s TYR 70 Cb -0.15 -2.66 0.06 0.00 -0.11 0.00 0.00 41.96 39.09 2avg s TYR 70 CO 0.02 -0.50 0.41 -1.17 -1.11 0.00 0.00 175.55 173.20 2avg s LEU 71 N 1.92 5.40 -0.39 -1.29 2.96 -0.28 -0.87 118.68 126.14 2avg s LEU 71 Ca 0.09 -1.16 -0.26 0.00 -0.22 0.00 0.00 54.13 52.59 2avg s LEU 71 Cb -0.17 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.31 2avg s LEU 71 CO 0.12 -0.64 0.92 -0.36 -1.32 0.00 0.00 176.35 175.06 2avg s PHE 72 N 1.81 3.04 -0.26 5.38 0.40 0.46 0.11 117.98 128.92 2avg s PHE 72 Ca 0.06 0.67 -0.05 0.00 -0.60 0.00 0.00 56.93 57.01 2avg s PHE 72 Cb -0.22 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.60 2avg s PHE 72 CO 0.08 -0.89 0.03 -1.21 0.70 0.00 0.00 175.22 173.94 2avg s GLU 73 N 3.52 3.20 -0.16 0.44 2.02 -0.04 0.00 118.70 127.69 2avg s GLU 73 Ca 0.38 -0.77 -0.28 0.00 0.02 0.00 0.00 54.97 54.32 2avg s GLU 73 Cb -0.12 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 2avg s GLU 73 CO 0.20 -0.34 0.93 -0.51 0.02 0.00 0.00 175.26 175.57 2avg s LEU 74 N 1.48 4.19 -0.57 1.80 1.43 0.16 0.21 118.68 127.39 2avg s LEU 74 Ca 0.04 1.34 -0.04 0.00 -1.03 0.00 0.00 54.13 54.44 2avg s LEU 74 Cb -0.16 -3.41 0.15 0.00 0.03 0.00 0.00 46.19 42.80 2avg s LEU 74 CO 0.00 -0.47 0.39 -1.00 0.23 0.00 0.00 176.35 175.50 2avg s HIS 75 N 2.29 3.47 -0.36 0.29 3.76 0.13 -3.00 115.29 121.88 2avg s HIS 75 Ca 0.43 -2.55 0.02 0.00 -0.15 0.00 0.00 55.06 52.82 2avg s HIS 75 Cb -0.17 -3.25 0.10 0.00 1.11 0.00 0.00 32.58 30.37 2avg s HIS 75 CO 0.13 -0.89 0.09 0.42 -0.85 0.00 0.00 174.74 173.64 2avg s ILE 76 N 0.36 2.52 0.36 0.60 1.01 -0.67 -0.00 121.20 125.37 2avg s ILE 76 Ca 0.14 -2.29 0.07 0.00 0.00 0.00 0.00 60.65 58.58 2avg s ILE 76 Cb -0.21 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 2avg s ILE 76 CO -0.04 -0.62 0.42 0.42 0.00 0.00 0.00 174.94 175.12 2avg s THR 77 N 0.95 3.56 -0.93 2.92 -4.23 0.18 0.47 115.64 118.57 2avg s THR 77 Ca 0.10 -1.16 -0.09 0.00 -1.18 0.00 0.00 61.69 59.36 2avg s THR 77 Cb -0.20 -3.22 0.01 0.00 1.34 0.00 0.00 72.50 70.43 2avg s THR 77 CO -0.07 -0.12 0.63 0.47 -0.54 0.00 0.00 174.62 174.99 2avg n ASP 78 N -1.58 -4.75 -4.66 3.99 8.00 0.94 -4.70 116.55 113.79 2avg n ASP 78 Ca 0.01 -1.03 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 2avg n ASP 78 Cb 0.59 -1.78 -0.03 0.00 -0.02 0.00 0.00 41.12 39.88 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 -3.13 3.59 0.34 2.24 0.00 -1.26 -4.59 121.76 118.95 2avg s ALA 79 Ca 0.13 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 2avg s ALA 79 Cb -0.07 -3.82 -0.12 0.00 0.00 0.00 0.00 23.12 19.11 2avg s ALA 79 CO 0.91 -1.52 1.24 0.94 0.00 0.00 0.00 175.76 177.33 2avg n GLN 80 N 7.42 2.00 0.01 0.00 -0.06 -1.26 -4.02 117.38 121.46 2avg n GLN 80 Ca 0.19 0.70 0.03 0.00 -2.00 0.00 0.00 57.00 55.92 2avg n GLN 80 Cb 0.42 -2.26 0.12 0.00 -4.06 0.00 0.00 30.24 24.45 2avg n GLN 80 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2avg n PRO 81 N 0.54 0.01 -0.39 3.69 -0.02 -1.26 -0.19 135.00 137.37 2avg n PRO 81 Ca 0.06 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 2avg n PRO 81 Cb 0.36 -1.52 0.31 0.00 -0.02 0.00 0.00 33.50 32.63 2avg n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2avg n ALA 82 N -1.51 2.50 0.92 3.55 0.00 -1.26 -4.10 120.51 120.60 2avg n ALA 82 Ca 0.01 -1.27 0.11 0.00 0.00 0.00 0.00 53.44 52.29 2avg n ALA 82 Cb 0.05 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.58 2avg n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2avg n PHE 83 N 1.47 0.04 -1.49 0.00 3.72 0.73 -4.75 117.46 117.17 2avg n PHE 83 Ca 0.24 0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 57.23 2avg n PHE 83 Cb 0.63 -0.16 -0.11 0.00 -0.94 0.00 0.00 39.48 38.90 2avg n PHE 83 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2avg n THR 84 N -1.58 -0.01 0.00 4.37 -1.04 -1.25 -3.64 114.28 111.13 2avg n THR 84 Ca 0.04 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2avg n THR 84 Cb 0.35 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 6.43 1.24 3.41 3.41 0.00 0.66 -4.01 105.19 116.33 2avg n GLY 85 Ca 0.56 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.80 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 0.00 -0.56 -0.22 -0.02 0.00 -1.23 -0.08 107.32 105.22 2avg s GLY 86 Ca 0.00 1.86 -0.27 0.00 0.00 0.00 0.00 44.72 46.32 2avg s GLY 86 CO 0.00 2.76 0.91 -0.19 0.00 0.00 0.00 173.10 176.58 2avg s TYR 87 N 2.75 3.35 -0.38 1.90 1.51 -0.12 -3.17 117.35 123.18 2avg s TYR 87 Ca -0.02 1.30 -0.05 0.00 -1.01 0.00 0.00 57.07 57.29 2avg s TYR 87 Cb -0.12 -3.13 0.08 0.00 -0.11 0.00 0.00 41.96 38.68 2avg s TYR 87 CO -0.16 -0.39 0.17 0.50 -1.11 0.00 0.00 175.55 174.56 2avg s ARG 88 N 2.80 2.35 -0.12 -0.62 3.52 0.76 -2.46 118.95 125.17 2avg s ARG 88 Ca 0.39 -1.53 -0.18 0.00 -0.13 0.00 0.00 55.73 54.28 2avg s ARG 88 Cb -0.16 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 2avg s ARG 88 CO 0.08 -0.91 0.46 0.00 -0.81 0.00 0.00 175.30 174.13 2avg s GLU 90 N 0.64 0.11 -0.05 0.00 2.12 0.20 -0.38 118.70 121.33 2avg s GLU 90 Ca 0.25 -0.22 -0.13 0.00 0.36 0.00 0.00 54.97 55.23 2avg s GLU 90 Cb -0.15 -1.59 -0.05 0.00 0.26 0.00 0.00 34.13 32.60 2avg s GLU 90 CO 0.10 -0.79 0.34 0.54 -0.54 0.00 0.00 175.26 174.91 2avg s VAL 91 N 2.13 5.18 -0.21 3.70 0.11 -0.95 -1.43 120.40 128.93 2avg s VAL 91 Ca 0.04 0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 59.74 2avg s VAL 91 Cb -0.16 -3.64 0.06 0.00 -1.53 0.00 0.00 36.38 31.11 2avg s VAL 91 CO -0.18 0.55 0.03 -0.55 -3.33 0.00 0.00 175.10 171.62 2avg s SER 92 N -0.75 3.15 0.33 3.54 0.15 0.20 -3.15 113.70 117.17 2avg s SER 92 Ca 0.21 -0.95 0.04 0.00 0.70 0.00 0.00 55.95 55.95 2avg s SER 92 Cb -0.15 -0.69 -0.07 0.00 -1.71 0.00 0.00 66.02 63.40 2avg s SER 92 CO 0.10 -0.31 0.05 -0.89 1.20 0.00 0.00 173.24 173.39 2avg s THR 93 N 1.78 1.27 0.00 6.45 2.01 -0.88 -1.60 115.64 124.67 2avg s THR 93 Ca -0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 2avg s THR 93 Cb -0.17 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2avg s THR 93 CO -0.10 0.00 0.00 2.29 -0.69 0.00 0.00 174.62 176.12 2avg n LYS 94 N -0.72 0.00 0.00 4.92 -0.00 -1.25 -1.97 118.16 119.13 2avg n LYS 94 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2avg n LYS 94 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.70 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 -4.67 -5.58 -0.08 -1.26 -4.97 116.55 99.99 2avg n ASP 95 Ca 0.00 -0.10 -0.40 0.00 -1.51 0.00 0.00 54.79 52.77 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 4.26 -0.02 -0.67 -0.14 -0.83 -2.85 119.74 119.49 2avg s LYS 96 Ca 0.00 0.76 0.03 0.00 -1.36 0.00 0.00 55.97 55.40 2avg s LYS 96 Cb 0.00 -3.56 -0.00 0.00 -1.68 0.00 0.00 37.83 32.59 2avg s LYS 96 CO 0.00 -0.23 -0.11 0.12 -0.76 0.00 0.00 175.35 174.36 2avg s PHE 97 N 1.86 1.12 0.11 3.18 2.19 -1.26 -2.08 117.98 123.10 2avg s PHE 97 Ca 0.32 -0.26 -0.25 0.00 0.33 0.00 0.00 56.93 57.07 2avg s PHE 97 Cb -0.16 -0.76 0.08 0.00 -1.31 0.00 0.00 43.02 40.86 2avg s PHE 97 CO 0.12 -0.08 0.74 0.34 1.83 0.00 0.00 175.22 178.17 2avg s ASP 98 N -0.02 -0.43 -0.10 6.13 -1.08 -1.19 -5.06 116.67 114.92 2avg s ASP 98 Ca -0.00 -0.10 -0.19 0.00 -0.52 0.00 0.00 52.55 51.74 2avg s ASP 98 Cb -0.07 0.53 0.04 0.00 -1.46 0.00 0.00 42.92 41.96 2avg s ASP 98 CO 0.00 -0.88 0.47 0.00 0.52 0.00 0.00 175.17 175.28 2avg s SER 100 N -0.56 2.06 -0.20 0.00 1.04 0.49 -5.00 113.70 111.52 2avg s SER 100 Ca -0.07 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 2avg s SER 100 Cb -0.03 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 2avg s SER 100 CO 0.04 0.20 0.03 0.54 0.98 0.00 0.00 173.24 175.03 2avg s ASN 101 N -0.32 5.08 -0.09 7.02 6.03 -1.26 -2.00 114.94 129.39 2avg s ASN 101 Ca 0.05 -0.13 -0.03 0.00 -1.03 0.00 0.00 52.86 51.71 2avg s ASN 101 Cb -0.08 -1.87 0.04 0.00 -3.03 0.00 0.00 41.25 36.31 2avg s ASN 101 CO -0.00 0.08 0.07 0.72 -2.03 0.00 0.00 177.10 175.94 2avg s PHE 102 N 0.94 0.10 0.18 1.54 -0.71 -1.03 -4.81 117.98 114.20 2avg s PHE 102 Ca 0.02 0.05 -0.04 0.00 -1.04 0.00 0.00 56.93 55.92 2avg s PHE 102 Cb -0.14 -0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 41.06 2avg s PHE 102 CO 0.02 -0.31 0.41 -0.80 -1.34 0.00 0.00 175.22 173.20 2avg s ASN 103 N 2.16 6.47 -0.14 1.98 0.01 -1.26 -0.95 114.94 123.21 2avg s ASN 103 Ca 0.04 0.58 0.01 0.00 -0.71 0.00 0.00 52.86 52.77 2avg s ASN 103 Cb -0.14 -2.09 0.02 0.00 0.41 0.00 0.00 41.25 39.46 2avg s ASN 103 CO -0.05 -0.01 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.15 2avg s LEU 104 N -2.94 1.76 -0.61 0.60 2.96 0.89 -1.25 118.68 120.09 2avg s LEU 104 Ca 0.41 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 2avg s LEU 104 Cb -0.12 -1.21 0.16 0.00 0.50 0.00 0.00 46.19 45.52 2avg s LEU 104 CO 0.26 -0.03 0.53 -0.89 -1.32 0.00 0.00 176.35 174.90 2avg s THR 105 N 1.34 4.88 -0.29 3.68 2.01 0.77 -0.24 115.64 127.78 2avg s THR 105 Ca 0.02 -2.03 -0.29 0.00 0.31 0.00 0.00 61.69 59.70 2avg s THR 105 Cb -0.13 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2avg s THR 105 CO -0.09 -0.89 1.20 0.54 -0.69 0.00 0.00 174.62 174.69 2avg s VAL 106 N 0.93 4.32 -0.62 3.82 0.11 -1.25 -0.96 120.40 126.74 2avg s VAL 106 Ca 0.10 1.52 -0.23 0.00 -2.93 0.00 0.00 61.98 60.43 2avg s VAL 106 Cb -0.22 -4.26 0.06 0.00 -1.53 0.00 0.00 36.38 30.43 2avg s VAL 106 CO -0.02 -0.44 0.95 -1.00 -3.33 0.00 0.00 175.10 171.26 2avg s HIS 107 N 3.95 2.71 0.11 1.54 3.76 0.47 -4.77 115.29 123.07 2avg s HIS 107 Ca 0.51 -0.37 -0.33 0.00 -0.15 0.00 0.00 55.06 54.73 2avg s HIS 107 Cb -0.15 -4.20 -0.12 0.00 1.11 0.00 0.00 32.58 29.22 2avg s HIS 107 CO 0.19 -1.55 1.57 1.49 -0.85 0.00 0.00 174.74 175.59 2avg h GLU 108 N 9.48 -0.68 -1.96 1.40 4.81 -1.90 -1.76 114.58 123.98 2avg h GLU 108 Ca -0.28 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2avg h GLU 108 Cb 1.07 0.15 -0.22 0.00 0.63 0.00 0.00 28.75 30.39 2avg h GLU 108 CO 1.15 -0.45 0.11 0.00 -0.73 0.00 0.00 179.01 179.08 2avg s ALA 109 N -5.85 -1.85 0.00 2.92 0.00 -1.26 -4.50 121.76 111.21 2avg s ALA 109 Ca -0.16 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.00 2avg s ALA 109 Cb 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2avg s ALA 109 CO 0.62 -0.35 0.00 -0.12 0.00 0.00 0.00 175.76 175.91