#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 -1.04 -2.24 1.01 -1.26 -4.96 116.67 113.51 2avg s ASP 2 Ca 0.00 0.12 -0.24 0.00 0.71 0.00 0.00 52.55 53.14 2avg s ASP 2 Cb 0.00 -1.05 -0.10 0.00 1.01 0.00 0.00 42.92 42.78 2avg s ASP 2 CO 0.00 -1.11 2.02 -2.84 0.21 0.00 0.00 175.17 173.44 2avg s PRO 3 N -4.79 2.22 -0.01 8.23 0.02 -1.26 -4.50 135.00 134.91 2avg s PRO 3 Ca 0.56 -0.60 -0.03 0.00 0.02 0.00 0.00 61.00 60.95 2avg s PRO 3 Cb -0.10 -5.10 -0.01 0.00 0.02 0.00 0.00 34.50 29.31 2avg s PRO 3 CO 0.39 -4.08 -0.05 -0.89 -0.33 0.00 0.00 177.00 172.05 2avg n ILE 4 N 8.12 0.42 -0.97 2.83 -0.00 -1.26 -5.02 119.36 123.48 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 -1.45 0.00 0.00 -0.00 0.00 0.00 39.64 38.65 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 2.57 1.07 0.34 7.39 0.00 -1.26 -4.97 105.19 110.33 2avg n GLY 5 Ca -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.74 2avg n GLY 5 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2avg n LEU 6 N -0.15 -0.42 -4.50 0.99 7.94 -1.26 -2.30 117.00 117.29 2avg n LEU 6 Ca 0.00 1.60 -0.43 0.00 -1.11 0.00 0.00 56.01 56.07 2avg n LEU 6 Cb 0.20 -0.45 -0.02 0.00 0.53 0.00 0.00 43.42 43.69 2avg n LEU 6 CO 0.00 -1.51 1.37 -0.36 -1.11 0.00 0.00 177.39 175.78 2avg s PHE 7 N -6.08 3.04 0.22 1.96 0.40 -1.26 -0.45 117.98 115.82 2avg s PHE 7 Ca -0.14 -1.52 0.02 0.00 -0.60 0.00 0.00 56.93 54.69 2avg s PHE 7 Cb 0.23 -4.46 0.20 0.00 0.51 0.00 0.00 43.02 39.50 2avg s PHE 7 CO 0.70 -1.61 1.53 0.28 0.70 0.00 0.00 175.22 176.83 2avg h VAL 8 N 5.67 1.37 -1.82 -0.44 2.07 -0.86 -3.45 116.25 118.78 2avg h VAL 8 Ca 0.26 -1.95 0.02 0.00 0.82 0.00 0.00 66.70 65.85 2avg h VAL 8 Cb 0.95 1.96 -0.23 0.00 -1.52 0.00 0.00 31.29 32.45 2avg h VAL 8 CO 1.27 0.58 0.24 -0.32 0.02 0.00 0.00 177.57 179.37 2avg s MET 9 N -3.80 0.65 -0.06 1.57 -2.45 -1.03 -4.95 119.30 109.24 2avg s MET 9 Ca -0.05 0.87 0.04 0.00 -1.25 0.00 0.00 55.69 55.30 2avg s MET 9 Cb 0.12 0.27 -0.02 0.00 1.25 0.00 0.00 34.83 36.44 2avg s MET 9 CO 0.81 -0.09 -0.18 -0.98 1.05 0.00 0.00 175.02 175.63 2avg s ARG 10 N 0.68 2.59 1.13 4.11 1.70 -1.26 -0.28 118.95 127.61 2avg s ARG 10 Ca -0.02 -0.77 -0.18 0.00 -0.47 0.00 0.00 55.73 54.30 2avg s ARG 10 Cb -0.05 -2.33 0.26 0.00 -0.57 0.00 0.00 34.95 32.26 2avg s ARG 10 CO -0.07 0.51 1.14 -1.25 -1.08 0.00 0.00 175.30 174.55 2avg s PRO 11 N -0.44 -0.68 0.43 3.89 0.04 -1.09 -4.97 135.00 132.19 2avg s PRO 11 Ca 0.05 -0.05 0.03 0.00 0.04 0.00 0.00 61.00 61.07 2avg s PRO 11 Cb -0.12 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 2avg s PRO 11 CO 0.02 -3.35 0.09 -0.65 0.04 0.00 0.00 177.00 173.14 2avg s GLN 12 N -5.43 1.97 0.00 4.56 -1.52 -1.26 -4.75 119.66 113.24 2avg s GLN 12 Ca 0.70 -2.21 0.00 0.00 -1.95 0.00 0.00 55.36 51.91 2avg s GLN 12 Cb -0.10 -0.91 0.00 0.00 -0.22 0.00 0.00 33.01 31.79 2avg s GLN 12 CO 0.56 -0.41 0.00 -0.40 -0.25 0.00 0.00 175.29 174.79 2avg n ASP 13 N -1.23 0.00 0.00 5.90 5.75 -1.26 -4.73 116.55 120.98 2avg n ASP 13 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 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 2.86 4.19 3.24 6.12 0.00 -0.99 -4.86 105.19 115.74 2avg n GLY 14 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2avg n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2avg s GLU 15 N -2.33 2.91 0.10 1.61 2.12 -1.26 -0.12 118.70 121.73 2avg s GLU 15 Ca 0.00 -0.94 -0.01 0.00 0.36 0.00 0.00 54.97 54.38 2avg s GLU 15 Cb 0.00 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2avg s GLU 15 CO 0.00 -0.41 0.02 0.14 -0.54 0.00 0.00 175.26 174.47 2avg s VAL 16 N 1.37 0.21 0.39 3.70 -7.23 -0.23 -4.93 120.40 113.69 2avg s VAL 16 Ca 0.01 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2avg s VAL 16 Cb -0.17 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 2avg s VAL 16 CO -0.03 -0.67 0.60 0.28 -0.31 0.00 0.00 175.10 174.97 2avg s THR 17 N -3.96 4.61 -0.50 5.32 -1.32 -1.26 0.12 115.64 118.65 2avg s THR 17 Ca 0.18 -0.48 -0.28 0.00 -1.21 0.00 0.00 61.69 59.90 2avg s THR 17 Cb 0.07 -3.69 -0.00 0.00 -1.51 0.00 0.00 72.50 67.37 2avg s THR 17 CO -0.03 -0.46 1.60 -0.69 -2.21 0.00 0.00 174.62 172.84 2avg s VAL 18 N -2.42 3.63 0.00 5.08 1.01 -1.14 -1.79 120.40 124.77 2avg s VAL 18 Ca 0.44 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2avg s VAL 18 Cb -0.10 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2avg s VAL 18 CO 0.37 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 175.20 2avg n GLY 19 N 5.37 0.36 0.00 4.51 0.00 -1.26 -4.81 105.19 109.35 2avg n GLY 19 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.06 3.55 -0.02 0.00 -0.74 -4.79 105.19 104.25 2avg n GLY 20 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.71 -0.11 -0.01 1.61 1.04 -1.26 0.42 113.70 114.68 2avg s SER 21 Ca 0.00 -0.82 -0.12 0.00 0.48 0.00 0.00 55.95 55.49 2avg s SER 21 Cb 0.00 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2avg s SER 21 CO 0.00 -1.09 0.25 -0.51 0.98 0.00 0.00 173.24 172.86 2avg s ILE 22 N -3.98 0.07 -0.03 -1.02 1.10 0.29 -4.82 121.20 112.80 2avg s ILE 22 Ca 0.19 -0.54 -0.00 0.00 -0.51 0.00 0.00 60.65 59.78 2avg s ILE 22 Cb -0.00 -0.54 0.03 0.00 0.15 0.00 0.00 42.46 42.09 2avg s ILE 22 CO 0.05 -0.30 0.03 -0.89 -2.11 0.00 0.00 174.94 171.72 2avg s THR 23 N -1.31 0.01 0.09 4.00 2.01 -1.26 -1.21 115.64 117.96 2avg s THR 23 Ca -0.14 0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.19 2avg s THR 23 Cb -0.06 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 2avg s THR 23 CO 0.03 0.13 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.50 2avg s PHE 24 N 1.37 2.04 -0.07 4.92 0.08 -0.95 -4.87 117.98 120.50 2avg s PHE 24 Ca -0.05 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2avg s PHE 24 Cb -0.13 -1.14 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2avg s PHE 24 CO -0.03 0.22 -0.01 -1.12 -0.10 0.00 0.00 175.22 174.18 2avg s SER 25 N -1.73 1.43 -0.10 1.36 0.01 -1.26 0.08 113.70 113.50 2avg s SER 25 Ca 0.10 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.27 2avg s SER 25 Cb -0.10 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.69 2avg s SER 25 CO 0.04 -0.16 -0.15 0.00 0.41 0.00 0.00 173.24 173.39 2avg s ALA 26 N 1.69 1.59 -0.18 1.44 0.00 0.16 -2.67 121.76 123.78 2avg s ALA 26 Ca 0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2avg s ALA 26 Cb -0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 2avg s ALA 26 CO -0.04 -0.02 -0.09 1.03 0.00 0.00 0.00 175.76 176.63 2avg s ARG 27 N 0.90 3.34 -0.13 0.00 0.52 0.61 -0.02 118.95 124.17 2avg s ARG 27 Ca -0.09 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2avg s ARG 27 Cb -0.15 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.51 2avg s ARG 27 CO 0.00 -0.05 -0.19 0.08 0.02 0.00 0.00 175.30 175.16 2avg s VAL 28 N 1.04 1.81 -0.27 3.52 1.01 -0.33 -1.57 120.40 125.62 2avg s VAL 28 Ca -0.00 -0.83 -0.32 0.00 0.00 0.00 0.00 61.98 60.83 2avg s VAL 28 Cb -0.15 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 2avg s VAL 28 CO -0.01 0.50 2.17 0.00 0.00 0.00 0.00 175.10 177.76 2avg n ALA 29 N 4.13 1.34 -0.28 5.51 0.00 0.41 0.27 120.51 131.89 2avg n ALA 29 Ca -0.19 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.20 2avg n ALA 29 Cb 0.51 -2.69 0.20 0.00 0.00 0.00 0.00 19.45 17.47 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 13.11 1.28 0.00 0.00 0.00 0.33 -3.45 103.07 114.34 2avg h GLY 30 Ca -0.35 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2avg h GLY 30 CO 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 176.54 177.52 2avg n ALA 31 N -2.43 0.00 -3.82 3.60 0.00 -1.24 -4.71 120.51 111.91 2avg n ALA 31 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 2avg n ALA 31 Cb 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 2avg n ALA 31 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2avg s SER 32 N -4.00 3.15 0.35 0.00 0.01 -1.26 -5.11 113.70 106.85 2avg s SER 32 Ca 0.00 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 2avg s SER 32 Cb 0.00 -1.47 0.01 0.00 0.21 0.00 0.00 66.02 64.77 2avg s SER 32 CO 0.00 0.05 0.52 -1.48 0.41 0.00 0.00 173.24 172.74 2avg s LEU 33 N 1.00 0.87 -0.03 2.44 -0.00 -1.26 -5.03 118.68 116.66 2avg s LEU 33 Ca -0.02 -1.44 -0.20 0.00 -0.00 0.00 0.00 54.13 52.47 2avg s LEU 33 Cb -0.15 1.67 -0.13 0.00 -0.00 0.00 0.00 46.19 47.59 2avg s LEU 33 CO -0.06 -1.36 0.84 0.25 -0.00 0.00 0.00 176.35 176.02 2avg h LEU 34 N 2.09 -0.38 -8.34 1.48 5.85 -1.97 -3.45 115.31 110.59 2avg h LEU 34 Ca -0.29 -0.14 -0.46 0.00 0.84 0.00 0.00 57.88 57.84 2avg h LEU 34 Cb 1.24 0.10 -0.25 0.00 0.37 0.00 0.00 40.66 42.12 2avg h LEU 34 CO 0.39 0.08 -0.80 -1.59 -0.34 0.00 0.00 178.44 176.19 2avg s LYS 35 N -3.66 0.98 0.23 1.25 0.00 -1.26 -5.07 119.74 112.21 2avg s LYS 35 Ca -0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 55.97 54.80 2avg s LYS 35 Cb 0.01 -0.99 -0.16 0.00 0.00 0.00 0.00 37.83 36.69 2avg s LYS 35 CO 0.38 0.25 0.84 -2.30 0.00 0.00 0.00 175.35 174.52 2avg n PRO 36 N 1.91 0.74 -1.74 1.78 -0.02 -1.26 -4.32 135.00 132.09 2avg n PRO 36 Ca -0.18 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 2avg n PRO 36 Cb 0.55 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 32.51 2avg n PRO 36 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2avg n PRO 37 N 0.99 2.58 -3.34 0.52 -0.02 -1.26 -4.92 135.00 129.55 2avg n PRO 37 Ca 0.14 0.91 -0.45 0.00 -2.02 0.00 0.00 63.50 62.09 2avg n PRO 37 Cb 0.27 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.04 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 -0.44 5.17 -0.30 -1.45 1.01 -0.54 -4.92 120.40 118.93 2avg s VAL 38 Ca 0.60 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2avg s VAL 38 Cb -0.51 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 31.68 2avg s VAL 38 CO 0.54 -0.67 0.10 -0.69 0.00 0.00 0.00 175.10 174.39 2avg s VAL 39 N 1.81 4.14 -0.18 2.92 1.01 -1.26 0.31 120.40 129.14 2avg s VAL 39 Ca 0.06 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2avg s VAL 39 Cb -0.24 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2avg s VAL 39 CO 0.07 0.05 0.04 -1.59 0.00 0.00 0.00 175.10 173.67 2avg s LYS 40 N 1.53 3.91 0.08 2.72 0.00 -0.07 -4.96 119.74 122.93 2avg s LYS 40 Ca 0.03 -0.38 -0.16 0.00 0.00 0.00 0.00 55.97 55.46 2avg s LYS 40 Cb -0.17 -3.17 -0.06 0.00 0.00 0.00 0.00 37.83 34.43 2avg s LYS 40 CO 0.04 0.24 0.51 -1.58 0.00 0.00 0.00 175.35 174.56 2avg s TRP 41 N 0.43 3.71 -0.10 1.78 0.52 -1.26 -1.20 118.94 122.82 2avg s TRP 41 Ca 0.02 1.11 0.02 0.00 0.02 0.00 0.00 56.10 57.27 2avg s TRP 41 Cb -0.13 -2.39 0.01 0.00 -1.15 0.00 0.00 33.47 29.82 2avg s TRP 41 CO 0.01 0.55 -0.15 0.12 0.02 0.00 0.00 176.95 177.50 2avg s PHE 42 N -1.23 1.89 -0.40 -1.98 5.36 -0.80 -2.56 117.98 118.26 2avg s PHE 42 Ca 0.31 -0.87 -0.12 0.00 -0.96 0.00 0.00 56.93 55.29 2avg s PHE 42 Cb -0.17 -1.37 0.04 0.00 -0.34 0.00 0.00 43.02 41.18 2avg s PHE 42 CO 0.18 -0.45 0.25 0.21 -1.46 0.00 0.00 175.22 173.95 2avg s LYS 43 N 0.97 2.82 -0.96 10.12 2.20 0.25 -1.04 119.74 134.10 2avg s LYS 43 Ca -0.07 -1.17 -0.24 0.00 -0.36 0.00 0.00 55.97 54.13 2avg s LYS 43 Cb -0.15 -3.83 0.04 0.00 -1.51 0.00 0.00 37.83 32.39 2avg s LYS 43 CO -0.01 -0.79 1.43 0.20 -0.36 0.00 0.00 175.35 175.81 2avg s GLY 44 N 1.79 1.16 -0.15 5.54 0.00 -0.71 -2.02 107.32 112.94 2avg s GLY 44 Ca 0.03 -2.06 0.09 0.00 0.00 0.00 0.00 44.72 42.78 2avg s GLY 44 CO 0.06 2.70 -0.01 1.17 0.00 0.00 0.00 173.10 177.02 2avg n LYS 45 N 8.99 1.41 0.00 2.90 4.81 -1.25 -1.87 118.16 133.15 2avg n LYS 45 Ca 0.27 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2avg n LYS 45 Cb 0.51 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.21 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 2avg n TRP 46 N -2.64 0.00 -2.73 5.64 2.14 -1.19 -5.02 117.44 113.63 2avg n TRP 46 Ca -0.25 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.11 2avg n TRP 46 Cb 0.91 0.00 0.06 0.00 -0.81 0.00 0.00 31.31 31.47 2avg n TRP 46 CO 0.00 0.00 0.00 0.14 2.07 0.00 0.00 177.69 179.90 2avg s VAL 47 N 0.00 2.46 0.18 -1.67 -7.23 -0.86 -4.92 120.40 108.36 2avg s VAL 47 Ca 0.00 -0.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.48 2avg s VAL 47 Cb 0.00 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2avg s VAL 47 CO 0.00 0.00 0.18 -1.81 -0.31 0.00 0.00 175.10 173.16 2avg s ASP 48 N -4.55 5.71 0.02 4.85 1.11 -1.26 0.85 116.67 123.40 2avg s ASP 48 Ca 0.61 -0.08 0.05 0.00 0.18 0.00 0.00 52.55 53.30 2avg s ASP 48 Cb -0.08 -1.54 -0.24 0.00 1.07 0.00 0.00 42.92 42.13 2avg s ASP 48 CO 0.40 0.04 0.92 -0.07 1.18 0.00 0.00 175.17 177.64 2avg h LEU 49 N 2.17 0.15 -2.67 1.23 4.07 -1.80 -3.37 115.31 115.08 2avg h LEU 49 Ca -0.48 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.26 2avg h LEU 49 Cb 1.21 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 2avg h LEU 49 CO 0.64 1.18 0.10 0.77 -1.08 0.00 0.00 178.44 180.05 2avg h SER 50 N 0.03 0.00 0.38 -0.43 4.64 -1.97 0.79 113.55 116.99 2avg h SER 50 Ca -0.19 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.82 2avg h SER 50 Cb 1.94 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.97 2avg h SER 50 CO 0.13 0.00 -1.86 -0.24 -0.87 0.00 0.00 176.83 173.99 2avg n SER 51 N -3.07 0.75 -0.12 4.97 2.88 -1.26 -4.56 113.62 113.22 2avg n SER 51 Ca -0.03 0.32 -0.21 0.00 -1.33 0.00 0.00 58.87 57.63 2avg n SER 51 Cb 0.17 0.12 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 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 -3.00 0.65 -0.19 -1.46 4.76 0.23 -4.93 118.16 114.21 2avg n LYS 52 Ca -0.21 0.19 -0.04 0.00 -2.87 0.00 0.00 58.31 55.38 2avg n LYS 52 Cb 1.07 -1.54 -0.02 0.00 -1.84 0.00 0.00 35.03 32.70 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 -3.49 0.00 0.00 -0.18 0.31 0.12 -4.69 118.33 110.40 2avg n VAL 53 Ca -0.46 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2avg n VAL 53 Cb 0.97 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 2avg n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2avg n GLY 54 N 0.78 3.70 0.17 2.92 0.00 0.38 -4.86 105.19 108.27 2avg n GLY 54 Ca 0.09 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.98 115.11 115.98 2avg h GLN 55 Ca 0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 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 0.01 -2.41 -2.39 -0.67 0.00 0.00 178.83 173.37 2avg n HIS 56 N -2.90 0.00 -3.97 2.96 1.44 -1.26 -4.76 115.22 106.73 2avg n HIS 56 Ca 0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.40 2avg n HIS 56 Cb 0.54 -0.96 -0.14 0.00 0.12 0.00 0.00 29.99 29.55 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 -6.21 4.44 -0.34 2.39 0.20 -1.23 0.64 118.68 118.56 2avg s LEU 57 Ca -0.28 -1.83 -0.17 0.00 0.69 0.00 0.00 54.13 52.54 2avg s LEU 57 Cb 0.08 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 44.17 2avg s LEU 57 CO 0.63 -0.35 0.44 -1.10 -0.29 0.00 0.00 176.35 175.68 2avg s GLN 58 N 1.04 3.60 -0.79 1.98 1.11 0.88 0.14 119.66 127.63 2avg s GLN 58 Ca 0.04 -0.28 -0.15 0.00 0.01 0.00 0.00 55.36 54.98 2avg s GLN 58 Cb -0.20 -3.80 0.20 0.00 -1.01 0.00 0.00 33.01 28.19 2avg s GLN 58 CO -0.06 -0.58 0.76 -1.17 0.01 0.00 0.00 175.29 174.26 2avg s LEU 59 N 2.20 6.51 0.33 2.90 0.20 -1.25 0.34 118.68 129.90 2avg s LEU 59 Ca 0.15 -2.49 0.06 0.00 0.69 0.00 0.00 54.13 52.54 2avg s LEU 59 Cb -0.16 -2.23 -0.01 0.00 -0.43 0.00 0.00 46.19 43.36 2avg s LEU 59 CO 0.12 -0.67 0.47 -2.28 -0.29 0.00 0.00 176.35 173.70 2avg s HIS 60 N 0.63 3.15 -0.05 5.38 2.46 0.27 -4.87 115.29 122.26 2avg s HIS 60 Ca 0.17 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.52 2avg s HIS 60 Cb -0.13 -1.96 0.02 0.00 -0.13 0.00 0.00 32.58 30.39 2avg s HIS 60 CO -0.07 0.02 -0.02 0.16 -2.47 0.00 0.00 174.74 172.37 2avg s ASP 61 N -4.15 1.05 0.04 9.88 1.47 -1.26 0.92 116.67 124.62 2avg s ASP 61 Ca 0.44 -0.09 0.01 0.00 1.18 0.00 0.00 52.55 54.08 2avg s ASP 61 Cb -0.09 -0.40 -0.04 0.00 -0.34 0.00 0.00 42.92 42.05 2avg s ASP 61 CO 0.31 -0.11 0.12 -0.44 0.68 0.00 0.00 175.17 175.73 2avg s SER 62 N 1.30 5.86 -0.28 2.11 0.01 0.32 -4.94 113.70 118.09 2avg s SER 62 Ca -0.05 0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 2avg s SER 62 Cb -0.13 -1.70 0.11 0.00 0.21 0.00 0.00 66.02 64.50 2avg s SER 62 CO -0.02 0.22 0.17 -0.47 0.41 0.00 0.00 173.24 173.55 2avg s TYR 63 N -1.34 0.09 -0.31 2.43 5.04 -1.26 -0.25 117.35 121.75 2avg s TYR 63 Ca 0.28 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 54.29 2avg s TYR 63 Cb -0.12 -0.75 0.05 0.00 0.35 0.00 0.00 41.96 41.49 2avg s TYR 63 CO 0.20 -0.82 0.02 0.16 -1.34 0.00 0.00 175.55 173.77 2avg s ASP 64 N 2.18 4.92 0.24 4.32 1.47 -0.83 -4.96 116.67 124.02 2avg s ASP 64 Ca 0.08 -1.33 0.07 0.00 1.18 0.00 0.00 52.55 52.56 2avg s ASP 64 Cb -0.15 -1.72 0.27 0.00 -0.34 0.00 0.00 42.92 40.97 2avg s ASP 64 CO -0.33 -0.28 1.56 -0.09 0.68 0.00 0.00 175.17 176.72 2avg h ARG 65 N 8.00 0.12 0.00 2.11 1.12 -1.94 0.81 114.38 124.60 2avg h ARG 65 Ca -0.20 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.58 2avg h ARG 65 Cb 1.06 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 2avg h ARG 65 CO 0.54 0.72 0.00 0.00 -3.11 0.00 0.00 179.97 178.12 2avg n ALA 66 N -2.45 1.47 -0.01 2.80 0.00 -1.26 -0.77 120.51 120.29 2avg n ALA 66 Ca -0.02 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2avg n ALA 66 Cb 0.64 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 2avg n ALA 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2avg n SER 67 N -2.28 1.70 -3.51 0.00 2.88 -0.88 -5.00 113.62 106.52 2avg n SER 67 Ca 0.01 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.32 2avg n SER 67 Cb 0.17 1.65 0.08 0.00 -0.75 0.00 0.00 64.21 65.35 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 -2.01 -7.77 -4.28 -1.46 3.00 0.27 -4.92 118.16 101.00 2avg n LYS 68 Ca -0.03 0.81 -0.17 0.00 -0.00 0.00 0.00 58.31 58.91 2avg n LYS 68 Cb 0.39 -5.80 -0.14 0.00 0.00 0.00 0.00 35.03 29.48 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 -3.31 0.72 -0.33 3.15 1.01 -0.43 0.98 120.40 122.18 2avg s VAL 69 Ca 0.56 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2avg s VAL 69 Cb -0.25 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2avg s VAL 69 CO 0.71 0.04 0.15 -0.31 0.00 0.00 0.00 175.10 175.69 2avg s TYR 70 N -0.55 3.20 -0.50 5.22 2.02 0.14 -1.96 117.35 124.93 2avg s TYR 70 Ca 0.00 -0.86 -0.19 0.00 -0.37 0.00 0.00 57.07 55.65 2avg s TYR 70 Cb -0.05 -2.36 0.06 0.00 -0.40 0.00 0.00 41.96 39.21 2avg s TYR 70 CO 0.00 -0.57 0.59 -1.17 -1.57 0.00 0.00 175.55 172.84 2avg s LEU 71 N 1.55 5.04 -0.34 -1.29 2.96 0.66 -1.18 118.68 126.07 2avg s LEU 71 Ca 0.03 -0.95 -0.23 0.00 -0.22 0.00 0.00 54.13 52.76 2avg s LEU 71 Cb -0.18 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.10 2avg s LEU 71 CO 0.05 -0.86 0.75 -0.36 -1.32 0.00 0.00 176.35 174.62 2avg s PHE 72 N 2.51 3.15 -0.16 5.38 0.08 0.98 0.12 117.98 130.03 2avg s PHE 72 Ca 0.14 0.59 -0.11 0.00 0.12 0.00 0.00 56.93 57.67 2avg s PHE 72 Cb -0.20 -3.29 -0.05 0.00 -0.57 0.00 0.00 43.02 38.91 2avg s PHE 72 CO 0.11 -0.66 0.19 -1.21 -0.10 0.00 0.00 175.22 173.56 2avg s GLU 73 N 2.98 4.02 -0.31 0.44 2.02 0.26 -0.67 118.70 127.44 2avg s GLU 73 Ca 0.30 -0.08 -0.10 0.00 0.02 0.00 0.00 54.97 55.12 2avg s GLU 73 Cb -0.14 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 2avg s GLU 73 CO 0.15 0.41 0.16 -0.51 0.02 0.00 0.00 175.26 175.50 2avg s LEU 74 N -0.01 4.16 -0.51 1.80 2.01 0.11 0.94 118.68 127.19 2avg s LEU 74 Ca 0.13 -0.50 -0.02 0.00 0.01 0.00 0.00 54.13 53.75 2avg s LEU 74 Cb -0.12 -2.02 0.13 0.00 0.01 0.00 0.00 46.19 44.19 2avg s LEU 74 CO 0.02 -0.20 0.30 -1.00 1.01 0.00 0.00 176.35 176.48 2avg s HIS 75 N 1.63 3.49 -0.34 0.29 3.76 0.15 -2.23 115.29 122.04 2avg s HIS 75 Ca 0.05 -2.63 0.04 0.00 -0.15 0.00 0.00 55.06 52.37 2avg s HIS 75 Cb -0.17 -3.17 0.10 0.00 1.11 0.00 0.00 32.58 30.45 2avg s HIS 75 CO 0.07 -0.90 0.06 0.42 -0.85 0.00 0.00 174.74 173.54 2avg s ILE 76 N 0.51 2.35 -0.12 0.60 1.01 -0.35 -0.08 121.20 125.11 2avg s ILE 76 Ca 0.13 -2.32 -0.04 0.00 0.00 0.00 0.00 60.65 58.42 2avg s ILE 76 Cb -0.22 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2avg s ILE 76 CO -0.04 -0.60 0.01 0.42 0.00 0.00 0.00 174.94 174.73 2avg s THR 77 N 0.92 4.37 -0.10 2.92 -4.23 0.21 0.10 115.64 119.83 2avg s THR 77 Ca 0.11 -0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.34 2avg s THR 77 Cb -0.19 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.79 2avg s THR 77 CO -0.08 0.55 0.14 -0.67 -0.54 0.00 0.00 174.62 174.02 2avg n ASP 78 N 2.72 -1.74 -4.66 3.99 2.03 0.17 -4.55 116.55 114.50 2avg n ASP 78 Ca -0.18 0.89 -0.38 0.00 0.52 0.00 0.00 54.79 55.64 2avg n ASP 78 Cb 0.53 -3.67 -0.08 0.00 -0.72 0.00 0.00 41.12 37.19 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 -0.41 3.56 0.19 -1.67 0.00 -1.26 -4.93 121.76 117.25 2avg s ALA 79 Ca -0.16 -0.58 -0.33 0.00 0.00 0.00 0.00 51.96 50.89 2avg s ALA 79 Cb 0.01 -2.62 -0.13 0.00 0.00 0.00 0.00 23.12 20.38 2avg s ALA 79 CO 0.43 -0.33 1.59 0.94 0.00 0.00 0.00 175.76 178.39 2avg n GLN 80 N 4.56 2.32 0.02 0.00 -0.06 -1.26 -4.33 117.38 118.63 2avg n GLN 80 Ca -0.09 0.84 0.02 0.00 -2.00 0.00 0.00 57.00 55.77 2avg n GLN 80 Cb 0.51 -2.61 0.10 0.00 -4.06 0.00 0.00 30.24 24.18 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 3.29 0.02 -0.24 3.69 -0.04 -1.26 -0.19 135.00 140.26 2avg n PRO 81 Ca 0.15 0.50 0.07 0.00 -0.04 0.00 0.00 63.50 64.18 2avg n PRO 81 Cb 0.31 -1.56 0.17 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.54 2.49 0.10 0.55 0.00 -1.26 -4.63 120.51 116.22 2avg n ALA 82 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 53.44 51.55 2avg n ALA 82 Cb 0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 1.36 -0.31 -6.74 0.00 0.04 -0.86 -3.45 116.94 106.98 2avg h PHE 83 Ca 0.00 -0.01 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 2avg h PHE 83 Cb 1.02 0.10 0.01 0.00 2.20 0.00 0.00 35.95 39.28 2avg h PHE 83 CO 0.27 -0.03 -0.99 2.41 -0.60 0.00 0.00 178.31 179.37 2avg n THR 84 N -5.00 -3.62 -1.52 -1.55 -1.04 -1.23 -3.85 114.28 96.47 2avg n THR 84 Ca -0.06 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.05 61.25 2avg n THR 84 Cb 0.21 -2.92 -0.10 0.00 -1.82 0.00 0.00 70.33 65.71 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 -1.93 -0.28 3.45 3.41 0.00 0.17 -4.35 105.19 105.65 2avg n GLY 85 Ca -0.14 0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 8.29 2.34 -0.43 -0.02 0.00 -0.78 0.14 107.32 116.86 2avg s GLY 86 Ca 0.87 -3.23 -0.29 0.00 0.00 0.00 0.00 44.72 42.08 2avg s GLY 86 CO 0.16 1.96 1.23 -0.19 0.00 0.00 0.00 173.10 176.26 2avg s TYR 87 N 1.63 2.69 -0.42 1.90 1.51 0.44 -1.74 117.35 123.37 2avg s TYR 87 Ca 0.38 0.75 -0.15 0.00 -1.01 0.00 0.00 57.07 57.04 2avg s TYR 87 Cb -0.04 -4.30 0.03 0.00 -0.11 0.00 0.00 41.96 37.53 2avg s TYR 87 CO -0.04 -1.50 0.32 0.50 -1.11 0.00 0.00 175.55 173.72 2avg s ARG 88 N 4.53 2.97 -0.18 -0.62 3.52 -0.20 -3.04 118.95 125.93 2avg s ARG 88 Ca 0.53 -1.07 -0.12 0.00 -0.13 0.00 0.00 55.73 54.94 2avg s ARG 88 Cb -0.10 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.24 2avg s ARG 88 CO 0.30 -0.80 0.22 0.00 -0.81 0.00 0.00 175.30 174.22 2avg s GLU 90 N 0.49 1.11 -0.11 0.00 2.02 -0.34 0.11 118.70 121.99 2avg s GLU 90 Ca 0.13 -0.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 2avg s GLU 90 Cb -0.12 -1.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 2avg s GLU 90 CO 0.02 -0.31 0.01 0.54 0.02 0.00 0.00 175.26 175.54 2avg s VAL 91 N 1.82 4.38 -0.22 2.63 0.11 -0.40 -0.90 120.40 127.82 2avg s VAL 91 Ca 0.04 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2avg s VAL 91 Cb -0.13 -2.87 0.06 0.00 -1.53 0.00 0.00 36.38 31.91 2avg s VAL 91 CO -0.07 0.57 -0.00 -0.55 -3.33 0.00 0.00 175.10 171.72 2avg s SER 92 N -0.56 3.45 0.40 3.54 0.15 0.15 -3.12 113.70 117.71 2avg s SER 92 Ca 0.10 -1.05 0.04 0.00 0.70 0.00 0.00 55.95 55.73 2avg s SER 92 Cb -0.12 -0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 63.25 2avg s SER 92 CO 0.02 -0.28 0.08 -0.89 1.20 0.00 0.00 173.24 173.37 2avg s THR 93 N 1.61 0.94 0.00 6.45 2.01 -0.94 -1.46 115.64 124.25 2avg s THR 93 Ca -0.03 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 59.97 2avg s THR 93 Cb -0.18 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2avg s THR 93 CO -0.08 0.00 0.00 2.29 -0.69 0.00 0.00 174.62 176.14 2avg n LYS 94 N -0.89 0.00 0.00 4.92 -0.00 -1.26 -2.62 118.16 118.31 2avg n LYS 94 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 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 -0.68 0.00 -4.84 -5.58 2.03 -1.26 -4.95 116.55 101.27 2avg n ASP 95 Ca 0.00 -0.80 -0.35 0.00 0.52 0.00 0.00 54.79 54.16 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 -0.75 -1.92 0.00 0.00 177.20 174.53 2avg s LYS 96 N 0.00 3.30 -0.02 -0.67 2.20 -1.08 -0.82 119.74 122.64 2avg s LYS 96 Ca 0.00 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.34 2avg s LYS 96 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2avg s LYS 96 CO 0.00 0.71 -0.10 0.12 -0.36 0.00 0.00 175.35 175.72 2avg s PHE 97 N -1.14 1.03 -0.00 4.03 5.36 -1.26 -2.21 117.98 123.78 2avg s PHE 97 Ca 0.20 -0.25 -0.23 0.00 -0.96 0.00 0.00 56.93 55.69 2avg s PHE 97 Cb -0.12 -0.71 0.05 0.00 -0.34 0.00 0.00 43.02 41.89 2avg s PHE 97 CO 0.10 -0.09 0.51 -0.51 -1.46 0.00 0.00 175.22 173.77 2avg s ASP 98 N 0.10 -0.43 0.01 6.13 1.01 -1.18 -4.96 116.67 117.36 2avg s ASP 98 Ca -0.02 0.32 -0.18 0.00 0.71 0.00 0.00 52.55 53.39 2avg s ASP 98 Cb -0.08 0.45 0.03 0.00 1.01 0.00 0.00 42.92 44.33 2avg s ASP 98 CO 0.00 -0.60 0.39 0.00 0.21 0.00 0.00 175.17 175.18 2avg s SER 100 N -1.69 1.70 -0.20 0.00 1.04 0.12 -4.97 113.70 109.70 2avg s SER 100 Ca -0.09 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2avg s SER 100 Cb -0.02 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.06 2avg s SER 100 CO 0.01 0.00 -0.07 0.54 0.98 0.00 0.00 173.24 174.70 2avg s ASN 101 N -1.36 3.33 -0.07 7.02 4.22 -1.26 -1.91 114.94 124.91 2avg s ASN 101 Ca 0.01 -0.89 -0.03 0.00 -2.14 0.00 0.00 52.86 49.80 2avg s ASN 101 Cb -0.09 -1.10 0.04 0.00 1.28 0.00 0.00 41.25 41.38 2avg s ASN 101 CO 0.02 -0.19 0.16 0.72 -2.04 0.00 0.00 177.10 175.77 2avg s PHE 102 N 1.48 -0.19 -0.16 1.54 -0.71 -1.17 -4.75 117.98 114.02 2avg s PHE 102 Ca -0.02 0.53 -0.02 0.00 -1.04 0.00 0.00 56.93 56.38 2avg s PHE 102 Cb -0.17 -0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.56 2avg s PHE 102 CO -0.07 -0.18 -0.09 0.54 -1.34 0.00 0.00 175.22 174.08 2avg s ASN 103 N 1.19 4.26 -0.45 1.98 4.22 -1.25 -0.42 114.94 124.47 2avg s ASN 103 Ca -0.09 -0.30 -0.17 0.00 -2.14 0.00 0.00 52.86 50.16 2avg s ASN 103 Cb -0.11 -1.68 0.04 0.00 1.28 0.00 0.00 41.25 40.78 2avg s ASN 103 CO -0.06 0.12 0.46 -0.22 -2.04 0.00 0.00 177.10 175.35 2avg s LEU 104 N 0.66 5.12 -0.73 3.54 2.96 0.37 -2.35 118.68 128.24 2avg s LEU 104 Ca -0.05 -0.93 -0.21 0.00 -0.22 0.00 0.00 54.13 52.72 2avg s LEU 104 Cb -0.15 -2.32 0.09 0.00 0.50 0.00 0.00 46.19 44.30 2avg s LEU 104 CO 0.02 -0.66 1.00 -0.89 -1.32 0.00 0.00 176.35 174.50 2avg s THR 105 N 2.08 4.46 -0.31 3.68 2.01 0.83 0.42 115.64 128.81 2avg s THR 105 Ca 0.10 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 2avg s THR 105 Cb -0.20 -4.70 0.00 0.00 0.01 0.00 0.00 72.50 67.61 2avg s THR 105 CO 0.11 -1.46 0.78 0.54 -0.69 0.00 0.00 174.62 173.90 2avg s VAL 106 N 3.60 4.80 -0.56 3.82 0.11 -1.23 -1.06 120.40 129.87 2avg s VAL 106 Ca 0.25 1.14 -0.04 0.00 -2.93 0.00 0.00 61.98 60.39 2avg s VAL 106 Cb -0.14 -4.14 0.15 0.00 -1.53 0.00 0.00 36.38 30.72 2avg s VAL 106 CO 0.04 -0.26 0.39 -1.00 -3.33 0.00 0.00 175.10 170.94 2avg s HIS 107 N 2.94 3.48 -0.32 1.54 3.76 0.32 -4.82 115.29 122.19 2avg s HIS 107 Ca 0.32 -2.53 -0.28 0.00 -0.15 0.00 0.00 55.06 52.42 2avg s HIS 107 Cb -0.14 -3.26 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 2avg s HIS 107 CO 0.13 -0.90 2.18 -2.00 -0.85 0.00 0.00 174.74 173.30 2avg s GLU 108 N 0.39 2.90 0.00 1.40 2.12 -1.26 -2.86 118.70 121.38 2avg s GLU 108 Ca 0.14 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.19 2avg s GLU 108 Cb -0.21 -4.40 0.00 0.00 0.26 0.00 0.00 34.13 29.78 2avg s GLU 108 CO -0.04 -2.37 0.00 0.00 -0.54 0.00 0.00 175.26 172.31 2avg n ALA 109 N 12.51 0.00 0.00 6.30 0.00 -1.26 -4.95 120.51 133.11 2avg n ALA 109 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2avg n ALA 109 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38