#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 5.58 -0.98 -2.24 -1.08 -1.26 -4.94 116.67 111.76 2avg s ASP 2 Ca 0.00 0.12 -0.20 0.00 -0.52 0.00 0.00 52.55 51.94 2avg s ASP 2 Cb 0.00 -1.58 -0.27 0.00 -1.46 0.00 0.00 42.92 39.61 2avg s ASP 2 CO 0.00 0.27 2.42 -0.81 0.52 0.00 0.00 175.17 177.57 2avg n PRO 3 N 1.19 0.05 0.07 4.34 -0.04 -1.26 -4.61 135.00 134.75 2avg n PRO 3 Ca -0.13 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2avg n PRO 3 Cb 0.53 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 6.60 0.76 -0.83 0.52 -0.00 -1.26 -4.96 119.36 120.19 2avg n ILE 4 Ca 0.65 0.25 0.00 0.00 -0.00 0.00 0.00 62.75 63.65 2avg n ILE 4 Cb 0.11 -1.19 0.00 0.00 -0.00 0.00 0.00 39.64 38.57 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 2.88 0.60 0.36 7.39 0.00 -1.26 -4.96 105.19 110.19 2avg n GLY 5 Ca 0.00 -0.32 -0.02 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 1.07 -7.79 0.99 5.85 -1.94 -3.25 115.31 110.23 2avg h LEU 6 Ca 0.00 -0.02 -0.74 0.00 0.84 0.00 0.00 57.88 57.96 2avg h LEU 6 Cb 0.44 -0.26 -0.20 0.00 0.37 0.00 0.00 40.66 41.01 2avg h LEU 6 CO 0.00 0.77 0.90 -0.36 -0.34 0.00 0.00 178.44 179.40 2avg s PHE 7 N -6.12 3.53 -0.05 1.25 0.40 -1.26 -2.76 117.98 112.98 2avg s PHE 7 Ca -0.13 -1.97 -0.24 0.00 -0.60 0.00 0.00 56.93 53.99 2avg s PHE 7 Cb 0.17 -4.17 -0.24 0.00 0.51 0.00 0.00 43.02 39.30 2avg s PHE 7 CO 0.81 -1.31 1.03 0.28 0.70 0.00 0.00 175.22 176.74 2avg h VAL 8 N 4.89 1.53 -2.95 -0.44 2.07 -1.45 -3.46 116.25 116.45 2avg h VAL 8 Ca 0.22 -1.96 -0.18 0.00 0.82 0.00 0.00 66.70 65.60 2avg h VAL 8 Cb 0.94 2.75 -0.29 0.00 -1.52 0.00 0.00 31.29 33.17 2avg h VAL 8 CO 1.10 0.54 -0.45 -0.32 0.02 0.00 0.00 177.57 178.47 2avg s MET 9 N -3.13 0.24 -0.15 1.57 -2.45 -0.88 -4.97 119.30 109.54 2avg s MET 9 Ca -0.16 0.58 -0.04 0.00 -1.25 0.00 0.00 55.69 54.82 2avg s MET 9 Cb 0.01 -0.10 -0.03 0.00 1.25 0.00 0.00 34.83 35.95 2avg s MET 9 CO 0.75 -0.16 0.00 -0.98 1.05 0.00 0.00 175.02 175.68 2avg s ARG 10 N 1.29 3.60 0.67 4.11 1.70 -1.26 -0.95 118.95 128.11 2avg s ARG 10 Ca -0.09 -0.43 -0.16 0.00 -0.47 0.00 0.00 55.73 54.57 2avg s ARG 10 Cb -0.10 -2.98 0.00 0.00 -0.57 0.00 0.00 34.95 31.30 2avg s ARG 10 CO -0.09 0.37 1.16 -1.25 -1.08 0.00 0.00 175.30 174.40 2avg s PRO 11 N 0.05 2.63 0.48 3.89 0.04 -1.11 -4.95 135.00 136.03 2avg s PRO 11 Ca 0.02 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2avg s PRO 11 Cb -0.13 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2avg s PRO 11 CO 0.02 -1.42 0.02 -0.65 0.04 0.00 0.00 177.00 175.00 2avg s GLN 12 N -3.85 2.12 0.00 4.56 -1.52 -1.26 -4.73 119.66 114.98 2avg s GLN 12 Ca 0.71 -2.33 0.00 0.00 -1.95 0.00 0.00 55.36 51.80 2avg s GLN 12 Cb -0.25 -1.44 0.00 0.00 -0.22 0.00 0.00 33.01 31.10 2avg s GLN 12 CO 0.40 -0.32 0.00 -0.40 -0.25 0.00 0.00 175.29 174.72 2avg n ASP 13 N -1.21 0.00 0.00 5.90 5.68 -1.26 -4.66 116.55 120.99 2avg n ASP 13 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 2avg n ASP 13 Cb 0.67 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2avg n GLY 14 N 2.01 4.21 3.14 6.12 0.00 -0.51 -4.86 105.19 115.30 2avg n GLY 14 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.19 2.57 0.18 1.61 2.02 -1.26 0.23 118.70 121.86 2avg s GLU 15 Ca 0.00 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 53.88 2avg s GLU 15 Cb 0.00 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 2avg s GLU 15 CO 0.00 -0.47 -0.03 0.14 0.02 0.00 0.00 175.26 174.92 2avg s VAL 16 N 1.23 0.92 0.31 2.63 -7.23 -0.39 -4.94 120.40 112.92 2avg s VAL 16 Ca -0.03 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 2avg s VAL 16 Cb -0.18 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2avg s VAL 16 CO -0.05 -0.50 0.52 -0.89 -0.31 0.00 0.00 175.10 173.86 2avg s THR 17 N -3.49 5.10 -0.42 5.32 2.01 -1.26 0.16 115.64 123.06 2avg s THR 17 Ca 0.23 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 2avg s THR 17 Cb 0.05 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2avg s THR 17 CO 0.04 -0.43 1.86 -0.69 -0.69 0.00 0.00 174.62 174.71 2avg s VAL 18 N -2.18 3.40 0.00 3.82 1.01 -0.57 -1.67 120.40 124.21 2avg s VAL 18 Ca 0.41 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2avg s VAL 18 Cb -0.10 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2avg s VAL 18 CO 0.33 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.52 2avg n GLY 19 N 5.54 1.32 0.00 4.51 0.00 -1.26 -4.97 105.19 110.34 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 0.51 3.55 -0.02 0.00 -0.67 -4.69 105.19 103.88 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 -0.13 -0.01 1.61 1.04 -1.26 0.43 113.70 114.39 2avg s SER 21 Ca 0.00 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.53 2avg s SER 21 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.71 2avg s SER 21 CO 0.00 -1.09 0.24 -0.51 0.98 0.00 0.00 173.24 172.86 2avg s ILE 22 N -3.97 0.07 -0.03 -1.02 1.10 0.17 -4.80 121.20 112.72 2avg s ILE 22 Ca 0.17 -0.54 -0.00 0.00 -0.51 0.00 0.00 60.65 59.76 2avg s ILE 22 Cb -0.01 -0.54 0.03 0.00 0.15 0.00 0.00 42.46 42.10 2avg s ILE 22 CO 0.04 -0.30 0.03 -0.89 -2.11 0.00 0.00 174.94 171.71 2avg s THR 23 N -1.31 0.00 0.07 4.00 2.01 -1.26 -1.96 115.64 117.20 2avg s THR 23 Ca -0.14 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.18 2avg s THR 23 Cb -0.06 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 2avg s THR 23 CO 0.03 0.13 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.51 2avg s PHE 24 N 1.35 1.92 -0.05 4.92 0.08 -1.16 -4.91 117.98 120.13 2avg s PHE 24 Ca -0.05 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2avg s PHE 24 Cb -0.13 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.25 2avg s PHE 24 CO -0.03 0.16 0.02 -1.12 -0.10 0.00 0.00 175.22 174.15 2avg s SER 25 N -1.54 1.18 -0.22 1.36 0.01 -1.26 0.11 113.70 113.34 2avg s SER 25 Ca 0.08 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.33 2avg s SER 25 Cb -0.09 -0.31 0.03 0.00 0.21 0.00 0.00 66.02 65.86 2avg s SER 25 CO 0.03 -0.18 -0.14 0.00 0.41 0.00 0.00 173.24 173.36 2avg s ALA 26 N 1.77 2.49 -0.27 1.44 0.00 0.43 -2.74 121.76 124.87 2avg s ALA 26 Ca 0.01 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 2avg s ALA 26 Cb -0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2avg s ALA 26 CO -0.04 -0.73 0.08 1.03 0.00 0.00 0.00 175.76 176.11 2avg s ARG 27 N 1.23 3.41 -0.10 0.00 0.52 -0.13 -0.39 118.95 123.50 2avg s ARG 27 Ca -0.01 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 2avg s ARG 27 Cb -0.16 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.94 2avg s ARG 27 CO -0.09 -0.31 -0.21 0.08 0.02 0.00 0.00 175.30 174.80 2avg s VAL 28 N 1.57 1.82 -0.22 3.52 1.01 -0.39 -2.06 120.40 125.65 2avg s VAL 28 Ca 0.05 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 2avg s VAL 28 Cb -0.16 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2avg s VAL 28 CO 0.03 0.51 2.23 0.00 0.00 0.00 0.00 175.10 177.87 2avg s ALA 29 N 0.53 2.71 0.26 5.51 0.00 -1.11 0.04 121.76 129.69 2avg s ALA 29 Ca -0.15 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 2avg s ALA 29 Cb -0.17 -4.08 0.44 0.00 0.00 0.00 0.00 23.12 19.31 2avg s ALA 29 CO 0.06 -2.82 1.84 0.78 0.00 0.00 0.00 175.76 175.62 2avg h GLY 30 N 15.15 1.44 -2.71 0.00 0.00 -0.50 -3.43 103.07 113.01 2avg h GLY 30 Ca -0.41 -0.39 0.33 0.00 0.00 0.00 0.00 47.33 46.87 2avg h GLY 30 CO 0.96 0.19 -0.44 0.00 0.00 0.00 0.00 176.54 177.25 2avg n ALA 31 N -2.36 -3.30 -1.05 3.60 0.00 -1.26 -4.33 120.51 111.81 2avg n ALA 31 Ca 0.15 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.93 2avg n ALA 31 Cb 0.27 -1.13 0.31 0.00 0.00 0.00 0.00 19.45 18.91 2avg n ALA 31 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2avg n SER 32 N -4.20 4.85 -3.81 0.00 3.41 -1.26 -5.02 113.62 107.59 2avg n SER 32 Ca 0.01 -3.21 -0.28 0.00 -0.26 0.00 0.00 58.87 55.13 2avg n SER 32 Cb 0.56 -0.73 0.25 0.00 -0.26 0.00 0.00 64.21 64.02 2avg n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2avg n LEU 33 N -0.12 -1.27 0.28 1.04 -0.00 -1.26 -4.96 117.00 110.71 2avg n LEU 33 Ca 0.39 -0.49 -0.15 0.00 -0.00 0.00 0.00 56.01 55.76 2avg n LEU 33 Cb 1.35 -1.03 -0.08 0.00 -0.00 0.00 0.00 43.42 43.66 2avg n LEU 33 CO 0.41 -3.81 0.52 0.25 -0.00 0.00 0.00 177.39 174.76 2avg h LEU 34 N -3.01 -0.60 -8.23 1.47 5.85 -1.95 -3.44 115.31 105.39 2avg h LEU 34 Ca -0.47 -0.05 -0.44 0.00 0.84 0.00 0.00 57.88 57.77 2avg h LEU 34 Cb 1.24 0.16 -0.26 0.00 0.37 0.00 0.00 40.66 42.17 2avg h LEU 34 CO 0.32 -0.28 -0.79 -1.59 -0.34 0.00 0.00 178.44 175.77 2avg s LYS 35 N -5.04 0.92 0.26 1.25 0.00 -1.26 -5.08 119.74 110.80 2avg s LYS 35 Ca -0.15 -0.60 -0.28 0.00 0.00 0.00 0.00 55.97 54.94 2avg s LYS 35 Cb 0.02 -0.90 -0.15 0.00 0.00 0.00 0.00 37.83 36.80 2avg s LYS 35 CO 0.52 0.23 0.81 -2.30 0.00 0.00 0.00 175.35 174.62 2avg n PRO 36 N 2.29 0.83 -1.74 1.78 -0.02 -1.26 -4.59 135.00 132.29 2avg n PRO 36 Ca -0.16 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2avg n PRO 36 Cb 0.55 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.50 2avg n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2avg n PRO 37 N 0.81 2.61 -3.37 0.52 -0.04 -1.26 -4.91 135.00 129.36 2avg n PRO 37 Ca 0.13 0.93 -0.45 0.00 -0.04 0.00 0.00 63.50 64.07 2avg n PRO 37 Cb 0.30 -2.69 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 2avg n PRO 37 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2avg s VAL 38 N -0.06 5.22 -0.31 0.52 0.11 -1.01 -4.91 120.40 119.95 2avg s VAL 38 Ca 0.64 -1.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.53 2avg s VAL 38 Cb -0.52 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.18 2avg s VAL 38 CO 0.49 -0.61 0.13 -0.69 -3.33 0.00 0.00 175.10 171.09 2avg s VAL 39 N 1.69 4.39 -0.23 2.04 1.01 -1.26 0.31 120.40 128.34 2avg s VAL 39 Ca 0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 2avg s VAL 39 Cb -0.24 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2avg s VAL 39 CO 0.07 0.04 0.13 -1.59 0.00 0.00 0.00 175.10 173.75 2avg s LYS 40 N 1.57 4.04 0.40 2.72 0.00 -0.77 -4.94 119.74 122.76 2avg s LYS 40 Ca 0.04 -0.29 -0.14 0.00 0.00 0.00 0.00 55.97 55.58 2avg s LYS 40 Cb -0.17 -3.46 -0.08 0.00 0.00 0.00 0.00 37.83 34.12 2avg s LYS 40 CO 0.05 0.11 0.81 -1.58 0.00 0.00 0.00 175.35 174.74 2avg s TRP 41 N 0.90 3.42 -0.01 1.78 0.52 -1.26 -1.30 118.94 122.98 2avg s TRP 41 Ca 0.07 1.23 0.04 0.00 0.02 0.00 0.00 56.10 57.46 2avg s TRP 41 Cb -0.13 -2.57 -0.01 0.00 -1.15 0.00 0.00 33.47 29.61 2avg s TRP 41 CO 0.03 -0.08 -0.14 0.12 0.02 0.00 0.00 176.95 176.90 2avg s PHE 42 N -2.25 1.25 0.34 -1.98 2.19 0.66 -4.17 117.98 114.02 2avg s PHE 42 Ca 0.55 -0.25 0.08 0.00 0.33 0.00 0.00 56.93 57.64 2avg s PHE 42 Cb -0.10 -0.81 -0.03 0.00 -1.31 0.00 0.00 43.02 40.77 2avg s PHE 42 CO 0.24 -0.03 0.27 0.21 1.83 0.00 0.00 175.22 177.74 2avg s LYS 43 N -0.29 2.67 0.00 10.12 2.20 0.16 -0.45 119.74 134.15 2avg s LYS 43 Ca 0.05 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2avg s LYS 43 Cb -0.06 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 2avg s LYS 43 CO -0.00 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 2avg n GLY 44 N -1.33 0.00 0.00 5.54 0.00 -1.23 -2.22 105.19 105.94 2avg n GLY 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2avg n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2avg n LYS 45 N 0.00 0.00 0.00 1.61 5.02 -0.31 -3.16 118.16 121.32 2avg n LYS 45 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2avg n LYS 45 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2avg n TRP 46 N -0.75 0.00 -2.62 2.13 4.27 -1.24 -4.96 117.44 114.27 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 0.14 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.13 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 2.82 0.17 -1.67 1.01 -0.94 -4.91 120.40 116.89 2avg s VAL 47 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.48 2avg s VAL 47 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2avg s VAL 47 CO 0.00 -0.06 0.01 1.51 0.00 0.00 0.00 175.10 176.56 2avg s ASP 48 N -4.41 4.82 -0.13 3.32 -4.77 -1.26 0.37 116.67 114.61 2avg s ASP 48 Ca 0.56 -0.38 0.10 0.00 -3.30 0.00 0.00 52.55 49.54 2avg s ASP 48 Cb -0.10 -1.04 -0.23 0.00 -1.09 0.00 0.00 42.92 40.45 2avg s ASP 48 CO 0.39 0.09 0.33 0.18 0.70 0.00 0.00 175.17 176.86 2avg n LEU 49 N -0.14 1.10 0.24 2.11 4.32 -1.26 -4.00 117.00 119.37 2avg n LEU 49 Ca -0.10 0.19 0.16 0.00 -0.02 0.00 0.00 56.01 56.25 2avg n LEU 49 Cb 0.55 -0.04 0.86 0.00 -1.62 0.00 0.00 43.42 43.17 2avg n LEU 49 CO 0.39 0.55 1.14 -1.28 -1.22 0.00 0.00 177.39 176.97 2avg h SER 50 N 0.01 0.00 0.00 -1.43 0.87 -1.96 -0.40 113.55 110.63 2avg h SER 50 Ca -0.42 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.82 2avg h SER 50 Cb 2.08 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.98 2avg h SER 50 CO 0.05 0.00 -2.18 -1.20 -0.53 0.00 0.00 176.83 172.96 2avg n SER 51 N -3.84 2.26 0.08 6.23 7.64 -1.26 -4.75 113.62 119.99 2avg n SER 51 Ca -0.00 -0.05 -0.13 0.00 1.01 0.00 0.00 58.87 59.70 2avg n SER 51 Cb 0.23 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.12 -0.20 -0.98 1.43 6.56 -1.36 -3.44 116.57 118.45 2avg h LYS 52 Ca -0.48 0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.03 2avg h LYS 52 Cb 1.68 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 33.37 2avg h LYS 52 CO -0.11 0.13 0.33 0.28 -2.06 0.00 0.00 179.45 178.02 2avg n VAL 53 N -5.03 0.00 0.00 0.50 0.31 -0.28 -4.64 118.33 109.18 2avg n VAL 53 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2avg n VAL 53 Cb 0.23 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 1.27 2.17 0.36 2.92 0.00 0.25 -4.82 105.19 107.35 2avg n GLY 54 Ca 0.12 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 0.77 0.06 1.61 1.08 -1.96 -2.73 115.11 113.94 2avg h GLN 55 Ca 0.00 -0.05 -0.37 0.00 -1.45 0.00 0.00 58.65 56.78 2avg h GLN 55 Cb 0.00 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.21 2avg h GLN 55 CO 0.00 0.51 -2.22 -2.39 -0.95 0.00 0.00 178.83 173.78 2avg n HIS 56 N -4.50 0.63 -3.78 2.96 1.44 -1.26 -4.78 115.22 105.93 2avg n HIS 56 Ca 0.13 0.14 -0.29 0.00 -2.01 0.00 0.00 57.72 55.70 2avg n HIS 56 Cb 0.30 -1.08 -0.16 0.00 0.12 0.00 0.00 29.99 29.16 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 -6.68 1.73 -0.33 2.39 2.96 -1.14 0.04 118.68 117.67 2avg s LEU 57 Ca -0.26 -1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 52.38 2avg s LEU 57 Cb 0.08 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 2avg s LEU 57 CO 0.70 -0.31 0.51 -1.10 -1.32 0.00 0.00 176.35 174.83 2avg s GLN 58 N 1.70 3.74 -0.83 1.98 1.11 0.91 0.87 119.66 129.15 2avg s GLN 58 Ca 0.00 -0.04 -0.19 0.00 0.01 0.00 0.00 55.36 55.14 2avg s GLN 58 Cb -0.18 -3.77 0.12 0.00 -1.01 0.00 0.00 33.01 28.18 2avg s GLN 58 CO -0.11 -0.57 1.02 -1.17 0.01 0.00 0.00 175.29 174.47 2avg s LEU 59 N 2.37 5.06 0.56 2.90 0.20 -1.26 0.09 118.68 128.61 2avg s LEU 59 Ca 0.19 -1.79 -0.06 0.00 0.69 0.00 0.00 54.13 53.16 2avg s LEU 59 Cb -0.15 -2.38 -0.01 0.00 -0.43 0.00 0.00 46.19 43.22 2avg s LEU 59 CO 0.12 -1.12 0.88 -1.00 -0.29 0.00 0.00 176.35 174.94 2avg s HIS 60 N 2.81 3.37 -0.07 5.38 3.76 0.22 -4.88 115.29 125.89 2avg s HIS 60 Ca 0.27 0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 55.90 2avg s HIS 60 Cb -0.10 -2.61 0.04 0.00 1.11 0.00 0.00 32.58 31.02 2avg s HIS 60 CO -0.03 -0.66 0.10 0.16 -0.85 0.00 0.00 174.74 173.46 2avg s ASP 61 N -4.24 1.10 0.05 1.40 -4.77 -1.26 -0.26 116.67 108.70 2avg s ASP 61 Ca 0.52 0.11 0.01 0.00 -3.30 0.00 0.00 52.55 49.89 2avg s ASP 61 Cb -0.10 0.02 -0.04 0.00 -1.09 0.00 0.00 42.92 41.70 2avg s ASP 61 CO 0.46 -0.26 0.12 -0.44 0.70 0.00 0.00 175.17 175.75 2avg s SER 62 N 2.22 5.84 -0.31 2.11 0.01 0.26 -4.94 113.70 118.90 2avg s SER 62 Ca 0.04 0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.40 2avg s SER 62 Cb -0.12 -1.68 0.12 0.00 0.21 0.00 0.00 66.02 64.55 2avg s SER 62 CO -0.05 0.20 0.20 -0.47 0.41 0.00 0.00 173.24 173.53 2avg s TYR 63 N -1.38 0.16 -0.21 2.43 5.04 -1.26 -1.24 117.35 120.89 2avg s TYR 63 Ca 0.30 -0.85 -0.00 0.00 -2.44 0.00 0.00 57.07 54.07 2avg s TYR 63 Cb -0.12 -0.76 0.02 0.00 0.35 0.00 0.00 41.96 41.45 2avg s TYR 63 CO 0.22 -0.86 -0.14 0.34 -1.34 0.00 0.00 175.55 173.77 2avg s ASP 64 N 1.91 3.69 0.02 4.32 -1.08 -0.59 -4.98 116.67 119.95 2avg s ASP 64 Ca 0.11 -0.71 -0.05 0.00 -0.52 0.00 0.00 52.55 51.38 2avg s ASP 64 Cb -0.17 -1.57 -0.29 0.00 -1.46 0.00 0.00 42.92 39.43 2avg s ASP 64 CO -0.26 -0.04 0.92 -0.09 0.52 0.00 0.00 175.17 176.21 2avg h ARG 65 N 7.97 0.30 0.00 4.34 1.12 -1.93 0.28 114.38 126.46 2avg h ARG 65 Ca -0.40 -0.50 -0.04 0.00 -1.11 0.00 0.00 59.98 57.92 2avg h ARG 65 Cb 1.13 0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 31.27 2avg h ARG 65 CO 0.60 1.19 -0.19 0.00 -3.11 0.00 0.00 179.97 178.46 2avg h ALA 66 N 0.45 1.31 0.00 2.80 0.00 -1.96 -0.81 119.26 121.05 2avg h ALA 66 Ca -0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2avg h ALA 66 Cb 2.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2avg h ALA 66 CO 0.18 0.24 -1.61 0.43 0.00 0.00 0.00 179.25 178.50 2avg n SER 67 N -3.76 0.33 -1.79 0.00 7.64 -1.24 -4.98 113.62 109.82 2avg n SER 67 Ca -0.02 0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.79 2avg n SER 67 Cb 0.30 1.42 0.01 0.00 -1.01 0.00 0.00 64.21 64.93 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2avg n LYS 68 N -2.35 -2.12 -4.40 1.43 4.81 0.41 -4.96 118.16 110.98 2avg n LYS 68 Ca -0.02 0.63 -0.26 0.00 -0.87 0.00 0.00 58.31 57.79 2avg n LYS 68 Cb 0.55 -4.86 -0.17 0.00 0.02 0.00 0.00 35.03 30.58 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 -2.81 1.20 -0.43 3.15 1.01 0.71 0.28 120.40 123.50 2avg s VAL 69 Ca 0.10 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2avg s VAL 69 Cb -0.04 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.25 2avg s VAL 69 CO 0.12 0.38 0.36 -0.31 0.00 0.00 0.00 175.10 175.65 2avg s TYR 70 N 0.98 3.22 -0.48 5.22 2.02 0.11 -1.55 117.35 126.87 2avg s TYR 70 Ca -0.08 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 55.83 2avg s TYR 70 Cb -0.15 -2.81 0.06 0.00 -0.40 0.00 0.00 41.96 38.67 2avg s TYR 70 CO -0.00 -0.67 0.46 -1.17 -1.57 0.00 0.00 175.55 172.59 2avg s LEU 71 N 1.79 5.38 -0.38 -1.29 2.96 -0.37 -1.27 118.68 125.50 2avg s LEU 71 Ca 0.06 -1.16 -0.25 0.00 -0.22 0.00 0.00 54.13 52.57 2avg s LEU 71 Cb -0.20 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2avg s LEU 71 CO 0.10 -0.70 0.87 -0.36 -1.32 0.00 0.00 176.35 174.94 2avg s PHE 72 N 1.94 3.06 -0.23 5.38 0.08 0.48 0.93 117.98 129.61 2avg s PHE 72 Ca 0.07 0.62 -0.06 0.00 0.12 0.00 0.00 56.93 57.68 2avg s PHE 72 Cb -0.22 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.58 2avg s PHE 72 CO 0.09 -0.85 0.04 -1.21 -0.10 0.00 0.00 175.22 173.19 2avg s GLU 73 N 3.39 3.61 -0.16 0.44 2.02 0.64 -0.43 118.70 128.21 2avg s GLU 73 Ca 0.35 -0.51 -0.19 0.00 0.02 0.00 0.00 54.97 54.65 2avg s GLU 73 Cb -0.12 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 2avg s GLU 73 CO 0.19 -0.14 0.53 -0.51 0.02 0.00 0.00 175.26 175.36 2avg s LEU 74 N 1.44 4.21 -0.46 1.80 2.01 0.12 0.70 118.68 128.49 2avg s LEU 74 Ca 0.05 0.78 0.01 0.00 0.01 0.00 0.00 54.13 54.99 2avg s LEU 74 Cb -0.15 -2.75 0.12 0.00 0.01 0.00 0.00 46.19 43.42 2avg s LEU 74 CO 0.02 -0.12 0.22 -1.00 1.01 0.00 0.00 176.35 176.48 2avg s HIS 75 N 1.23 3.49 -0.33 0.29 3.76 0.11 -3.01 115.29 120.84 2avg s HIS 75 Ca 0.26 -2.87 0.03 0.00 -0.15 0.00 0.00 55.06 52.33 2avg s HIS 75 Cb -0.15 -3.02 0.10 0.00 1.11 0.00 0.00 32.58 30.62 2avg s HIS 75 CO 0.11 -0.87 0.05 0.42 -0.85 0.00 0.00 174.74 173.59 2avg s ILE 76 N 0.42 2.06 0.28 0.60 1.01 -0.83 -0.06 121.20 124.69 2avg s ILE 76 Ca 0.13 -2.17 0.09 0.00 0.00 0.00 0.00 60.65 58.70 2avg s ILE 76 Cb -0.22 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2avg s ILE 76 CO -0.04 -0.59 0.05 0.42 0.00 0.00 0.00 174.94 174.79 2avg s THR 77 N 1.02 3.48 -1.21 2.92 -4.23 0.11 0.46 115.64 118.19 2avg s THR 77 Ca 0.10 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.62 2avg s THR 77 Cb -0.19 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 70.71 2avg s THR 77 CO -0.10 -0.33 0.70 0.47 -0.54 0.00 0.00 174.62 174.81 2avg n ASP 78 N -0.99 -4.07 -4.69 3.99 8.00 0.17 -4.73 116.55 114.24 2avg n ASP 78 Ca -0.06 -1.05 -0.52 0.00 0.71 0.00 0.00 54.79 53.87 2avg n ASP 78 Cb 0.59 -3.09 -0.06 0.00 -0.02 0.00 0.00 41.12 38.55 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 -4.35 0.52 -1.76 2.24 0.00 -1.26 -4.56 120.51 111.34 2avg n ALA 79 Ca -0.14 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 2avg n ALA 79 Cb 0.61 -2.41 0.03 0.00 0.00 0.00 0.00 19.45 17.67 2avg n ALA 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2avg s GLN 80 N 3.98 3.50 0.00 0.00 2.00 -1.26 -4.01 119.66 123.87 2avg s GLN 80 Ca 0.95 2.39 0.05 0.00 -2.00 0.00 0.00 55.36 56.76 2avg s GLN 80 Cb -0.82 -2.53 0.30 0.00 0.80 0.00 0.00 33.01 30.75 2avg s GLN 80 CO 0.57 -0.96 0.93 -0.35 -0.50 0.00 0.00 175.29 174.97 2avg n PRO 81 N -0.46 0.12 -0.20 1.67 -0.04 -1.26 0.15 135.00 134.98 2avg n PRO 81 Ca 0.07 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 2avg n PRO 81 Cb 0.43 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.42 1.04 0.55 0.00 -1.26 -4.49 120.51 117.60 2avg n ALA 82 Ca 0.03 -1.87 0.11 0.00 0.00 0.00 0.00 53.44 51.72 2avg n ALA 82 Cb 0.03 -0.42 0.11 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.53 0.00 0.00 0.00 3.01 0.12 -4.46 117.46 115.61 2avg n PHE 83 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2avg n PHE 83 Cb 0.59 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 2avg n PHE 83 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2avg n THR 84 N -1.21 0.00 -1.11 4.37 -1.04 -1.25 -3.44 114.28 110.60 2avg n THR 84 Ca 0.06 0.00 -0.52 0.00 -2.04 0.00 0.00 64.05 61.55 2avg n THR 84 Cb 0.35 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.76 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 -0.10 2.66 3.41 0.00 0.42 -1.16 105.19 110.42 2avg n GLY 85 Ca 0.00 0.95 -0.24 0.00 0.00 0.00 0.00 46.02 46.73 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 6.17 4.87 3.69 -0.02 0.00 -1.19 -1.81 105.19 116.89 2avg n GLY 86 Ca 0.45 -2.38 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.08 3.55 -0.10 1.61 1.51 -1.05 -3.54 117.35 116.26 2avg s TYR 87 Ca 0.46 1.61 -0.00 0.00 -1.01 0.00 0.00 57.07 58.12 2avg s TYR 87 Cb 0.30 -3.16 0.02 0.00 -0.11 0.00 0.00 41.96 39.02 2avg s TYR 87 CO -0.12 -0.16 -0.06 0.50 -1.11 0.00 0.00 175.55 174.60 2avg s ARG 88 N 1.71 1.33 -0.27 -0.62 3.52 0.40 -2.32 118.95 122.70 2avg s ARG 88 Ca 0.49 -0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.78 2avg s ARG 88 Cb -0.19 -1.42 -0.05 0.00 -1.56 0.00 0.00 34.95 31.73 2avg s ARG 88 CO 0.21 -0.25 0.25 0.00 -0.81 0.00 0.00 175.30 174.70 2avg s GLU 90 N 1.78 1.75 -0.08 0.00 2.02 -0.42 -0.07 118.70 123.68 2avg s GLU 90 Ca 0.10 -1.49 -0.12 0.00 0.02 0.00 0.00 54.97 53.48 2avg s GLU 90 Cb -0.16 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 2avg s GLU 90 CO 0.10 -0.75 0.30 0.54 0.02 0.00 0.00 175.26 175.47 2avg s VAL 91 N 1.10 5.25 -0.21 2.63 0.11 -0.56 -1.85 120.40 126.87 2avg s VAL 91 Ca 0.01 0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 59.62 2avg s VAL 91 Cb -0.19 -3.60 0.06 0.00 -1.53 0.00 0.00 36.38 31.12 2avg s VAL 91 CO -0.08 0.54 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.67 2avg s SER 92 N -0.62 3.30 0.36 3.54 0.15 0.15 -3.16 113.70 117.42 2avg s SER 92 Ca 0.19 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 55.92 2avg s SER 92 Cb -0.14 -0.88 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 2avg s SER 92 CO 0.08 -0.26 0.09 -0.89 1.20 0.00 0.00 173.24 173.46 2avg s THR 93 N 1.63 0.90 0.00 6.45 2.01 -0.71 -2.40 115.64 123.51 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 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.76 2avg s THR 93 CO -0.07 0.00 0.00 2.29 -0.69 0.00 0.00 174.62 176.15 2avg n LYS 94 N -0.78 0.00 0.00 4.92 -0.00 -1.26 -2.32 118.16 118.71 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 -1.05 0.00 -4.70 -5.58 2.03 -1.26 -5.04 116.55 100.94 2avg n ASP 95 Ca 0.00 -0.94 -0.38 0.00 0.52 0.00 0.00 54.79 53.99 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 4.27 -0.05 -0.67 2.36 -0.98 -1.39 119.74 123.27 2avg s LYS 96 Ca 0.00 0.31 0.02 0.00 -2.55 0.00 0.00 55.97 53.75 2avg s LYS 96 Cb 0.00 -3.47 0.01 0.00 -1.05 0.00 0.00 37.83 33.32 2avg s LYS 96 CO 0.00 0.09 -0.10 0.12 1.55 0.00 0.00 175.35 177.02 2avg s PHE 97 N 0.87 1.19 0.00 4.03 2.19 -1.26 -1.74 117.98 123.26 2avg s PHE 97 Ca 0.22 -0.40 -0.12 0.00 0.33 0.00 0.00 56.93 56.96 2avg s PHE 97 Cb -0.15 -0.91 0.01 0.00 -1.31 0.00 0.00 43.02 40.67 2avg s PHE 97 CO 0.08 -0.23 0.25 -0.51 1.83 0.00 0.00 175.22 176.64 2avg s ASP 98 N 0.67 -0.10 -0.06 6.13 1.01 -1.19 -5.01 116.67 118.11 2avg s ASP 98 Ca -0.12 -0.09 -0.16 0.00 0.71 0.00 0.00 52.55 52.89 2avg s ASP 98 Cb -0.15 0.29 0.03 0.00 1.01 0.00 0.00 42.92 44.10 2avg s ASP 98 CO 0.02 -0.46 0.38 0.00 0.21 0.00 0.00 175.17 175.32 2avg s SER 100 N -0.79 2.23 -0.12 0.00 1.04 0.90 -4.96 113.70 112.00 2avg s SER 100 Ca -0.09 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 2avg s SER 100 Cb -0.04 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.95 2avg s SER 100 CO 0.04 0.09 -0.06 0.54 0.98 0.00 0.00 173.24 174.83 2avg s ASN 101 N -1.35 2.24 -0.06 7.02 6.03 -1.26 -1.61 114.94 125.94 2avg s ASN 101 Ca 0.05 -0.35 -0.03 0.00 -1.03 0.00 0.00 52.86 51.51 2avg s ASN 101 Cb -0.09 -0.80 0.04 0.00 -3.03 0.00 0.00 41.25 37.37 2avg s ASN 101 CO 0.02 -0.14 0.13 0.72 -2.03 0.00 0.00 177.10 175.80 2avg s PHE 102 N 1.73 -0.14 -0.14 1.54 -0.71 -0.98 -4.80 117.98 114.47 2avg s PHE 102 Ca 0.04 0.46 -0.07 0.00 -1.04 0.00 0.00 56.93 56.32 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 -0.08 -0.17 0.09 -0.80 -1.34 0.00 0.00 175.22 172.92 2avg s ASN 103 N 1.31 5.91 -0.40 1.98 0.01 -1.25 -2.52 114.94 119.98 2avg s ASN 103 Ca -0.08 0.25 -0.10 0.00 -0.71 0.00 0.00 52.86 52.23 2avg s ASN 103 Cb -0.12 -1.93 0.06 0.00 0.41 0.00 0.00 41.25 39.67 2avg s ASN 103 CO -0.06 0.30 0.24 -0.22 -1.51 0.00 0.00 177.10 175.85 2avg s LEU 104 N -0.37 4.96 -0.80 0.60 2.96 -0.75 -1.43 118.68 123.84 2avg s LEU 104 Ca 0.10 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.54 2avg s LEU 104 Cb -0.12 -2.01 0.09 0.00 0.50 0.00 0.00 46.19 44.66 2avg s LEU 104 CO 0.02 -0.47 1.07 -0.89 -1.32 0.00 0.00 176.35 174.76 2avg s THR 105 N 1.49 4.45 -0.37 3.68 2.01 0.14 0.16 115.64 127.19 2avg s THR 105 Ca 0.02 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 2avg s THR 105 Cb -0.21 -4.76 0.01 0.00 0.01 0.00 0.00 72.50 67.55 2avg s THR 105 CO 0.04 -1.52 1.29 0.54 -0.69 0.00 0.00 174.62 174.28 2avg s VAL 106 N 3.59 4.10 -0.79 3.82 0.11 -1.25 -1.26 120.40 128.73 2avg s VAL 106 Ca 0.28 1.19 -0.25 0.00 -2.93 0.00 0.00 61.98 60.27 2avg s VAL 106 Cb -0.10 -4.28 0.05 0.00 -1.53 0.00 0.00 36.38 30.51 2avg s VAL 106 CO 0.00 -0.68 1.24 -1.00 -3.33 0.00 0.00 175.10 171.34 2avg s HIS 107 N 4.69 2.44 0.25 1.54 3.76 0.43 -4.75 115.29 123.66 2avg s HIS 107 Ca 0.55 -0.36 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 2avg s HIS 107 Cb -0.13 -4.56 0.31 0.00 1.11 0.00 0.00 32.58 29.30 2avg s HIS 107 CO 0.27 -1.94 1.67 1.49 -0.85 0.00 0.00 174.74 175.38 2avg h GLU 108 N 9.84 0.59 -6.05 1.40 4.81 -1.90 -1.53 114.58 121.74 2avg h GLU 108 Ca -0.17 -0.24 -0.26 0.00 -0.13 0.00 0.00 59.36 58.57 2avg h GLU 108 Cb 1.05 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.41 2avg h GLU 108 CO 1.28 0.80 -0.58 0.00 -0.73 0.00 0.00 179.01 179.78 2avg n ALA 109 N -2.49 -2.64 0.69 2.92 0.00 -1.26 -4.89 120.51 112.83 2avg n ALA 109 Ca -0.00 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.38 2avg n ALA 109 Cb 0.43 -1.49 0.07 0.00 0.00 0.00 0.00 19.45 18.45 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38