#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 0.27 -0.70 1.67 2.15 -1.26 -4.96 116.67 113.84 2avg s ASP 2 Ca 0.00 -0.44 -0.27 0.00 0.43 0.00 0.00 52.55 52.27 2avg s ASP 2 Cb 0.00 0.08 -0.14 0.00 -0.30 0.00 0.00 42.92 42.56 2avg s ASP 2 CO 0.00 -0.25 2.51 -2.65 -0.17 0.00 0.00 175.17 174.61 2avg n PRO 3 N 1.78 0.61 0.08 4.34 -0.02 -1.26 -4.64 135.00 135.89 2avg n PRO 3 Ca -0.22 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 2avg n PRO 3 Cb 0.56 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2avg n PRO 3 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2avg n ILE 4 N 7.79 0.93 -1.24 4.25 -0.00 -1.26 -4.85 119.36 124.98 2avg n ILE 4 Ca 0.49 0.31 0.00 0.00 -0.00 0.00 0.00 62.75 63.54 2avg n ILE 4 Cb 0.34 -1.31 0.00 0.00 -0.00 0.00 0.00 39.64 38.67 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 3.00 0.49 0.31 7.39 0.00 -1.26 -4.93 105.19 110.19 2avg n GLY 5 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 0.93 -7.83 0.99 5.85 -1.94 -3.23 115.31 110.08 2avg h LEU 6 Ca 0.00 -0.02 -0.72 0.00 0.84 0.00 0.00 57.88 57.98 2avg h LEU 6 Cb 0.61 -0.23 -0.18 0.00 0.37 0.00 0.00 40.66 41.23 2avg h LEU 6 CO 0.00 0.67 1.06 0.12 -0.34 0.00 0.00 178.44 179.95 2avg s PHE 7 N -6.13 3.38 -0.01 1.25 5.36 -1.26 -1.89 117.98 118.67 2avg s PHE 7 Ca -0.13 -1.84 -0.24 0.00 -0.96 0.00 0.00 56.93 53.77 2avg s PHE 7 Cb 0.16 -4.27 -0.20 0.00 -0.34 0.00 0.00 43.02 38.38 2avg s PHE 7 CO 0.79 -1.41 1.20 0.28 -1.46 0.00 0.00 175.22 174.63 2avg h VAL 8 N 5.13 1.44 -3.52 3.12 2.07 -1.10 -3.45 116.25 119.93 2avg h VAL 8 Ca 0.24 -1.48 -0.36 0.00 0.82 0.00 0.00 66.70 65.91 2avg h VAL 8 Cb 0.94 2.30 -0.33 0.00 -1.52 0.00 0.00 31.29 32.68 2avg h VAL 8 CO 1.16 0.41 -0.75 -0.04 0.02 0.00 0.00 177.57 178.36 2avg s MET 9 N -3.85 0.47 -0.16 1.57 -1.94 -0.67 -4.91 119.30 109.81 2avg s MET 9 Ca -0.15 -0.01 -0.16 0.00 -1.71 0.00 0.00 55.69 53.66 2avg s MET 9 Cb 0.02 -0.58 -0.04 0.00 2.01 0.00 0.00 34.83 36.25 2avg s MET 9 CO 0.72 -0.09 0.41 1.03 -0.01 0.00 0.00 175.02 177.07 2avg s ARG 10 N 0.86 4.26 0.43 2.03 0.52 -1.26 -1.68 118.95 124.10 2avg s ARG 10 Ca -0.10 0.27 -0.22 0.00 -0.52 0.00 0.00 55.73 55.17 2avg s ARG 10 Cb -0.13 -3.47 -0.10 0.00 0.52 0.00 0.00 34.95 31.77 2avg s ARG 10 CO -0.01 0.10 1.00 -1.25 0.02 0.00 0.00 175.30 175.15 2avg s PRO 11 N 0.87 4.13 0.55 3.54 0.04 -1.20 -4.91 135.00 138.01 2avg s PRO 11 Ca 0.21 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2avg s PRO 11 Cb -0.14 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.12 2avg s PRO 11 CO 0.08 -0.14 0.29 -0.65 0.04 0.00 0.00 177.00 176.62 2avg s GLN 12 N -2.92 2.23 0.00 4.56 -1.52 -1.26 -4.61 119.66 116.15 2avg s GLN 12 Ca 0.61 -2.17 0.00 0.00 -1.95 0.00 0.00 55.36 51.85 2avg s GLN 12 Cb -0.15 -1.91 0.00 0.00 -0.22 0.00 0.00 33.01 30.73 2avg s GLN 12 CO 0.19 -0.59 0.00 -0.25 -0.25 0.00 0.00 175.29 174.40 2avg n ASP 13 N -1.65 0.00 0.00 5.90 9.92 -1.26 -4.60 116.55 124.86 2avg n ASP 13 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 2avg n ASP 13 Cb 0.65 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 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 2.43 3.62 3.24 0.44 0.00 -0.19 -4.83 105.19 109.91 2avg n GLY 14 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 2.79 0.20 1.61 8.01 -1.26 -0.62 118.70 127.43 2avg s GLU 15 Ca 0.00 -1.03 0.02 0.00 0.01 0.00 0.00 54.97 53.98 2avg s GLU 15 Cb 0.00 -3.18 -0.05 0.00 -4.31 0.00 0.00 34.13 26.59 2avg s GLU 15 CO 0.00 -0.49 0.00 0.14 0.01 0.00 0.00 175.26 174.93 2avg s VAL 16 N 1.36 0.79 0.28 2.63 -7.23 -0.06 -4.92 120.40 113.26 2avg s VAL 16 Ca -0.01 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2avg s VAL 16 Cb -0.18 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2avg s VAL 16 CO -0.01 -0.40 0.50 -0.89 -0.31 0.00 0.00 175.10 173.99 2avg s THR 17 N -3.58 5.12 -0.38 5.32 2.01 -1.26 0.95 115.64 123.82 2avg s THR 17 Ca 0.26 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.68 2avg s THR 17 Cb 0.06 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2avg s THR 17 CO 0.06 -0.37 1.85 -0.69 -0.69 0.00 0.00 174.62 174.78 2avg s VAL 18 N -2.11 3.42 0.00 3.82 1.01 -0.38 -1.93 120.40 124.24 2avg s VAL 18 Ca 0.40 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2avg s VAL 18 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2avg s VAL 18 CO 0.32 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2avg n GLY 19 N 5.50 1.07 0.00 4.51 0.00 -1.25 -4.98 105.19 110.04 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 0.53 3.49 -0.02 0.00 -0.81 -4.65 105.19 103.73 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 -0.12 -0.02 1.61 1.04 -1.26 0.84 113.70 114.79 2avg s SER 21 Ca 0.00 -0.73 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 2avg s SER 21 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.67 2avg s SER 21 CO 0.00 -1.03 0.25 -0.51 0.98 0.00 0.00 173.24 172.93 2avg s ILE 22 N -3.94 0.06 -0.05 -1.02 1.10 0.22 -4.83 121.20 112.73 2avg s ILE 22 Ca 0.15 -0.48 -0.02 0.00 -0.51 0.00 0.00 60.65 59.79 2avg s ILE 22 Cb 0.00 -0.53 0.04 0.00 0.15 0.00 0.00 42.46 42.12 2avg s ILE 22 CO 0.01 -0.26 0.11 -0.89 -2.11 0.00 0.00 174.94 171.80 2avg s THR 23 N -1.16 -0.10 0.03 4.00 2.01 -1.26 -1.26 115.64 117.90 2avg s THR 23 Ca -0.12 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2avg s THR 23 Cb -0.06 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 2avg s THR 23 CO 0.03 0.10 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.64 2avg s PHE 24 N 1.47 0.59 -0.07 4.92 0.40 -1.14 -4.89 117.98 119.27 2avg s PHE 24 Ca -0.05 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 2avg s PHE 24 Cb -0.12 -0.36 0.02 0.00 0.51 0.00 0.00 43.02 43.07 2avg s PHE 24 CO -0.05 -0.06 -0.07 -1.12 0.70 0.00 0.00 175.22 174.62 2avg s SER 25 N -1.10 1.55 -0.23 1.36 0.01 -1.26 0.54 113.70 114.57 2avg s SER 25 Ca -0.06 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 2avg s SER 25 Cb -0.07 -0.64 0.02 0.00 0.21 0.00 0.00 66.02 65.54 2avg s SER 25 CO 0.00 -0.07 -0.10 0.00 0.41 0.00 0.00 173.24 173.49 2avg s ALA 26 N 1.18 2.61 -0.19 1.44 0.00 0.14 -3.26 121.76 123.69 2avg s ALA 26 Ca -0.06 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 2avg s ALA 26 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2avg s ALA 26 CO -0.02 -0.71 0.09 1.03 0.00 0.00 0.00 175.76 176.16 2avg s ARG 27 N 1.31 4.03 -0.08 0.00 0.52 -0.68 -0.13 118.95 123.93 2avg s ARG 27 Ca 0.01 -0.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 2avg s ARG 27 Cb -0.16 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.04 2avg s ARG 27 CO -0.06 0.30 -0.12 0.08 0.02 0.00 0.00 175.30 175.51 2avg s VAL 28 N 0.31 1.22 -0.13 3.52 1.01 0.49 -1.05 120.40 125.77 2avg s VAL 28 Ca 0.05 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2avg s VAL 28 Cb -0.12 -1.12 -0.08 0.00 0.00 0.00 0.00 36.38 35.06 2avg s VAL 28 CO -0.01 0.38 2.09 0.00 0.00 0.00 0.00 175.10 177.56 2avg n ALA 29 N 4.03 1.52 -0.29 5.51 0.00 -0.79 0.48 120.51 130.97 2avg n ALA 29 Ca -0.21 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.34 2avg n ALA 29 Cb 0.51 -2.75 0.35 0.00 0.00 0.00 0.00 19.45 17.57 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 12.51 1.33 -1.43 0.00 0.00 0.05 -3.46 103.07 112.07 2avg h GLY 30 Ca -0.44 -0.33 0.17 0.00 0.00 0.00 0.00 47.33 46.74 2avg h GLY 30 CO 0.96 0.09 -0.23 0.00 0.00 0.00 0.00 176.54 177.35 2avg n ALA 31 N -2.41 -1.72 -2.76 3.60 0.00 -1.25 -4.61 120.51 111.37 2avg n ALA 31 Ca 0.18 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 2avg n ALA 31 Cb 0.46 -0.59 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 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 -5.32 5.74 0.19 0.00 1.04 -1.26 -5.07 113.70 109.02 2avg s SER 32 Ca 0.00 -0.65 -0.13 0.00 0.48 0.00 0.00 55.95 55.65 2avg s SER 32 Cb 0.00 -2.05 0.01 0.00 0.10 0.00 0.00 66.02 64.08 2avg s SER 32 CO 0.00 -0.27 0.40 -1.48 0.98 0.00 0.00 173.24 172.87 2avg s LEU 33 N 1.63 0.54 -0.00 2.42 2.34 -1.26 -4.96 118.68 119.38 2avg s LEU 33 Ca 0.04 -0.74 -0.01 0.00 0.06 0.00 0.00 54.13 53.49 2avg s LEU 33 Cb -0.18 1.63 -0.00 0.00 -0.56 0.00 0.00 46.19 47.08 2avg s LEU 33 CO 0.07 -0.99 0.22 0.25 -1.06 0.00 0.00 176.35 174.84 2avg h LEU 34 N 2.37 -0.02 -9.48 1.48 5.85 -1.97 -3.46 115.31 110.08 2avg h LEU 34 Ca -0.30 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.79 2avg h LEU 34 Cb 1.24 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.16 2avg h LEU 34 CO 0.42 0.02 -0.66 -1.59 -0.34 0.00 0.00 178.44 176.29 2avg s LYS 35 N -1.50 2.52 0.66 1.25 0.00 -1.26 -5.09 119.74 116.32 2avg s LYS 35 Ca -0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 55.97 54.89 2avg s LYS 35 Cb 0.00 -2.50 -0.07 0.00 0.00 0.00 0.00 37.83 35.26 2avg s LYS 35 CO 0.01 0.52 0.43 -2.30 0.00 0.00 0.00 175.35 174.01 2avg n PRO 36 N 0.38 0.34 -2.02 1.78 -0.02 -1.26 -4.48 135.00 129.73 2avg n PRO 36 Ca -0.11 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 2avg n PRO 36 Cb 0.53 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.29 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 -2.36 4.27 -0.49 0.52 0.02 -1.26 -4.91 135.00 130.78 2avg s PRO 37 Ca 0.65 2.29 -0.16 0.00 0.02 0.00 0.00 61.00 63.80 2avg s PRO 37 Cb -0.39 -3.12 0.08 0.00 0.02 0.00 0.00 34.50 31.09 2avg s PRO 37 CO 0.58 -0.43 0.45 0.08 -0.33 0.00 0.00 177.00 177.35 2avg s VAL 38 N 0.16 5.18 -0.29 3.83 1.01 -0.79 -4.94 120.40 124.56 2avg s VAL 38 Ca 0.61 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2avg s VAL 38 Cb -0.42 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.78 2avg s VAL 38 CO 0.41 -0.68 0.06 -0.69 0.00 0.00 0.00 175.10 174.20 2avg s VAL 39 N 1.78 3.79 -0.24 2.92 1.01 -1.26 0.22 120.40 128.63 2avg s VAL 39 Ca 0.05 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2avg s VAL 39 Cb -0.25 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2avg s VAL 39 CO 0.07 0.09 0.08 -1.59 0.00 0.00 0.00 175.10 173.74 2avg s LYS 40 N 1.47 3.74 0.35 2.72 0.00 -0.47 -4.96 119.74 122.59 2avg s LYS 40 Ca 0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 55.97 55.43 2avg s LYS 40 Cb -0.17 -3.32 -0.08 0.00 0.00 0.00 0.00 37.83 34.26 2avg s LYS 40 CO 0.01 -0.09 0.72 -1.58 0.00 0.00 0.00 175.35 174.42 2avg s TRP 41 N 1.35 3.42 -0.02 1.78 0.52 -1.26 -1.61 118.94 123.12 2avg s TRP 41 Ca 0.05 1.09 0.01 0.00 0.02 0.00 0.00 56.10 57.27 2avg s TRP 41 Cb -0.15 -2.45 0.01 0.00 -1.15 0.00 0.00 33.47 29.73 2avg s TRP 41 CO 0.04 0.03 -0.03 0.12 0.02 0.00 0.00 176.95 177.14 2avg s PHE 42 N -2.13 0.38 0.47 -1.98 5.36 -0.45 -4.33 117.98 115.31 2avg s PHE 42 Ca 0.52 -0.06 0.08 0.00 -0.96 0.00 0.00 56.93 56.51 2avg s PHE 42 Cb -0.10 -0.34 0.03 0.00 -0.34 0.00 0.00 43.02 42.27 2avg s PHE 42 CO 0.24 -0.07 0.60 0.21 -1.46 0.00 0.00 175.22 174.73 2avg s LYS 43 N 0.42 2.59 0.00 10.12 2.20 0.75 -0.13 119.74 135.69 2avg s LYS 43 Ca -0.04 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.11 2avg s LYS 43 Cb -0.07 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2avg s LYS 43 CO -0.01 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2avg n GLY 44 N -1.92 0.00 0.39 5.54 0.00 -1.24 -3.34 105.19 104.64 2avg n GLY 44 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.02 0.00 1.61 5.02 0.26 -3.20 118.16 121.87 2avg n LYS 45 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2avg n LYS 45 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 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 -2.72 0.00 -2.70 2.13 4.27 -1.26 -4.89 117.44 112.27 2avg n TRP 46 Ca 0.09 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.49 2avg n TRP 46 Cb 1.17 0.02 0.05 0.00 -1.36 0.00 0.00 31.31 31.18 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 2.60 0.26 -1.67 -7.23 -1.19 -4.93 120.40 108.23 2avg s VAL 47 Ca 0.00 -0.72 0.06 0.00 -1.81 0.00 0.00 61.98 59.51 2avg s VAL 47 Cb 0.00 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 2avg s VAL 47 CO 0.00 0.00 0.37 1.51 -0.31 0.00 0.00 175.10 176.67 2avg s ASP 48 N -4.48 6.16 -0.20 4.85 -4.77 -1.26 -0.17 116.67 116.80 2avg s ASP 48 Ca 0.59 -0.02 0.14 0.00 -3.30 0.00 0.00 52.55 49.95 2avg s ASP 48 Cb -0.09 -1.67 -0.23 0.00 -1.09 0.00 0.00 42.92 39.83 2avg s ASP 48 CO 0.39 -0.15 0.04 0.18 0.70 0.00 0.00 175.17 176.32 2avg n LEU 49 N -1.44 0.73 0.27 2.11 4.32 -1.26 -4.30 117.00 117.42 2avg n LEU 49 Ca -0.07 -0.01 0.18 0.00 -0.02 0.00 0.00 56.01 56.09 2avg n LEU 49 Cb 0.57 0.16 0.94 0.00 -1.62 0.00 0.00 43.42 43.47 2avg n LEU 49 CO 0.44 0.60 1.15 -1.28 -1.22 0.00 0.00 177.39 177.08 2avg h SER 50 N 0.00 0.00 0.00 -1.43 0.87 -1.96 0.52 113.55 111.55 2avg h SER 50 Ca -0.54 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.76 2avg h SER 50 Cb 2.16 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 64.07 2avg h SER 50 CO 0.01 0.00 -2.16 -1.20 -0.53 0.00 0.00 176.83 172.94 2avg n SER 51 N -3.58 0.52 0.00 6.23 7.64 -1.26 -4.58 113.62 118.60 2avg n SER 51 Ca -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 2avg n SER 51 Cb 0.20 1.17 -0.11 0.00 -1.01 0.00 0.00 64.21 64.47 2avg n SER 51 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2avg n LYS 52 N -2.55 0.63 -1.53 1.43 5.02 0.13 -4.75 118.16 116.53 2avg n LYS 52 Ca -0.23 0.23 -0.18 0.00 -2.02 0.00 0.00 58.31 56.10 2avg n LYS 52 Cb 0.95 -1.78 -0.14 0.00 -0.02 0.00 0.00 35.03 34.04 2avg n LYS 52 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2avg n VAL 53 N -2.92 -0.00 0.00 -0.18 0.31 0.14 -4.19 118.33 111.48 2avg n VAL 53 Ca -0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2avg n VAL 53 Cb 0.93 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 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 6.18 -0.05 0.08 2.92 0.00 0.46 -4.86 105.19 109.93 2avg n GLY 54 Ca 0.57 0.41 -0.14 0.00 0.00 0.00 0.00 46.02 46.86 2avg n GLY 54 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2avg h GLN 55 N 0.00 0.00 0.10 1.61 4.15 -1.97 -3.37 115.11 115.63 2avg h GLN 55 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.09 2avg h GLN 55 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2avg h GLN 55 CO 0.00 0.68 -1.73 1.12 -1.93 0.00 0.00 178.83 176.97 2avg h HIS 56 N -1.00 0.39 -3.77 3.99 2.07 -1.83 -3.42 115.15 111.58 2avg h HIS 56 Ca -0.15 -0.28 -0.67 0.00 -2.85 0.00 0.00 60.37 56.42 2avg h HIS 56 Cb 0.90 -0.02 -0.36 0.00 2.57 0.00 0.00 27.41 30.51 2avg h HIS 56 CO 0.07 1.45 -0.73 -1.17 -3.07 0.00 0.00 177.93 174.48 2avg s LEU 57 N -6.83 4.03 -0.31 6.12 0.20 -1.24 0.36 118.68 121.01 2avg s LEU 57 Ca -0.13 -1.59 -0.11 0.00 0.69 0.00 0.00 54.13 53.00 2avg s LEU 57 Cb 0.07 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2avg s LEU 57 CO 0.82 -0.28 0.18 -1.10 -0.29 0.00 0.00 176.35 175.68 2avg s GLN 58 N 1.10 3.49 -0.79 1.98 1.11 1.00 0.17 119.66 127.72 2avg s GLN 58 Ca -0.02 -0.62 -0.17 0.00 0.01 0.00 0.00 55.36 54.56 2avg s GLN 58 Cb -0.20 -3.64 0.16 0.00 -1.01 0.00 0.00 33.01 28.31 2avg s GLN 58 CO -0.04 -0.38 0.87 -1.17 0.01 0.00 0.00 175.29 174.57 2avg s LEU 59 N 1.67 5.80 0.52 2.90 0.20 -1.26 0.69 118.68 129.21 2avg s LEU 59 Ca 0.06 -2.11 -0.05 0.00 0.69 0.00 0.00 54.13 52.72 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 0.08 -0.89 0.82 -1.00 -0.29 0.00 0.00 176.35 175.07 2avg s HIS 60 N 1.73 3.39 -0.10 5.38 3.76 0.13 -4.87 115.29 124.71 2avg s HIS 60 Ca 0.21 0.67 -0.01 0.00 -0.15 0.00 0.00 55.06 55.77 2avg s HIS 60 Cb -0.13 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.11 2avg s HIS 60 CO -0.05 -0.51 -0.03 0.16 -0.85 0.00 0.00 174.74 173.46 2avg s ASP 61 N -4.20 1.98 0.05 1.40 -4.77 -1.25 -0.29 116.67 109.59 2avg s ASP 61 Ca 0.50 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 49.50 2avg s ASP 61 Cb -0.10 -0.62 -0.04 0.00 -1.09 0.00 0.00 42.92 41.06 2avg s ASP 61 CO 0.44 -0.18 0.18 -0.44 0.70 0.00 0.00 175.17 175.88 2avg s SER 62 N 1.85 6.20 -0.31 2.11 0.01 0.37 -4.93 113.70 119.00 2avg s SER 62 Ca 0.04 0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 2avg s SER 62 Cb -0.13 -1.87 0.12 0.00 0.21 0.00 0.00 66.02 64.35 2avg s SER 62 CO -0.07 0.18 0.19 -0.47 0.41 0.00 0.00 173.24 173.49 2avg s TYR 63 N -1.46 0.25 -0.39 2.43 5.04 -1.26 -0.89 117.35 121.08 2avg s TYR 63 Ca 0.33 -0.94 -0.02 0.00 -2.44 0.00 0.00 57.07 54.00 2avg s TYR 63 Cb -0.13 -0.80 0.10 0.00 0.35 0.00 0.00 41.96 41.48 2avg s TYR 63 CO 0.26 -0.85 0.16 0.16 -1.34 0.00 0.00 175.55 173.93 2avg s ASP 64 N 1.86 5.17 0.15 4.32 -4.77 -0.01 -4.94 116.67 118.45 2avg s ASP 64 Ca 0.12 -1.91 0.08 0.00 -3.30 0.00 0.00 52.55 47.53 2avg s ASP 64 Cb -0.17 -1.80 -0.12 0.00 -1.09 0.00 0.00 42.92 39.74 2avg s ASP 64 CO -0.25 -0.49 1.33 -0.09 0.70 0.00 0.00 175.17 176.37 2avg h ARG 65 N 8.01 0.00 0.00 2.11 1.12 -1.94 0.55 114.38 124.23 2avg h ARG 65 Ca -0.14 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.73 2avg h ARG 65 Cb 1.05 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.01 2avg h ARG 65 CO 0.66 0.92 -0.02 0.00 -3.11 0.00 0.00 179.97 178.43 2avg h ALA 66 N 1.08 1.10 0.00 2.80 0.00 -1.94 -0.72 119.26 121.57 2avg h ALA 66 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2avg h ALA 66 Cb 1.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2avg h ALA 66 CO 0.12 0.02 -0.65 0.43 0.00 0.00 0.00 179.25 179.17 2avg n SER 67 N -3.25 0.90 -1.78 0.00 7.64 -1.03 -5.00 113.62 111.10 2avg n SER 67 Ca -0.02 -0.58 -0.14 0.00 1.01 0.00 0.00 58.87 59.14 2avg n SER 67 Cb 0.14 1.09 0.01 0.00 -1.01 0.00 0.00 64.21 64.44 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 -1.35 -2.09 -4.74 1.43 3.00 0.16 -4.94 118.16 109.63 2avg n LYS 68 Ca 0.01 0.63 -0.25 0.00 -0.00 0.00 0.00 58.31 58.70 2avg n LYS 68 Cb 0.17 -4.86 -0.16 0.00 0.00 0.00 0.00 35.03 30.19 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 -2.81 1.29 -0.32 3.15 1.01 0.52 0.77 120.40 124.02 2avg s VAL 69 Ca 0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 2avg s VAL 69 Cb -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2avg s VAL 69 CO 0.12 0.38 0.12 -0.31 0.00 0.00 0.00 175.10 175.40 2avg s TYR 70 N 0.05 3.20 -0.46 5.22 2.02 0.18 -0.83 117.35 126.72 2avg s TYR 70 Ca -0.03 -1.04 -0.18 0.00 -0.37 0.00 0.00 57.07 55.45 2avg s TYR 70 Cb -0.11 -2.31 0.04 0.00 -0.40 0.00 0.00 41.96 39.19 2avg s TYR 70 CO 0.02 -0.61 0.54 -1.17 -1.57 0.00 0.00 175.55 172.75 2avg s LEU 71 N 1.50 4.93 -0.40 -1.29 2.96 -0.06 -0.38 118.68 125.94 2avg s LEU 71 Ca 0.02 -0.79 -0.23 0.00 -0.22 0.00 0.00 54.13 52.90 2avg s LEU 71 Cb -0.18 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.08 2avg s LEU 71 CO 0.04 -0.74 0.79 -0.36 -1.32 0.00 0.00 176.35 174.75 2avg s PHE 72 N 2.39 3.06 -0.22 5.38 0.40 0.82 0.14 117.98 129.94 2avg s PHE 72 Ca 0.14 0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.84 2avg s PHE 72 Cb -0.18 -3.52 -0.01 0.00 0.51 0.00 0.00 43.02 39.82 2avg s PHE 72 CO 0.13 -0.84 -0.04 -1.83 0.70 0.00 0.00 175.22 173.34 2avg s GLU 73 N 3.19 3.39 -0.03 0.44 -1.05 0.60 0.28 118.70 125.53 2avg s GLU 73 Ca 0.31 -0.62 -0.28 0.00 -0.15 0.00 0.00 54.97 54.23 2avg s GLU 73 Cb -0.13 -3.02 -0.03 0.00 -0.44 0.00 0.00 34.13 30.52 2avg s GLU 73 CO 0.19 -0.19 0.91 -0.51 0.95 0.00 0.00 175.26 176.61 2avg s LEU 74 N 1.47 4.34 -0.45 1.83 1.43 0.19 0.18 118.68 127.67 2avg s LEU 74 Ca 0.06 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2avg s LEU 74 Cb -0.14 -3.44 0.12 0.00 0.03 0.00 0.00 46.19 42.76 2avg s LEU 74 CO -0.03 -0.24 0.22 -1.00 0.23 0.00 0.00 176.35 175.53 2avg s HIS 75 N 1.08 3.54 -0.34 0.29 3.76 0.22 -2.89 115.29 120.94 2avg s HIS 75 Ca 0.48 -2.75 0.04 0.00 -0.15 0.00 0.00 55.06 52.67 2avg s HIS 75 Cb -0.20 -3.08 0.10 0.00 1.11 0.00 0.00 32.58 30.51 2avg s HIS 75 CO 0.24 -0.91 0.06 0.42 -0.85 0.00 0.00 174.74 173.70 2avg s ILE 76 N 0.61 2.19 0.03 0.60 1.01 -0.39 -0.00 121.20 125.25 2avg s ILE 76 Ca 0.12 -2.30 0.02 0.00 0.00 0.00 0.00 60.65 58.49 2avg s ILE 76 Cb -0.22 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2avg s ILE 76 CO -0.04 -0.61 0.04 0.42 0.00 0.00 0.00 174.94 174.75 2avg s THR 77 N 0.93 4.38 -0.30 2.92 -4.23 0.16 0.71 115.64 120.20 2avg s THR 77 Ca 0.11 -0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 59.90 2avg s THR 77 Cb -0.19 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.64 2avg s THR 77 CO -0.09 0.28 0.33 -0.67 -0.54 0.00 0.00 174.62 173.93 2avg n ASP 78 N 1.02 -6.56 -4.59 3.99 2.03 0.25 -4.56 116.55 108.13 2avg n ASP 78 Ca -0.12 0.60 -0.43 0.00 0.52 0.00 0.00 54.79 55.35 2avg n ASP 78 Cb 0.52 -4.34 -0.03 0.00 -0.72 0.00 0.00 41.12 36.56 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2avg s ALA 79 N -1.96 3.17 0.30 -1.67 0.00 -1.26 -4.87 121.76 115.47 2avg s ALA 79 Ca 0.14 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 2avg s ALA 79 Cb -0.04 -3.84 -0.13 0.00 0.00 0.00 0.00 23.12 19.11 2avg s ALA 79 CO 0.59 -2.23 1.17 0.94 0.00 0.00 0.00 175.76 176.24 2avg n GLN 80 N 7.70 1.73 0.00 0.00 -0.06 -1.26 -3.89 117.38 121.60 2avg n GLN 80 Ca 0.10 0.61 0.03 0.00 -2.00 0.00 0.00 57.00 55.74 2avg n GLN 80 Cb 0.49 -2.10 0.15 0.00 -4.06 0.00 0.00 30.24 24.72 2avg n GLN 80 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2avg n PRO 81 N 0.85 0.12 -0.30 3.69 -0.04 -1.26 -0.63 135.00 137.42 2avg n PRO 81 Ca 0.08 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 2avg n PRO 81 Cb 0.33 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.17 2.57 -0.02 0.55 0.00 -1.26 -4.46 120.51 116.72 2avg n ALA 82 Ca 0.03 -1.70 -0.08 0.00 0.00 0.00 0.00 53.44 51.70 2avg n ALA 82 Cb 0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 0.02 1.00 -0.12 0.00 3.72 0.20 -4.54 117.46 117.74 2avg n PHE 83 Ca 0.16 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 2avg n PHE 83 Cb 0.65 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 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 -3.03 0.00 -1.70 4.37 -1.04 -1.24 0.90 114.28 112.54 2avg n THR 84 Ca -0.16 0.00 -0.59 0.00 -2.04 0.00 0.00 64.05 61.26 2avg n THR 84 Cb 1.03 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.47 2avg n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avg n GLY 85 N 0.00 0.64 2.42 3.41 0.00 0.41 -2.74 105.19 109.34 2avg n GLY 85 Ca 0.00 0.91 -0.27 0.00 0.00 0.00 0.00 46.02 46.66 2avg n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avg n GLY 86 N 3.85 4.72 3.70 -0.02 0.00 -1.21 -1.09 105.19 115.14 2avg n GLY 86 Ca 0.26 -2.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.14 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 -2.40 3.29 -0.30 1.61 1.51 -0.28 -3.61 117.35 117.16 2avg s TYR 87 Ca 0.39 1.23 0.03 0.00 -1.01 0.00 0.00 57.07 57.71 2avg s TYR 87 Cb 0.15 -3.44 0.08 0.00 -0.11 0.00 0.00 41.96 38.64 2avg s TYR 87 CO -0.02 -1.37 -0.02 1.03 -1.11 0.00 0.00 175.55 174.06 2avg s ARG 88 N 1.65 1.72 -0.24 -0.62 0.52 0.81 -2.06 118.95 120.73 2avg s ARG 88 Ca 0.58 -1.54 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 2avg s ARG 88 Cb -0.27 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.22 2avg s ARG 88 CO 0.26 -0.77 0.53 0.00 0.02 0.00 0.00 175.30 175.34 2avg s GLU 90 N 2.13 0.34 -0.08 0.00 2.12 -0.64 -0.00 118.70 122.57 2avg s GLU 90 Ca 0.23 -0.39 -0.03 0.00 0.36 0.00 0.00 54.97 55.13 2avg s GLU 90 Cb -0.16 -1.78 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 2avg s GLU 90 CO 0.09 -0.77 0.08 0.54 -0.54 0.00 0.00 175.26 174.66 2avg s VAL 91 N 1.99 4.90 -0.18 3.70 0.11 -0.92 -1.36 120.40 128.65 2avg s VAL 91 Ca 0.03 -0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 2avg s VAL 91 Cb -0.16 -3.14 0.06 0.00 -1.53 0.00 0.00 36.38 31.60 2avg s VAL 91 CO -0.17 0.54 0.08 -0.55 -3.33 0.00 0.00 175.10 171.67 2avg s SER 92 N -1.18 2.49 0.37 3.54 0.15 0.13 -3.19 113.70 116.01 2avg s SER 92 Ca 0.17 -0.67 0.03 0.00 0.70 0.00 0.00 55.95 56.18 2avg s SER 92 Cb -0.12 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 2avg s SER 92 CO 0.06 -0.34 0.10 -0.89 1.20 0.00 0.00 173.24 173.37 2avg s THR 93 N 2.07 0.83 0.00 6.45 2.01 -0.94 -1.88 115.64 124.19 2avg s THR 93 Ca 0.01 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.01 2avg s THR 93 Cb -0.16 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2avg s THR 93 CO -0.09 0.00 0.00 2.29 -0.69 0.00 0.00 174.62 176.13 2avg n LYS 94 N -0.79 0.00 0.00 4.92 -0.00 -1.26 -2.35 118.16 118.67 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 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 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 -1.09 0.00 -4.74 -5.58 2.03 -1.26 -4.97 116.55 100.93 2avg n ASP 95 Ca 0.00 -0.92 -0.36 0.00 0.52 0.00 0.00 54.79 54.03 2avg n ASP 95 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2avg n ASP 95 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2avg s LYS 96 N 0.00 4.18 0.03 -0.67 -0.14 -0.99 -2.58 119.74 119.56 2avg s LYS 96 Ca 0.00 0.09 0.04 0.00 -1.36 0.00 0.00 55.97 54.74 2avg s LYS 96 Cb 0.00 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 2avg s LYS 96 CO 0.00 0.31 -0.11 0.12 -0.76 0.00 0.00 175.35 174.91 2avg s PHE 97 N 0.26 0.94 -0.12 3.18 5.36 -1.26 -2.20 117.98 124.14 2avg s PHE 97 Ca 0.17 -0.34 -0.33 0.00 -0.96 0.00 0.00 56.93 55.47 2avg s PHE 97 Cb -0.13 -0.57 0.13 0.00 -0.34 0.00 0.00 43.02 42.12 2avg s PHE 97 CO 0.04 -0.00 1.27 0.34 -1.46 0.00 0.00 175.22 175.41 2avg s ASP 98 N -1.04 -0.08 -0.08 6.13 2.15 -1.19 -4.98 116.67 117.57 2avg s ASP 98 Ca -0.01 -0.06 -0.20 0.00 0.43 0.00 0.00 52.55 52.71 2avg s ASP 98 Cb -0.07 0.13 0.04 0.00 -0.30 0.00 0.00 42.92 42.72 2avg s ASP 98 CO 0.01 -0.23 0.47 0.00 -0.17 0.00 0.00 175.17 175.25 2avg s SER 100 N -0.73 2.43 -0.25 0.00 1.04 1.00 -4.99 113.70 112.19 2avg s SER 100 Ca -0.08 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.85 2avg s SER 100 Cb -0.03 -0.95 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 2avg s SER 100 CO 0.04 0.13 0.11 0.54 0.98 0.00 0.00 173.24 175.04 2avg s ASN 101 N 0.31 5.49 -0.06 7.02 6.03 -1.26 -1.88 114.94 130.58 2avg s ASN 101 Ca -0.12 -0.11 -0.03 0.00 -1.03 0.00 0.00 52.86 51.58 2avg s ASN 101 Cb -0.15 -1.99 0.04 0.00 -3.03 0.00 0.00 41.25 36.11 2avg s ASN 101 CO 0.05 -0.02 0.13 0.72 -2.03 0.00 0.00 177.10 175.95 2avg s PHE 102 N 1.52 -0.13 0.13 1.54 -0.71 -0.87 -4.83 117.98 114.63 2avg s PHE 102 Ca 0.06 0.47 0.04 0.00 -1.04 0.00 0.00 56.93 56.46 2avg s PHE 102 Cb -0.15 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.44 2avg s PHE 102 CO 0.06 -0.19 0.13 -0.80 -1.34 0.00 0.00 175.22 173.07 2avg s ASN 103 N 1.57 5.60 -0.30 1.98 0.01 -1.25 -1.13 114.94 121.42 2avg s ASN 103 Ca -0.05 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 2avg s ASN 103 Cb -0.12 -1.50 0.08 0.00 0.41 0.00 0.00 41.25 40.12 2avg s ASN 103 CO -0.05 0.11 0.00 -0.22 -1.51 0.00 0.00 177.10 175.43 2avg s LEU 104 N -2.82 3.64 -0.78 0.60 2.96 -0.25 -1.02 118.68 121.01 2avg s LEU 104 Ca 0.31 -1.71 -0.23 0.00 -0.22 0.00 0.00 54.13 52.28 2avg s LEU 104 Cb -0.11 -1.40 0.07 0.00 0.50 0.00 0.00 46.19 45.25 2avg s LEU 104 CO 0.23 -0.31 1.12 -0.89 -1.32 0.00 0.00 176.35 175.18 2avg s THR 105 N 1.16 4.25 -0.40 3.68 2.01 0.21 0.16 115.64 126.71 2avg s THR 105 Ca 0.03 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.20 2avg s THR 105 Cb -0.19 -4.80 0.02 0.00 0.01 0.00 0.00 72.50 67.54 2avg s THR 105 CO -0.09 -1.61 1.03 0.54 -0.69 0.00 0.00 174.62 173.80 2avg s VAL 106 N 4.18 4.44 -0.58 3.82 0.11 -1.25 -0.88 120.40 130.24 2avg s VAL 106 Ca 0.30 1.31 -0.19 0.00 -2.93 0.00 0.00 61.98 60.47 2avg s VAL 106 Cb -0.10 -4.45 0.10 0.00 -1.53 0.00 0.00 36.38 30.40 2avg s VAL 106 CO 0.04 -0.69 0.68 -1.00 -3.33 0.00 0.00 175.10 170.80 2avg s HIS 107 N 3.84 3.02 -0.04 1.54 3.76 0.27 -4.82 115.29 122.85 2avg s HIS 107 Ca 0.43 -0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 54.38 2avg s HIS 107 Cb -0.10 -3.92 -0.03 0.00 1.11 0.00 0.00 32.58 29.64 2avg s HIS 107 CO 0.22 -1.24 0.29 1.49 -0.85 0.00 0.00 174.74 174.65 2avg h GLU 108 N 9.14 -0.18 0.00 1.40 4.81 -1.92 -0.99 114.58 126.84 2avg h GLU 108 Ca -0.29 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2avg h GLU 108 Cb 1.09 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2avg h GLU 108 CO 1.08 -0.12 0.00 0.00 -0.73 0.00 0.00 179.01 179.24 2avg n ALA 109 N -2.49 0.00 -1.60 2.92 0.00 -1.26 -4.79 120.51 113.29 2avg n ALA 109 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2avg n ALA 109 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2avg n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50