#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 6.15 -0.75 -2.24 1.01 -1.26 -4.96 116.67 114.62 2avg s ASP 2 Ca 0.00 0.37 -0.26 0.00 0.71 0.00 0.00 52.55 53.37 2avg s ASP 2 Cb 0.00 -1.86 -0.13 0.00 1.01 0.00 0.00 42.92 41.94 2avg s ASP 2 CO 0.00 -0.41 2.42 -0.81 0.21 0.00 0.00 175.17 176.58 2avg n PRO 3 N -1.86 0.62 0.02 8.23 -0.04 -1.26 -4.53 135.00 136.18 2avg n PRO 3 Ca -0.03 -0.74 -0.01 0.00 -0.04 0.00 0.00 63.50 62.68 2avg n PRO 3 Cb 0.57 -3.66 -0.00 0.00 -0.04 0.00 0.00 33.50 30.37 2avg n PRO 3 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2avg n ILE 4 N 8.69 0.64 -0.69 0.52 -0.00 -1.26 -5.03 119.36 122.23 2avg n ILE 4 Ca 0.46 0.22 0.00 0.00 -0.00 0.00 0.00 62.75 63.43 2avg n ILE 4 Cb 0.44 -1.37 0.00 0.00 -0.00 0.00 0.00 39.64 38.71 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 3.28 0.84 0.36 7.39 0.00 -1.26 -4.95 105.19 110.85 2avg n GLY 5 Ca -0.01 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 0.83 -7.74 0.99 5.85 -1.93 -2.96 115.31 110.35 2avg h LEU 6 Ca 0.00 0.07 -0.76 0.00 0.84 0.00 0.00 57.88 58.03 2avg h LEU 6 Cb 0.29 -0.08 -0.23 0.00 0.37 0.00 0.00 40.66 41.01 2avg h LEU 6 CO 0.00 0.36 0.63 -0.36 -0.34 0.00 0.00 178.44 178.73 2avg s PHE 7 N -5.88 3.78 -0.04 1.25 0.40 -1.26 -1.69 117.98 114.53 2avg s PHE 7 Ca -0.11 -2.17 -0.26 0.00 -0.60 0.00 0.00 56.93 53.79 2avg s PHE 7 Cb 0.24 -4.02 -0.21 0.00 0.51 0.00 0.00 43.02 39.54 2avg s PHE 7 CO 0.80 -1.15 1.15 0.28 0.70 0.00 0.00 175.22 177.00 2avg h VAL 8 N 4.54 1.48 -3.53 -0.44 2.07 -1.07 -3.45 116.25 115.86 2avg h VAL 8 Ca 0.19 -1.49 -0.23 0.00 0.82 0.00 0.00 66.70 65.99 2avg h VAL 8 Cb 0.94 2.45 -0.29 0.00 -1.52 0.00 0.00 31.29 32.87 2avg h VAL 8 CO 1.01 0.39 -0.66 -0.32 0.02 0.00 0.00 177.57 178.02 2avg s MET 9 N -3.74 0.05 -0.08 1.57 -2.45 -0.92 -4.97 119.30 108.76 2avg s MET 9 Ca -0.16 0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.42 2avg s MET 9 Cb 0.01 -0.05 -0.03 0.00 1.25 0.00 0.00 34.83 36.01 2avg s MET 9 CO 0.69 -0.06 -0.07 -0.98 1.05 0.00 0.00 175.02 175.65 2avg s ARG 10 N 0.39 2.90 0.65 4.11 3.03 -1.26 -0.79 118.95 127.98 2avg s ARG 10 Ca -0.03 -0.56 -0.15 0.00 2.03 0.00 0.00 55.73 57.02 2avg s ARG 10 Cb -0.04 -2.62 -0.01 0.00 -1.03 0.00 0.00 34.95 31.25 2avg s ARG 10 CO -0.01 0.58 1.09 -1.25 -1.13 0.00 0.00 175.30 174.57 2avg s PRO 11 N -0.57 2.94 0.49 3.89 0.05 -0.99 -4.93 135.00 135.88 2avg s PRO 11 Ca 0.09 1.29 0.02 0.00 0.05 0.00 0.00 61.00 62.45 2avg s PRO 11 Cb -0.12 -1.98 -0.02 0.00 0.05 0.00 0.00 34.50 32.43 2avg s PRO 11 CO 0.02 -1.12 0.01 -0.65 0.05 0.00 0.00 177.00 175.30 2avg s GLN 12 N -4.19 2.16 0.00 4.56 -1.52 -1.26 -4.64 119.66 114.77 2avg s GLN 12 Ca 0.65 -2.36 0.00 0.00 -1.95 0.00 0.00 55.36 51.70 2avg s GLN 12 Cb -0.18 -1.52 0.00 0.00 -0.22 0.00 0.00 33.01 31.08 2avg s GLN 12 CO 0.42 -0.32 0.00 -0.40 -0.25 0.00 0.00 175.29 174.73 2avg n ASP 13 N -1.22 0.00 0.00 5.90 5.75 -1.26 -4.69 116.55 121.02 2avg n ASP 13 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 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 1.67 4.05 3.21 6.12 0.00 -0.70 -4.84 105.19 114.69 2avg n GLY 14 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.54 2.63 0.24 1.61 2.02 -1.26 0.19 118.70 121.59 2avg s GLU 15 Ca 0.00 -1.14 0.06 0.00 0.02 0.00 0.00 54.97 53.91 2avg s GLU 15 Cb 0.00 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 2avg s GLU 15 CO 0.00 -0.55 -0.06 0.14 0.02 0.00 0.00 175.26 174.81 2avg s VAL 16 N 1.31 1.47 0.19 2.63 -7.23 0.12 -4.93 120.40 113.97 2avg s VAL 16 Ca -0.03 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.00 2avg s VAL 16 Cb -0.19 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 2avg s VAL 16 CO -0.01 -0.40 0.41 -0.89 -0.31 0.00 0.00 175.10 173.90 2avg s THR 17 N -3.13 5.16 -0.42 5.32 2.01 -1.26 0.15 115.64 123.46 2avg s THR 17 Ca 0.27 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.85 2avg s THR 17 Cb 0.03 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2avg s THR 17 CO 0.09 -0.12 1.94 -0.69 -0.69 0.00 0.00 174.62 175.15 2avg s VAL 18 N -1.83 3.33 0.00 3.82 1.01 -0.96 -1.33 120.40 124.45 2avg s VAL 18 Ca 0.40 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2avg s VAL 18 Cb -0.11 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2avg s VAL 18 CO 0.28 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.53 2avg n GLY 19 N 5.61 1.37 0.00 4.51 0.00 -1.26 -4.89 105.19 110.52 2avg n GLY 19 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.78 3.60 -0.02 0.00 -0.44 -4.82 105.19 104.29 2avg n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.62 0.26 -0.00 1.61 1.04 -1.26 0.12 113.70 114.85 2avg s SER 21 Ca 0.00 -1.15 -0.12 0.00 0.48 0.00 0.00 55.95 55.17 2avg s SER 21 Cb 0.00 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.80 2avg s SER 21 CO 0.00 -1.29 0.24 -0.51 0.98 0.00 0.00 173.24 172.65 2avg s ILE 22 N -3.40 0.07 -0.04 -1.02 1.10 0.18 -4.79 121.20 113.31 2avg s ILE 22 Ca 0.24 -0.59 -0.01 0.00 -0.51 0.00 0.00 60.65 59.78 2avg s ILE 22 Cb -0.01 -0.58 0.03 0.00 0.15 0.00 0.00 42.46 42.05 2avg s ILE 22 CO 0.13 -0.33 0.03 -0.89 -2.11 0.00 0.00 174.94 171.78 2avg s THR 23 N -1.48 0.07 0.07 4.00 2.01 -1.26 -1.64 115.64 117.41 2avg s THR 23 Ca -0.13 0.25 0.10 0.00 0.31 0.00 0.00 61.69 62.21 2avg s THR 23 Cb -0.06 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2avg s THR 23 CO 0.02 0.17 -0.27 -0.36 -0.69 0.00 0.00 174.62 173.50 2avg s PHE 24 N 1.67 2.32 -0.05 4.92 0.08 -1.16 -4.89 117.98 120.88 2avg s PHE 24 Ca -0.01 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 2avg s PHE 24 Cb -0.13 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2avg s PHE 24 CO -0.03 0.19 0.04 -1.12 -0.10 0.00 0.00 175.22 174.20 2avg s SER 25 N -1.49 1.26 -0.21 1.36 0.01 -1.26 0.47 113.70 113.84 2avg s SER 25 Ca 0.12 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.42 2avg s SER 25 Cb -0.10 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 65.92 2avg s SER 25 CO 0.03 -0.22 -0.16 0.00 0.41 0.00 0.00 173.24 173.29 2avg s ALA 26 N 2.05 2.40 -0.25 1.44 0.00 0.14 -2.36 121.76 125.19 2avg s ALA 26 Ca 0.04 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 2avg s ALA 26 Cb -0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 2avg s ALA 26 CO -0.04 -0.67 0.11 1.03 0.00 0.00 0.00 175.76 176.19 2avg s ARG 27 N 1.23 3.82 -0.09 0.00 0.52 0.03 0.02 118.95 124.48 2avg s ARG 27 Ca -0.00 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 2avg s ARG 27 Cb -0.16 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.90 2avg s ARG 27 CO -0.10 -0.10 -0.19 0.08 0.02 0.00 0.00 175.30 175.01 2avg s VAL 28 N 1.42 1.71 -0.27 3.52 1.01 -0.42 -1.45 120.40 125.92 2avg s VAL 28 Ca 0.06 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 2avg s VAL 28 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2avg s VAL 28 CO 0.05 0.48 1.90 0.00 0.00 0.00 0.00 175.10 177.53 2avg s ALA 29 N 0.52 2.90 0.32 5.51 0.00 -0.68 0.23 121.76 130.56 2avg s ALA 29 Ca -0.16 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.34 2avg s ALA 29 Cb -0.17 -4.01 0.80 0.00 0.00 0.00 0.00 23.12 19.75 2avg s ALA 29 CO 0.06 -2.56 1.78 0.78 0.00 0.00 0.00 175.76 175.82 2avg h GLY 30 N 13.73 1.67 -0.19 0.00 0.00 -1.03 -3.44 103.07 113.82 2avg h GLY 30 Ca -0.36 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 46.66 2avg h GLY 30 CO 1.00 -0.07 -0.03 0.00 0.00 0.00 0.00 176.54 177.44 2avg n ALA 31 N -2.36 -0.23 -0.15 3.60 0.00 -1.26 -4.55 120.51 115.56 2avg n ALA 31 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2avg n ALA 31 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2avg n ALA 31 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2avg n SER 32 N -3.18 0.00 -0.82 0.00 7.64 -1.26 -5.06 113.62 110.94 2avg n SER 32 Ca 0.00 0.58 0.08 0.00 1.01 0.00 0.00 58.87 60.54 2avg n SER 32 Cb 0.04 -0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 2avg n SER 32 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2avg n LEU 33 N -1.77 -0.65 -0.02 -3.43 -0.00 -1.26 -4.89 117.00 104.98 2avg n LEU 33 Ca 0.00 1.40 -0.00 0.00 -0.00 0.00 0.00 56.01 57.41 2avg n LEU 33 Cb 0.00 -1.62 -0.00 0.00 -0.00 0.00 0.00 43.42 41.80 2avg n LEU 33 CO 0.00 -1.05 -0.01 0.25 -0.00 0.00 0.00 177.39 176.58 2avg h LEU 34 N -0.62 0.00 -8.22 -1.96 5.85 -1.96 -3.48 115.31 104.92 2avg h LEU 34 Ca -0.09 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.00 2avg h LEU 34 Cb 0.73 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.43 2avg h LEU 34 CO 0.03 0.19 -0.86 -1.59 -0.34 0.00 0.00 178.44 175.88 2avg s LYS 35 N -1.22 2.59 0.02 1.25 0.00 -1.26 -5.09 119.74 116.03 2avg s LYS 35 Ca -0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 55.97 54.97 2avg s LYS 35 Cb 0.00 -2.00 -0.14 0.00 0.00 0.00 0.00 37.83 35.69 2avg s LYS 35 CO 0.01 0.13 0.70 -2.30 0.00 0.00 0.00 175.35 173.89 2avg n PRO 36 N 3.60 0.00 -1.59 1.78 -0.02 -1.26 -4.61 135.00 132.90 2avg n PRO 36 Ca -0.20 0.00 -0.49 0.00 -2.02 0.00 0.00 63.50 60.79 2avg n PRO 36 Cb 0.53 -1.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.94 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 1.02 1.25 -3.30 0.52 -0.02 -1.26 -4.88 135.00 128.32 2avg n PRO 37 Ca 0.14 0.45 -0.45 0.00 -2.02 0.00 0.00 63.50 61.62 2avg n PRO 37 Cb 0.08 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 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 -0.02 5.12 -0.32 -1.45 1.01 -0.70 -4.92 120.40 119.11 2avg s VAL 38 Ca 0.75 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2avg s VAL 38 Cb -0.85 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 31.29 2avg s VAL 38 CO 0.51 -0.74 0.15 -0.69 0.00 0.00 0.00 175.10 174.32 2avg s VAL 39 N 1.92 4.44 -0.20 2.92 1.01 -1.26 0.20 120.40 129.43 2avg s VAL 39 Ca 0.07 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2avg s VAL 39 Cb -0.25 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2avg s VAL 39 CO 0.07 -0.01 0.10 -1.59 0.00 0.00 0.00 175.10 173.66 2avg s LYS 40 N 1.57 4.05 0.40 2.72 0.00 -0.69 -4.94 119.74 122.85 2avg s LYS 40 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 55.97 55.58 2avg s LYS 40 Cb -0.18 -3.34 -0.07 0.00 0.00 0.00 0.00 37.83 34.24 2avg s LYS 40 CO 0.05 0.23 0.80 -1.58 0.00 0.00 0.00 175.35 174.85 2avg s TRP 41 N 0.53 3.43 -0.05 1.78 0.52 -1.26 -0.85 118.94 123.04 2avg s TRP 41 Ca 0.05 1.18 0.06 0.00 0.02 0.00 0.00 56.10 57.41 2avg s TRP 41 Cb -0.12 -2.53 -0.01 0.00 -1.15 0.00 0.00 33.47 29.65 2avg s TRP 41 CO 0.00 -0.09 -0.22 0.12 0.02 0.00 0.00 176.95 176.78 2avg s PHE 42 N -2.30 2.15 0.36 -1.98 5.36 0.30 -4.02 117.98 117.85 2avg s PHE 42 Ca 0.54 -0.61 0.07 0.00 -0.96 0.00 0.00 56.93 55.97 2avg s PHE 42 Cb -0.10 -1.42 -0.01 0.00 -0.34 0.00 0.00 43.02 41.15 2avg s PHE 42 CO 0.27 -0.18 0.40 0.21 -1.46 0.00 0.00 175.22 174.46 2avg s LYS 43 N -0.13 2.85 0.00 10.12 2.20 0.25 0.64 119.74 135.66 2avg s LYS 43 Ca -0.02 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 2avg s LYS 43 Cb -0.12 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 2avg s LYS 43 CO 0.03 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 2avg n GLY 44 N -1.56 0.00 0.32 5.54 0.00 -1.22 -2.28 105.19 105.99 2avg n GLY 44 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2avg n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2avg n LYS 45 N 0.00 0.03 0.00 1.61 2.85 -1.18 -3.20 118.16 118.27 2avg n LYS 45 Ca 0.00 0.89 0.00 0.00 -1.05 0.00 0.00 58.31 58.15 2avg n LYS 45 Cb 0.00 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 31.98 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2avg n TRP 46 N -2.43 0.00 -2.60 5.58 4.27 -1.25 -4.88 117.44 116.14 2avg n TRP 46 Ca 0.02 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.41 2avg n TRP 46 Cb 0.97 0.07 0.04 0.00 -1.36 0.00 0.00 31.31 31.04 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 2.61 0.17 -1.67 1.01 -0.97 -4.90 120.40 116.66 2avg s VAL 47 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2avg s VAL 47 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2avg s VAL 47 CO 0.00 0.00 -0.07 -0.62 0.00 0.00 0.00 175.10 174.41 2avg s ASP 48 N -4.44 4.40 -0.13 3.32 2.15 -1.26 0.85 116.67 121.55 2avg s ASP 48 Ca 0.58 -0.51 -0.06 0.00 0.43 0.00 0.00 52.55 52.99 2avg s ASP 48 Cb -0.10 -0.81 -0.25 0.00 -0.30 0.00 0.00 42.92 41.46 2avg s ASP 48 CO 0.39 0.11 0.31 0.18 -0.17 0.00 0.00 175.17 175.98 2avg n LEU 49 N 0.05 2.66 0.34 -1.34 4.32 -1.26 -4.25 117.00 117.53 2avg n LEU 49 Ca -0.11 0.18 0.23 0.00 -0.02 0.00 0.00 56.01 56.29 2avg n LEU 49 Cb 0.55 -1.09 1.22 0.00 -1.62 0.00 0.00 43.42 42.48 2avg n LEU 49 CO 0.36 0.86 1.19 -1.28 -1.22 0.00 0.00 177.39 177.30 2avg h SER 50 N 0.06 0.00 0.76 -1.43 0.87 -1.97 0.86 113.55 112.71 2avg h SER 50 Ca -0.44 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.89 2avg h SER 50 Cb 2.02 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.94 2avg h SER 50 CO 0.07 0.00 -1.35 -1.28 -0.53 0.00 0.00 176.83 173.74 2avg h SER 51 N 0.00 0.00 0.00 6.23 0.87 -1.98 -3.42 113.55 115.25 2avg h SER 51 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2avg h SER 51 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2avg h SER 51 CO -0.00 0.86 -0.72 0.29 -0.53 0.00 0.00 176.83 176.73 2avg n LYS 52 N -3.10 0.38 -0.07 2.24 4.76 0.27 -5.01 118.16 117.63 2avg n LYS 52 Ca -0.09 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2avg n LYS 52 Cb 0.95 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 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 -3.92 0.00 0.00 -0.18 0.31 0.56 -4.75 118.33 110.34 2avg n VAL 53 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2avg n VAL 53 Cb 0.38 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 0.15 1.91 0.26 2.92 0.00 0.41 -4.86 105.19 105.97 2avg n GLY 54 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 0.82 0.13 1.61 7.50 -1.97 -3.10 115.11 120.10 2avg h GLN 55 Ca 0.00 -0.41 -0.35 0.00 0.50 0.00 0.00 58.65 58.39 2avg h GLN 55 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2avg h GLN 55 CO 0.00 1.04 -1.85 1.25 -1.50 0.00 0.00 178.83 177.77 2avg h HIS 56 N 0.68 0.51 -3.35 2.96 -0.00 -1.92 -3.44 115.15 110.59 2avg h HIS 56 Ca 0.06 -0.37 -0.58 0.00 -0.00 0.00 0.00 60.37 59.48 2avg h HIS 56 Cb 0.92 -0.02 -0.39 0.00 -0.00 0.00 0.00 27.41 27.91 2avg h HIS 56 CO 0.05 1.64 -0.76 -1.17 -0.00 0.00 0.00 177.93 177.69 2avg s LEU 57 N -7.03 2.23 -0.35 0.26 0.20 -1.23 -1.73 118.68 111.03 2avg s LEU 57 Ca -0.17 -1.34 -0.18 0.00 0.69 0.00 0.00 54.13 53.13 2avg s LEU 57 Cb 0.06 -0.93 -0.00 0.00 -0.43 0.00 0.00 46.19 44.89 2avg s LEU 57 CO 0.81 -0.34 0.51 -1.10 -0.29 0.00 0.00 176.35 175.94 2avg s GLN 58 N 1.57 3.61 -0.78 1.98 1.11 0.12 0.16 119.66 127.43 2avg s GLN 58 Ca 0.03 -0.18 -0.16 0.00 0.01 0.00 0.00 55.36 55.06 2avg s GLN 58 Cb -0.18 -3.81 0.18 0.00 -1.01 0.00 0.00 33.01 28.19 2avg s GLN 58 CO -0.14 -0.65 0.78 -1.17 0.01 0.00 0.00 175.29 174.12 2avg s LEU 59 N 2.38 6.25 0.27 2.90 0.20 -1.26 0.87 118.68 130.28 2avg s LEU 59 Ca 0.18 -2.32 0.05 0.00 0.69 0.00 0.00 54.13 52.74 2avg s LEU 59 Cb -0.15 -2.25 -0.02 0.00 -0.43 0.00 0.00 46.19 43.33 2avg s LEU 59 CO 0.13 -0.76 0.39 -2.28 -0.29 0.00 0.00 176.35 173.54 2avg s HIS 60 N 1.06 3.35 -0.13 5.38 2.46 0.12 -4.89 115.29 122.65 2avg s HIS 60 Ca 0.17 -0.07 -0.00 0.00 0.47 0.00 0.00 55.06 55.63 2avg s HIS 60 Cb -0.14 -1.68 0.02 0.00 -0.13 0.00 0.00 32.58 30.66 2avg s HIS 60 CO -0.06 0.32 -0.09 0.16 -2.47 0.00 0.00 174.74 172.60 2avg s ASP 61 N -4.03 2.35 0.04 9.88 -4.77 -1.26 0.94 116.67 119.83 2avg s ASP 61 Ca 0.37 -0.37 -0.05 0.00 -3.30 0.00 0.00 52.55 49.20 2avg s ASP 61 Cb -0.09 -0.94 -0.05 0.00 -1.09 0.00 0.00 42.92 40.75 2avg s ASP 61 CO 0.29 -0.10 0.28 -0.44 0.70 0.00 0.00 175.17 175.90 2avg s SER 62 N 1.64 6.47 -0.32 2.11 0.01 0.35 -4.94 113.70 119.03 2avg s SER 62 Ca 0.05 0.52 -0.00 0.00 1.31 0.00 0.00 55.95 57.83 2avg s SER 62 Cb -0.13 -2.07 0.14 0.00 0.21 0.00 0.00 66.02 64.17 2avg s SER 62 CO -0.09 0.20 0.28 -0.47 0.41 0.00 0.00 173.24 173.57 2avg s TYR 63 N -1.40 -0.17 -0.37 2.43 5.04 -1.26 -0.53 117.35 121.09 2avg s TYR 63 Ca 0.31 -0.60 -0.00 0.00 -2.44 0.00 0.00 57.07 54.34 2avg s TYR 63 Cb -0.13 -0.57 0.10 0.00 0.35 0.00 0.00 41.96 41.71 2avg s TYR 63 CO 0.19 -0.91 0.13 -0.51 -1.34 0.00 0.00 175.55 173.11 2avg s ASP 64 N 1.96 5.05 0.03 4.32 1.01 -0.11 -4.97 116.67 123.95 2avg s ASP 64 Ca 0.12 -1.99 -0.19 0.00 0.71 0.00 0.00 52.55 51.19 2avg s ASP 64 Cb -0.16 -1.75 -0.18 0.00 1.01 0.00 0.00 42.92 41.85 2avg s ASP 64 CO -0.23 -0.46 1.23 -0.09 0.21 0.00 0.00 175.17 175.83 2avg h ARG 65 N 7.89 0.43 0.00 8.23 1.12 -1.95 0.29 114.38 130.40 2avg h ARG 65 Ca -0.11 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.43 2avg h ARG 65 Cb 1.04 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 2avg h ARG 65 CO 0.62 0.96 0.00 0.00 -3.11 0.00 0.00 179.97 178.44 2avg h ALA 66 N 0.48 1.00 0.00 2.80 0.00 -1.95 -1.22 119.26 120.37 2avg h ALA 66 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2avg h ALA 66 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2avg h ALA 66 CO 0.08 0.00 -0.84 0.43 0.00 0.00 0.00 179.25 178.92 2avg n SER 67 N -3.02 0.63 -1.14 0.00 7.64 -1.16 -4.95 113.62 111.63 2avg n SER 67 Ca 0.02 -0.24 -0.11 0.00 1.01 0.00 0.00 58.87 59.55 2avg n SER 67 Cb 0.38 0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 64.16 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 -1.83 -0.84 -4.21 1.43 3.00 0.72 -4.97 118.16 111.46 2avg n LYS 68 Ca 0.03 0.62 -0.23 0.00 -0.00 0.00 0.00 58.31 58.73 2avg n LYS 68 Cb 0.40 -4.69 -0.17 0.00 0.00 0.00 0.00 35.03 30.57 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 -2.51 0.83 -0.41 3.15 1.01 0.41 -0.35 120.40 122.53 2avg s VAL 69 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 2avg s VAL 69 Cb 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.59 2avg s VAL 69 CO 0.00 0.30 0.29 -0.31 0.00 0.00 0.00 175.10 175.38 2avg s TYR 70 N 1.11 3.25 -0.53 5.22 2.02 0.14 -0.94 117.35 127.61 2avg s TYR 70 Ca -0.07 -0.76 -0.20 0.00 -0.37 0.00 0.00 57.07 55.67 2avg s TYR 70 Cb -0.14 -2.63 0.06 0.00 -0.40 0.00 0.00 41.96 38.85 2avg s TYR 70 CO -0.01 -0.64 0.71 -1.17 -1.57 0.00 0.00 175.55 172.87 2avg s LEU 71 N 1.63 4.83 -0.38 -1.29 2.96 0.31 -1.30 118.68 125.44 2avg s LEU 71 Ca 0.04 -0.88 -0.26 0.00 -0.22 0.00 0.00 54.13 52.81 2avg s LEU 71 Cb -0.20 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.01 2avg s LEU 71 CO 0.08 -1.01 0.94 -0.36 -1.32 0.00 0.00 176.35 174.68 2avg s PHE 72 N 2.96 3.06 -0.17 5.38 0.08 0.10 0.13 117.98 129.52 2avg s PHE 72 Ca 0.18 0.74 0.00 0.00 0.12 0.00 0.00 56.93 57.97 2avg s PHE 72 Cb -0.18 -3.71 0.01 0.00 -0.57 0.00 0.00 43.02 38.56 2avg s PHE 72 CO 0.12 -0.87 -0.16 -1.83 -0.10 0.00 0.00 175.22 172.38 2avg s GLU 73 N 3.54 3.13 -0.10 0.44 -1.05 0.27 0.24 118.70 125.17 2avg s GLU 73 Ca 0.39 -0.78 -0.15 0.00 -0.15 0.00 0.00 54.97 54.28 2avg s GLU 73 Cb -0.12 -2.63 -0.05 0.00 -0.44 0.00 0.00 34.13 30.90 2avg s GLU 73 CO 0.20 -0.09 0.37 -0.51 0.95 0.00 0.00 175.26 176.18 2avg s LEU 74 N 1.05 4.32 -0.45 1.83 1.43 0.18 0.15 118.68 127.19 2avg s LEU 74 Ca -0.01 0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2avg s LEU 74 Cb -0.14 -2.52 0.12 0.00 0.03 0.00 0.00 46.19 43.68 2avg s LEU 74 CO -0.05 0.14 0.23 -1.00 0.23 0.00 0.00 176.35 175.90 2avg s HIS 75 N 0.04 3.54 -0.32 0.29 3.76 0.25 -2.99 115.29 119.85 2avg s HIS 75 Ca 0.21 -2.71 0.02 0.00 -0.15 0.00 0.00 55.06 52.43 2avg s HIS 75 Cb -0.15 -3.10 0.10 0.00 1.11 0.00 0.00 32.58 30.54 2avg s HIS 75 CO 0.08 -0.91 0.06 0.42 -0.85 0.00 0.00 174.74 173.54 2avg s ILE 76 N 0.64 1.73 0.41 0.60 1.01 -0.65 0.14 121.20 125.08 2avg s ILE 76 Ca 0.12 -1.94 0.08 0.00 0.00 0.00 0.00 60.65 58.91 2avg s ILE 76 Cb -0.22 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2avg s ILE 76 CO -0.04 -0.59 0.40 0.42 0.00 0.00 0.00 174.94 175.13 2avg s THR 77 N 1.19 2.85 -0.72 2.92 -4.23 -0.71 0.50 115.64 117.44 2avg s THR 77 Ca 0.09 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.30 2avg s THR 77 Cb -0.18 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2avg s THR 77 CO -0.14 -0.02 0.51 0.47 -0.54 0.00 0.00 174.62 174.89 2avg n ASP 78 N -1.58 -3.94 -4.68 3.99 8.00 0.12 -4.76 116.55 113.70 2avg n ASP 78 Ca 0.04 -0.85 -0.45 0.00 0.71 0.00 0.00 54.79 54.23 2avg n ASP 78 Cb 0.61 -1.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.34 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2avg n ALA 79 N -2.50 1.68 -1.68 2.24 0.00 -1.26 -4.74 120.51 114.25 2avg n ALA 79 Ca -0.26 0.36 -0.45 0.00 0.00 0.00 0.00 53.44 53.09 2avg n ALA 79 Cb 0.57 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 2avg n ALA 79 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2avg n GLN 80 N 4.92 2.24 0.20 0.00 -0.06 -1.26 -4.34 117.38 119.07 2avg n GLN 80 Ca 0.18 0.80 0.14 0.00 -2.00 0.00 0.00 57.00 56.12 2avg n GLN 80 Cb 0.32 -2.56 0.70 0.00 -4.06 0.00 0.00 30.24 24.65 2avg n GLN 80 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2avg h PRO 81 N 5.56 0.00 -0.50 3.69 0.13 -1.91 0.25 132.00 139.21 2avg h PRO 81 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 2avg h PRO 81 Cb 1.25 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 2avg h PRO 81 CO 0.86 0.00 0.12 0.00 -0.23 0.00 0.00 178.00 178.75 2avg n ALA 82 N -1.84 4.28 -0.07 -0.56 0.00 -1.26 -4.60 120.51 116.46 2avg n ALA 82 Ca -0.01 -2.78 -0.11 0.00 0.00 0.00 0.00 53.44 50.54 2avg n ALA 82 Cb 0.07 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 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 1.46 0.00 -3.64 0.00 0.04 -0.84 -3.48 116.94 110.49 2avg h PHE 83 Ca 0.25 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 2avg h PHE 83 Cb 1.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.08 2avg h PHE 83 CO 1.05 0.76 -0.10 2.41 -0.60 0.00 0.00 178.31 181.83 2avg n THR 84 N -4.64 -0.30 -3.12 -1.55 -1.04 -1.22 -3.08 114.28 99.33 2avg n THR 84 Ca -0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 2avg n THR 84 Cb 0.37 -0.28 -0.07 0.00 -1.82 0.00 0.00 70.33 68.54 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 -1.01 1.75 -0.91 3.41 0.00 0.19 -3.70 107.32 107.06 2avg s GLY 85 Ca 0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 2avg s GLY 85 CO 0.08 1.47 0.89 -0.32 0.00 0.00 0.00 173.10 175.22 2avg s GLY 86 N 1.77 2.71 0.13 0.20 0.00 -1.20 0.17 107.32 111.11 2avg s GLY 86 Ca 0.24 -3.38 -0.24 0.00 0.00 0.00 0.00 44.72 41.34 2avg s GLY 86 CO 0.14 1.36 0.72 -0.19 0.00 0.00 0.00 173.10 175.14 2avg s TYR 87 N 0.15 3.87 0.06 1.90 1.51 -0.40 -3.46 117.35 120.98 2avg s TYR 87 Ca 0.23 1.53 0.01 0.00 -1.01 0.00 0.00 57.07 57.83 2avg s TYR 87 Cb -0.09 -2.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.02 2avg s TYR 87 CO -0.09 0.52 -0.06 1.03 -1.11 0.00 0.00 175.55 175.85 2avg s ARG 88 N -1.06 0.63 -0.15 -0.62 0.52 0.21 -1.29 118.95 117.18 2avg s ARG 88 Ca 0.34 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2avg s ARG 88 Cb -0.22 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.16 2avg s ARG 88 CO 0.24 -0.02 -0.17 0.00 0.02 0.00 0.00 175.30 175.37 2avg s GLU 90 N 1.32 1.57 -0.07 0.00 2.02 -0.03 0.05 118.70 123.56 2avg s GLU 90 Ca 0.03 -1.39 -0.04 0.00 0.02 0.00 0.00 54.97 53.59 2avg s GLU 90 Cb -0.13 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 2avg s GLU 90 CO -0.10 -0.77 0.13 0.54 0.02 0.00 0.00 175.26 175.08 2avg s VAL 91 N 1.19 5.22 -0.23 2.63 0.11 -0.57 -1.70 120.40 127.06 2avg s VAL 91 Ca 0.02 -0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2avg s VAL 91 Cb -0.19 -3.33 0.07 0.00 -1.53 0.00 0.00 36.38 31.40 2avg s VAL 91 CO -0.09 0.49 0.03 -0.55 -3.33 0.00 0.00 175.10 171.65 2avg s SER 92 N -1.38 3.33 0.08 3.54 0.15 0.13 -3.20 113.70 116.36 2avg s SER 92 Ca 0.19 -1.06 0.04 0.00 0.70 0.00 0.00 55.95 55.82 2avg s SER 92 Cb -0.12 -0.77 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 2avg s SER 92 CO 0.09 -0.31 -0.10 -0.89 1.20 0.00 0.00 173.24 173.23 2avg s THR 93 N 1.71 0.88 0.00 6.45 2.01 -0.97 -1.73 115.64 123.99 2avg s THR 93 Ca -0.00 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.48 2avg s THR 93 Cb -0.17 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.12 2avg s THR 93 CO -0.11 -0.50 0.00 2.29 -0.69 0.00 0.00 174.62 175.61 2avg n LYS 94 N 0.77 0.00 0.00 4.92 -0.00 -1.26 -0.05 118.16 122.53 2avg n LYS 94 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2avg n LYS 94 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.60 2avg n LYS 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2avg n ASP 95 N 0.00 0.00 -4.71 -5.58 2.03 -1.26 -5.03 116.55 102.00 2avg n ASP 95 Ca 0.00 -1.00 -0.37 0.00 0.52 0.00 0.00 54.79 53.94 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 -0.75 -1.92 0.00 0.00 177.20 174.53 2avg s LYS 96 N 0.00 4.22 -0.05 -0.67 2.36 0.93 -1.10 119.74 125.42 2avg s LYS 96 Ca 0.00 0.06 0.02 0.00 -2.55 0.00 0.00 55.97 53.50 2avg s LYS 96 Cb 0.00 -3.46 0.01 0.00 -1.05 0.00 0.00 37.83 33.33 2avg s LYS 96 CO 0.00 0.16 -0.10 0.12 1.55 0.00 0.00 175.35 177.08 2avg s PHE 97 N 0.71 1.20 0.03 4.03 2.19 -1.26 -2.30 117.98 122.58 2avg s PHE 97 Ca 0.16 -0.38 -0.20 0.00 0.33 0.00 0.00 56.93 56.84 2avg s PHE 97 Cb -0.13 -0.88 0.04 0.00 -1.31 0.00 0.00 43.02 40.73 2avg s PHE 97 CO 0.04 -0.20 0.45 -0.51 1.83 0.00 0.00 175.22 176.83 2avg s ASP 98 N 0.51 -0.34 0.02 6.13 1.01 -1.19 -5.05 116.67 117.76 2avg s ASP 98 Ca -0.10 0.10 -0.07 0.00 0.71 0.00 0.00 52.55 53.19 2avg s ASP 98 Cb -0.13 0.44 -0.00 0.00 1.01 0.00 0.00 42.92 44.24 2avg s ASP 98 CO 0.02 -0.65 0.14 0.00 0.21 0.00 0.00 175.17 174.89 2avg s SER 100 N -1.76 1.55 -0.07 0.00 1.04 0.11 -4.94 113.70 109.63 2avg s SER 100 Ca -0.10 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.79 2avg s SER 100 Cb -0.04 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2avg s SER 100 CO -0.01 -0.05 -0.03 0.54 0.98 0.00 0.00 173.24 174.66 2avg s ASN 101 N -1.47 1.42 -0.08 7.02 6.03 -1.26 -1.85 114.94 124.76 2avg s ASN 101 Ca -0.02 -0.14 -0.03 0.00 -1.03 0.00 0.00 52.86 51.64 2avg s ASN 101 Cb -0.09 -0.52 0.04 0.00 -3.03 0.00 0.00 41.25 37.65 2avg s ASN 101 CO 0.02 -0.12 0.16 0.72 -2.03 0.00 0.00 177.10 175.85 2avg s PHE 102 N 1.44 -0.19 -0.13 1.54 -0.71 -0.41 -4.78 117.98 114.74 2avg s PHE 102 Ca -0.02 0.57 -0.05 0.00 -1.04 0.00 0.00 56.93 56.38 2avg s PHE 102 Cb -0.13 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2avg s PHE 102 CO -0.03 -0.21 0.07 -0.80 -1.34 0.00 0.00 175.22 172.90 2avg s ASN 103 N 1.59 5.77 -0.36 1.98 0.01 -1.26 -1.28 114.94 121.39 2avg s ASN 103 Ca -0.05 0.24 -0.10 0.00 -0.71 0.00 0.00 52.86 52.24 2avg s ASN 103 Cb -0.12 -1.83 0.03 0.00 0.41 0.00 0.00 41.25 39.74 2avg s ASN 103 CO -0.06 0.33 0.18 -0.22 -1.51 0.00 0.00 177.10 175.81 2avg s LEU 104 N -0.54 4.58 -0.67 0.60 2.96 0.46 -1.72 118.68 124.35 2avg s LEU 104 Ca 0.11 -1.00 -0.18 0.00 -0.22 0.00 0.00 54.13 52.84 2avg s LEU 104 Cb -0.12 -1.99 0.12 0.00 0.50 0.00 0.00 46.19 44.71 2avg s LEU 104 CO 0.02 -0.36 0.78 -0.89 -1.32 0.00 0.00 176.35 174.58 2avg s THR 105 N 1.52 4.91 -0.26 3.68 2.01 0.13 0.57 115.64 128.20 2avg s THR 105 Ca 0.01 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.46 2avg s THR 105 Cb -0.19 -4.53 0.01 0.00 0.01 0.00 0.00 72.50 67.79 2avg s THR 105 CO 0.06 -1.18 0.99 0.54 -0.69 0.00 0.00 174.62 174.34 2avg s VAL 106 N 2.37 4.69 -0.65 3.82 0.11 -1.25 -0.70 120.40 128.78 2avg s VAL 106 Ca 0.15 1.82 -0.20 0.00 -2.93 0.00 0.00 61.98 60.82 2avg s VAL 106 Cb -0.19 -4.28 0.09 0.00 -1.53 0.00 0.00 36.38 30.47 2avg s VAL 106 CO 0.02 -0.22 0.85 -1.00 -3.33 0.00 0.00 175.10 171.42 2avg s HIS 107 N 3.20 2.87 -0.26 1.54 3.76 0.38 -4.81 115.29 121.97 2avg s HIS 107 Ca 0.42 -0.82 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 2avg s HIS 107 Cb -0.14 -4.16 -0.02 0.00 1.11 0.00 0.00 32.58 29.36 2avg s HIS 107 CO 0.08 -1.47 1.62 -2.00 -0.85 0.00 0.00 174.74 172.13 2avg s GLU 108 N 3.28 3.69 -0.18 1.40 2.12 -1.26 -2.26 118.70 125.50 2avg s GLU 108 Ca 0.18 1.54 -0.04 0.00 0.36 0.00 0.00 54.97 57.01 2avg s GLU 108 Cb -0.19 -4.06 -0.02 0.00 0.26 0.00 0.00 34.13 30.12 2avg s GLU 108 CO 0.07 -1.42 -0.03 0.00 -0.54 0.00 0.00 175.26 173.33 2avg s ALA 109 N 5.51 2.94 -2.59 6.30 0.00 -1.26 -5.02 121.76 127.65 2avg s ALA 109 Ca 0.72 -0.93 0.21 0.00 0.00 0.00 0.00 51.96 51.95 2avg s ALA 109 Cb -0.23 -1.61 0.16 0.00 0.00 0.00 0.00 23.12 21.44 2avg s ALA 109 CO 0.30 0.01 1.15 -0.12 0.00 0.00 0.00 175.76 177.10