#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 4.23 -1.16 -2.24 1.01 -1.26 -4.91 116.67 112.33 2avg s ASP 2 Ca 0.00 0.40 -0.23 0.00 0.71 0.00 0.00 52.55 53.44 2avg s ASP 2 Cb 0.00 -0.82 -0.08 0.00 1.01 0.00 0.00 42.92 43.03 2avg s ASP 2 CO 0.00 -2.01 1.94 -2.16 0.21 0.00 0.00 175.17 173.14 2avg s PRO 3 N -5.50 2.50 0.00 8.23 0.04 -1.26 -4.51 135.00 134.50 2avg s PRO 3 Ca 0.65 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2avg s PRO 3 Cb -0.08 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2avg s PRO 3 CO 0.48 -3.93 0.00 -0.89 0.04 0.00 0.00 177.00 172.70 2avg n ILE 4 N 7.82 0.00 -1.00 0.56 -0.00 -1.26 -5.03 119.36 120.45 2avg n ILE 4 Ca 0.44 0.26 0.00 0.00 -0.00 0.00 0.00 62.75 63.45 2avg n ILE 4 Cb 0.47 -1.25 0.00 0.00 -0.00 0.00 0.00 39.64 38.86 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 2.45 0.51 0.35 7.39 0.00 -1.26 -4.97 105.19 109.66 2avg n GLY 5 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.86 2avg n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2avg h LEU 6 N 0.00 0.78 -7.90 0.99 5.85 -1.94 -3.04 115.31 110.06 2avg h LEU 6 Ca 0.00 0.09 -0.69 0.00 0.84 0.00 0.00 57.88 58.12 2avg h LEU 6 Cb 0.51 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.35 2avg h LEU 6 CO 0.00 0.30 1.36 -0.36 -0.34 0.00 0.00 178.44 179.40 2avg s PHE 7 N -5.88 3.08 0.10 1.25 0.40 -1.26 -0.92 117.98 114.74 2avg s PHE 7 Ca -0.11 -1.57 -0.15 0.00 -0.60 0.00 0.00 56.93 54.50 2avg s PHE 7 Cb 0.24 -4.45 -0.08 0.00 0.51 0.00 0.00 43.02 39.24 2avg s PHE 7 CO 0.80 -1.60 1.44 0.28 0.70 0.00 0.00 175.22 176.84 2avg h VAL 8 N 5.59 1.30 -2.86 -0.44 2.07 -1.05 -3.44 116.25 117.41 2avg h VAL 8 Ca 0.27 -1.38 -0.16 0.00 0.82 0.00 0.00 66.70 66.25 2avg h VAL 8 Cb 0.95 1.53 -0.28 0.00 -1.52 0.00 0.00 31.29 31.97 2avg h VAL 8 CO 1.27 0.44 -0.40 -0.32 0.02 0.00 0.00 177.57 178.58 2avg s MET 9 N -4.45 0.29 -0.18 1.57 -2.45 -1.07 -4.98 119.30 108.02 2avg s MET 9 Ca -0.13 0.64 -0.06 0.00 -1.25 0.00 0.00 55.69 54.89 2avg s MET 9 Cb 0.09 -0.08 -0.04 0.00 1.25 0.00 0.00 34.83 36.05 2avg s MET 9 CO 0.82 -0.16 0.04 -0.98 1.05 0.00 0.00 175.02 175.79 2avg s ARG 10 N 1.30 3.88 0.86 4.11 1.70 -1.26 -0.71 118.95 128.83 2avg s ARG 10 Ca -0.09 -0.40 -0.12 0.00 -0.47 0.00 0.00 55.73 54.66 2avg s ARG 10 Cb -0.09 -3.14 0.11 0.00 -0.57 0.00 0.00 34.95 31.26 2avg s ARG 10 CO -0.10 0.24 1.17 -1.25 -1.08 0.00 0.00 175.30 174.27 2avg s PRO 11 N 0.44 1.37 0.40 3.89 0.04 -1.12 -4.96 135.00 135.06 2avg s PRO 11 Ca 0.01 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.71 2avg s PRO 11 Cb -0.13 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2avg s PRO 11 CO 0.01 -2.39 0.07 -0.65 0.04 0.00 0.00 177.00 174.08 2avg s GLN 12 N -4.43 1.88 0.00 4.56 -1.52 -1.26 -4.74 119.66 114.15 2avg s GLN 12 Ca 0.69 -2.12 0.00 0.00 -1.95 0.00 0.00 55.36 51.98 2avg s GLN 12 Cb -0.25 -0.95 0.00 0.00 -0.22 0.00 0.00 33.01 31.59 2avg s GLN 12 CO 0.54 -0.32 0.00 -0.40 -0.25 0.00 0.00 175.29 174.86 2avg n ASP 13 N -1.06 0.00 0.00 5.90 5.75 -1.26 -4.70 116.55 121.18 2avg n ASP 13 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 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 2.43 3.83 3.29 6.12 0.00 -0.39 -4.88 105.19 115.60 2avg n GLY 14 Ca 0.00 -0.28 -0.37 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 -1.51 2.84 0.19 1.61 8.01 -1.26 -0.45 118.70 128.13 2avg s GLU 15 Ca 0.00 -1.02 0.02 0.00 0.01 0.00 0.00 54.97 53.98 2avg s GLU 15 Cb 0.00 -3.36 -0.05 0.00 -4.31 0.00 0.00 34.13 26.41 2avg s GLU 15 CO 0.00 -0.54 0.01 0.14 0.01 0.00 0.00 175.26 174.88 2avg s VAL 16 N 1.43 0.75 0.23 2.63 -7.23 -0.14 -4.95 120.40 113.12 2avg s VAL 16 Ca 0.00 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2avg s VAL 16 Cb -0.18 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2avg s VAL 16 CO 0.02 -0.42 0.43 -0.89 -0.31 0.00 0.00 175.10 173.93 2avg s THR 17 N -3.61 5.16 -0.48 5.32 2.01 -1.26 0.14 115.64 122.91 2avg s THR 17 Ca 0.26 -0.27 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 2avg s THR 17 Cb 0.06 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2avg s THR 17 CO 0.06 -0.22 1.79 -0.69 -0.69 0.00 0.00 174.62 174.87 2avg s VAL 18 N -1.93 3.46 0.00 3.82 1.01 0.54 -2.01 120.40 125.29 2avg s VAL 18 Ca 0.40 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2avg s VAL 18 Cb -0.11 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2avg s VAL 18 CO 0.29 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.29 2avg n GLY 19 N 5.53 0.96 0.00 4.51 0.00 -1.19 -4.95 105.19 110.05 2avg n GLY 19 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.55 3.58 -0.02 0.00 -0.85 -4.63 105.19 103.81 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 -1.00 0.26 -0.03 1.61 1.04 -1.26 0.48 113.70 114.80 2avg s SER 21 Ca 0.00 -1.15 -0.10 0.00 0.48 0.00 0.00 55.95 55.18 2avg s SER 21 Cb 0.00 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.78 2avg s SER 21 CO 0.00 -1.27 0.22 -0.51 0.98 0.00 0.00 173.24 172.66 2avg s ILE 22 N -3.46 0.05 -0.03 -1.02 1.10 0.18 -4.74 121.20 113.28 2avg s ILE 22 Ca 0.24 -0.42 -0.00 0.00 -0.51 0.00 0.00 60.65 59.96 2avg s ILE 22 Cb -0.01 -0.45 0.03 0.00 0.15 0.00 0.00 42.46 42.17 2avg s ILE 22 CO 0.13 -0.23 0.03 -0.89 -2.11 0.00 0.00 174.94 171.87 2avg s THR 23 N -0.91 0.01 0.00 4.00 2.01 -1.26 -1.67 115.64 117.83 2avg s THR 23 Ca -0.10 0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.17 2avg s THR 23 Cb -0.05 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 2avg s THR 23 CO 0.02 0.13 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.53 2avg s PHE 24 N 1.27 1.62 -0.11 4.92 0.08 -0.95 -4.86 117.98 119.96 2avg s PHE 24 Ca -0.07 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 2avg s PHE 24 Cb -0.13 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 2avg s PHE 24 CO -0.03 0.00 -0.04 -1.12 -0.10 0.00 0.00 175.22 173.94 2avg s SER 25 N -0.64 2.09 -0.28 1.36 0.01 -1.26 0.10 113.70 115.09 2avg s SER 25 Ca 0.07 -0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.00 2avg s SER 25 Cb -0.07 -0.69 0.03 0.00 0.21 0.00 0.00 66.02 65.50 2avg s SER 25 CO -0.00 -0.17 -0.01 0.00 0.41 0.00 0.00 173.24 173.47 2avg s ALA 26 N 1.80 2.81 -0.29 1.44 0.00 0.22 -2.77 121.76 124.97 2avg s ALA 26 Ca 0.04 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 2avg s ALA 26 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2avg s ALA 26 CO -0.07 -1.01 0.16 1.03 0.00 0.00 0.00 175.76 175.87 2avg s ARG 27 N 1.33 3.61 -0.16 0.00 0.52 0.11 0.35 118.95 124.72 2avg s ARG 27 Ca -0.01 -0.54 -0.00 0.00 -0.52 0.00 0.00 55.73 54.66 2avg s ARG 27 Cb -0.18 -3.59 -0.00 0.00 0.52 0.00 0.00 34.95 31.70 2avg s ARG 27 CO -0.02 -0.30 -0.13 0.08 0.02 0.00 0.00 175.30 174.94 2avg s VAL 28 N 1.68 2.83 -0.30 3.52 1.01 -0.08 -1.27 120.40 127.78 2avg s VAL 28 Ca 0.06 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 2avg s VAL 28 Cb -0.16 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 2avg s VAL 28 CO 0.08 0.50 2.27 0.00 0.00 0.00 0.00 175.10 177.96 2avg n ALA 29 N 4.07 1.48 -0.34 5.51 0.00 -0.10 -0.07 120.51 131.07 2avg n ALA 29 Ca -0.19 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 52.98 2avg n ALA 29 Cb 0.52 -2.94 0.30 0.00 0.00 0.00 0.00 19.45 17.32 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 15.81 1.70 0.00 0.00 0.00 0.16 -3.45 103.07 117.29 2avg h GLY 30 Ca -0.35 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2avg h GLY 30 CO 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 177.51 2avg n ALA 31 N -2.35 0.00 -3.41 3.60 0.00 -1.26 -4.67 120.51 112.42 2avg n ALA 31 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 2avg n ALA 31 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 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 0.88 0.17 0.00 0.01 -1.26 -5.13 113.70 104.37 2avg s SER 32 Ca 0.00 -0.12 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 2avg s SER 32 Cb 0.00 -0.36 0.02 0.00 0.21 0.00 0.00 66.02 65.89 2avg s SER 32 CO 0.00 -0.02 0.31 0.00 0.41 0.00 0.00 173.24 173.94 2avg n LEU 33 N 3.75 0.00 -0.01 2.44 -0.00 -1.26 -4.91 117.00 117.01 2avg n LEU 33 Ca -0.23 -1.17 -0.12 0.00 -0.00 0.00 0.00 56.01 54.50 2avg n LEU 33 Cb 0.52 1.53 -0.10 0.00 -0.00 0.00 0.00 43.42 45.37 2avg n LEU 33 CO 0.24 -0.35 0.44 0.25 -0.00 0.00 0.00 177.39 177.97 2avg h LEU 34 N 0.00 -0.06 -7.92 1.47 5.85 -1.98 -3.48 115.31 109.19 2avg h LEU 34 Ca -0.14 -0.59 -0.15 0.00 0.84 0.00 0.00 57.88 57.83 2avg h LEU 34 Cb 0.54 0.02 -0.20 0.00 0.37 0.00 0.00 40.66 41.38 2avg h LEU 34 CO 0.18 0.63 -0.62 -1.59 -0.34 0.00 0.00 178.44 176.70 2avg s LYS 35 N -3.13 0.41 0.22 1.25 0.00 -1.26 -5.13 119.74 112.10 2avg s LYS 35 Ca -0.15 -0.61 -0.29 0.00 0.00 0.00 0.00 55.97 54.92 2avg s LYS 35 Cb -0.00 0.15 -0.16 0.00 0.00 0.00 0.00 37.83 37.82 2avg s LYS 35 CO 0.58 -0.08 0.79 -2.30 0.00 0.00 0.00 175.35 174.34 2avg n PRO 36 N 1.37 0.61 -1.55 1.78 -0.02 -1.26 -4.68 135.00 131.25 2avg n PRO 36 Ca -0.22 0.21 -0.52 0.00 -2.02 0.00 0.00 63.50 60.95 2avg n PRO 36 Cb 0.56 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.00 0.79 -3.43 0.52 -0.04 -1.26 -4.91 135.00 127.66 2avg n PRO 37 Ca 0.15 0.28 -0.44 0.00 -0.04 0.00 0.00 63.50 63.45 2avg n PRO 37 Cb 0.27 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2avg s VAL 38 N -0.09 5.03 -0.32 0.52 1.01 -1.03 -4.94 120.40 120.58 2avg s VAL 38 Ca 0.78 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2avg s VAL 38 Cb -0.97 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 31.40 2avg s VAL 38 CO 0.53 -0.56 0.14 -0.69 0.00 0.00 0.00 175.10 174.52 2avg s VAL 39 N 1.60 4.43 -0.25 2.92 1.01 -1.26 0.20 120.40 129.04 2avg s VAL 39 Ca 0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 2avg s VAL 39 Cb -0.24 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2avg s VAL 39 CO 0.06 0.02 0.28 -1.59 0.00 0.00 0.00 175.10 173.87 2avg s LYS 40 N 1.57 4.05 0.33 2.72 0.00 -0.81 -4.95 119.74 122.66 2avg s LYS 40 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 55.97 55.81 2avg s LYS 40 Cb -0.17 -3.60 -0.07 0.00 0.00 0.00 0.00 37.83 33.99 2avg s LYS 40 CO 0.05 -0.12 0.68 -1.58 0.00 0.00 0.00 175.35 174.38 2avg s TRP 41 N 1.57 3.45 -0.03 1.78 0.52 -1.26 -1.21 118.94 123.75 2avg s TRP 41 Ca 0.12 0.95 0.02 0.00 0.02 0.00 0.00 56.10 57.21 2avg s TRP 41 Cb -0.15 -2.35 0.01 0.00 -1.15 0.00 0.00 33.47 29.83 2avg s TRP 41 CO 0.08 0.05 -0.10 0.12 0.02 0.00 0.00 176.95 177.13 2avg s PHE 42 N -2.15 1.07 0.30 -1.98 5.36 0.30 -4.27 117.98 116.61 2avg s PHE 42 Ca 0.49 -0.29 0.06 0.00 -0.96 0.00 0.00 56.93 56.23 2avg s PHE 42 Cb -0.11 -0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 2avg s PHE 42 CO 0.27 -0.14 0.41 0.21 -1.46 0.00 0.00 175.22 174.51 2avg s LYS 43 N 0.30 3.18 0.00 10.12 2.20 0.80 -0.09 119.74 136.25 2avg s LYS 43 Ca -0.05 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.60 2avg s LYS 43 Cb -0.10 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 2avg s LYS 43 CO 0.01 0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 2avg n GLY 44 N -1.52 0.00 0.00 5.54 0.00 -1.19 -1.93 105.19 106.08 2avg n GLY 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2avg n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2avg n LYS 45 N 0.00 0.00 0.00 1.61 5.02 -1.25 -3.39 118.16 120.14 2avg n LYS 45 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2avg n LYS 45 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 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 -0.95 0.00 -2.75 2.13 4.27 -1.25 -4.89 117.44 114.00 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 0.27 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.25 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 3.15 0.19 -1.67 -7.23 -0.81 -4.94 120.40 109.09 2avg s VAL 47 Ca 0.00 -0.58 0.07 0.00 -1.81 0.00 0.00 61.98 59.66 2avg s VAL 47 Cb 0.00 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 2avg s VAL 47 CO 0.00 -0.13 0.04 1.51 -0.31 0.00 0.00 175.10 176.22 2avg s ASP 48 N -4.35 4.96 -0.23 4.85 -4.77 -1.26 -0.14 116.67 115.72 2avg s ASP 48 Ca 0.54 -0.36 0.06 0.00 -3.30 0.00 0.00 52.55 49.49 2avg s ASP 48 Cb -0.10 -1.11 -0.20 0.00 -1.09 0.00 0.00 42.92 40.42 2avg s ASP 48 CO 0.38 0.06 -0.08 0.18 0.70 0.00 0.00 175.17 176.41 2avg n LEU 49 N -0.37 2.03 0.32 2.11 4.32 -1.26 -4.46 117.00 119.70 2avg n LEU 49 Ca -0.09 -0.06 0.20 0.00 -0.02 0.00 0.00 56.01 56.04 2avg n LEU 49 Cb 0.56 -0.48 1.04 0.00 -1.62 0.00 0.00 43.42 42.92 2avg n LEU 49 CO 0.40 0.79 1.16 -1.28 -1.22 0.00 0.00 177.39 177.25 2avg h SER 50 N 0.00 0.00 0.08 -1.43 0.87 -1.97 0.80 113.55 111.91 2avg h SER 50 Ca -0.55 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 59.95 2avg h SER 50 Cb 2.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.96 2avg h SER 50 CO -0.04 0.00 -1.97 -1.20 -0.53 0.00 0.00 176.83 173.09 2avg n SER 51 N -3.19 0.08 -0.12 6.23 7.64 -1.26 -4.53 113.62 118.47 2avg n SER 51 Ca -0.02 0.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.74 2avg n SER 51 Cb 0.19 1.72 -0.13 0.00 -1.01 0.00 0.00 64.21 64.97 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 -2.37 0.68 -0.87 1.43 4.76 0.24 -4.91 118.16 117.12 2avg n LYS 52 Ca -0.08 0.09 -0.18 0.00 -2.87 0.00 0.00 58.31 55.28 2avg n LYS 52 Cb 0.65 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 32.22 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 -3.06 0.00 0.00 -0.18 0.31 0.76 -4.51 118.33 111.64 2avg n VAL 53 Ca -0.41 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2avg n VAL 53 Cb 1.04 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.85 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 3.45 2.12 0.13 2.92 0.00 0.45 -4.86 105.19 109.40 2avg n GLY 54 Ca 0.39 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.54 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 0.33 0.05 1.61 4.20 -1.97 -3.09 115.11 116.25 2avg h GLN 55 Ca 0.00 -0.08 -0.34 0.00 0.06 0.00 0.00 58.65 58.29 2avg h GLN 55 Cb 0.00 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2avg h GLN 55 CO 0.00 0.46 -1.98 -2.39 -0.67 0.00 0.00 178.83 174.25 2avg n HIS 56 N -4.76 0.91 -4.03 2.96 1.44 -1.26 -4.66 115.22 105.81 2avg n HIS 56 Ca -0.04 0.25 -0.32 0.00 -2.01 0.00 0.00 57.72 55.60 2avg n HIS 56 Cb 0.18 -1.14 -0.15 0.00 0.12 0.00 0.00 29.99 29.00 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 -6.48 4.11 -0.34 2.39 0.20 -1.23 -0.19 118.68 117.14 2avg s LEU 57 Ca -0.16 -1.75 -0.16 0.00 0.69 0.00 0.00 54.13 52.75 2avg s LEU 57 Cb 0.07 -1.60 -0.01 0.00 -0.43 0.00 0.00 46.19 44.22 2avg s LEU 57 CO 0.78 -0.29 0.40 -1.10 -0.29 0.00 0.00 176.35 175.85 2avg s GLN 58 N 1.02 3.61 -0.82 1.98 1.11 0.11 0.17 119.66 126.84 2avg s GLN 58 Ca 0.01 -0.32 -0.15 0.00 0.01 0.00 0.00 55.36 54.91 2avg s GLN 58 Cb -0.20 -3.79 0.21 0.00 -1.01 0.00 0.00 33.01 28.21 2avg s GLN 58 CO -0.06 -0.53 0.79 -1.17 0.01 0.00 0.00 175.29 174.32 2avg s LEU 59 N 2.11 6.56 0.25 2.90 0.20 -1.26 0.71 118.68 130.16 2avg s LEU 59 Ca 0.14 -2.57 0.06 0.00 0.69 0.00 0.00 54.13 52.45 2avg s LEU 59 Cb -0.16 -2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 43.34 2avg s LEU 59 CO 0.12 -0.64 0.28 -2.28 -0.29 0.00 0.00 176.35 173.54 2avg s HIS 60 N 0.50 3.26 -0.17 5.38 2.46 0.45 -4.88 115.29 122.29 2avg s HIS 60 Ca 0.18 -0.08 -0.01 0.00 0.47 0.00 0.00 55.06 55.63 2avg s HIS 60 Cb -0.11 -1.51 0.05 0.00 -0.13 0.00 0.00 32.58 30.88 2avg s HIS 60 CO -0.08 0.46 -0.03 0.16 -2.47 0.00 0.00 174.74 172.78 2avg s ASP 61 N -3.92 2.85 0.11 9.88 -4.77 -1.25 0.11 116.67 119.68 2avg s ASP 61 Ca 0.34 -0.70 -0.15 0.00 -3.30 0.00 0.00 52.55 48.74 2avg s ASP 61 Cb -0.08 -0.83 -0.07 0.00 -1.09 0.00 0.00 42.92 40.85 2avg s ASP 61 CO 0.27 -0.22 0.52 -0.44 0.70 0.00 0.00 175.17 176.00 2avg s SER 62 N 1.69 6.84 -0.30 2.11 0.01 0.33 -4.91 113.70 119.47 2avg s SER 62 Ca 0.00 1.07 -0.03 0.00 1.31 0.00 0.00 55.95 58.29 2avg s SER 62 Cb -0.16 -2.28 0.11 0.00 0.21 0.00 0.00 66.02 63.90 2avg s SER 62 CO -0.07 0.16 0.16 -0.47 0.41 0.00 0.00 173.24 173.43 2avg s TYR 63 N -1.36 0.27 -0.11 2.43 5.04 -1.26 -0.15 117.35 122.21 2avg s TYR 63 Ca 0.34 -0.88 0.03 0.00 -2.44 0.00 0.00 57.07 54.12 2avg s TYR 63 Cb -0.16 -0.85 -0.00 0.00 0.35 0.00 0.00 41.96 41.30 2avg s TYR 63 CO 0.18 -0.84 -0.20 0.34 -1.34 0.00 0.00 175.55 173.69 2avg s ASP 64 N 2.02 3.39 -0.09 4.32 2.15 -0.64 -5.01 116.67 122.80 2avg s ASP 64 Ca 0.10 -0.49 -0.06 0.00 0.43 0.00 0.00 52.55 52.54 2avg s ASP 64 Cb -0.16 -1.48 -0.27 0.00 -0.30 0.00 0.00 42.92 40.71 2avg s ASP 64 CO -0.32 0.16 0.48 -0.09 -0.17 0.00 0.00 175.17 175.23 2avg h ARG 65 N 6.72 0.27 -0.61 4.34 1.12 -1.93 0.70 114.38 125.00 2avg h ARG 65 Ca -0.21 -0.46 -0.02 0.00 -1.11 0.00 0.00 59.98 58.17 2avg h ARG 65 Cb 1.23 0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 31.33 2avg h ARG 65 CO 0.50 1.17 0.31 0.00 -3.11 0.00 0.00 179.97 178.84 2avg h ALA 66 N 0.18 1.39 0.00 2.80 0.00 -1.96 -0.64 119.26 121.04 2avg h ALA 66 Ca -0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2avg h ALA 66 Cb 2.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2avg h ALA 66 CO 0.11 0.48 -1.05 -1.13 0.00 0.00 0.00 179.25 177.67 2avg n SER 67 N -4.37 0.66 -1.38 0.00 3.41 -1.26 -4.95 113.62 105.74 2avg n SER 67 Ca 0.06 0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2avg n SER 67 Cb 0.12 0.67 -0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2avg n LYS 68 N -2.31 -1.25 -4.43 4.33 3.00 -0.25 -4.95 118.16 112.32 2avg n LYS 68 Ca 0.01 0.54 -0.30 0.00 -0.00 0.00 0.00 58.31 58.55 2avg n LYS 68 Cb 0.50 -4.65 -0.17 0.00 0.00 0.00 0.00 35.03 30.71 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 -2.63 1.75 -0.43 3.15 1.01 0.16 0.88 120.40 124.29 2avg s VAL 69 Ca 0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2avg s VAL 69 Cb -0.01 -1.58 0.07 0.00 0.00 0.00 0.00 36.38 34.86 2avg s VAL 69 CO 0.04 0.49 0.30 -0.31 0.00 0.00 0.00 175.10 175.61 2avg s TYR 70 N 1.04 3.29 -0.51 5.22 2.02 0.90 -1.62 117.35 127.70 2avg s TYR 70 Ca -0.04 -1.24 -0.22 0.00 -0.37 0.00 0.00 57.07 55.20 2avg s TYR 70 Cb -0.15 -2.94 0.04 0.00 -0.40 0.00 0.00 41.96 38.51 2avg s TYR 70 CO -0.04 -0.80 0.76 -1.17 -1.57 0.00 0.00 175.55 172.73 2avg s LEU 71 N 1.52 4.50 -0.41 -1.29 2.96 0.79 -0.91 118.68 125.84 2avg s LEU 71 Ca 0.03 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.18 2avg s LEU 71 Cb -0.23 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.79 2avg s LEU 71 CO 0.04 -1.00 0.79 -0.36 -1.32 0.00 0.00 176.35 174.51 2avg s PHE 72 N 3.22 3.04 -0.15 5.38 0.40 0.16 0.12 117.98 130.15 2avg s PHE 72 Ca 0.23 0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.93 2avg s PHE 72 Cb -0.15 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.82 2avg s PHE 72 CO 0.17 -0.88 -0.18 -1.83 0.70 0.00 0.00 175.22 173.20 2avg s GLU 73 N 3.23 3.12 -0.18 0.44 -1.05 0.29 0.73 118.70 125.29 2avg s GLU 73 Ca 0.31 -0.80 -0.20 0.00 -0.15 0.00 0.00 54.97 54.13 2avg s GLU 73 Cb -0.12 -2.54 -0.03 0.00 -0.44 0.00 0.00 34.13 31.00 2avg s GLU 73 CO 0.20 -0.00 0.59 -0.51 0.95 0.00 0.00 175.26 176.49 2avg s LEU 74 N 0.82 4.17 -0.50 1.83 1.43 0.28 -0.41 118.68 126.31 2avg s LEU 74 Ca -0.06 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2avg s LEU 74 Cb -0.15 -2.83 0.13 0.00 0.03 0.00 0.00 46.19 43.36 2avg s LEU 74 CO -0.01 -0.20 0.30 -1.00 0.23 0.00 0.00 176.35 175.67 2avg s HIS 75 N 1.59 3.51 -0.33 0.29 3.76 0.22 -2.23 115.29 122.10 2avg s HIS 75 Ca 0.28 -2.50 0.03 0.00 -0.15 0.00 0.00 55.06 52.72 2avg s HIS 75 Cb -0.16 -3.23 0.10 0.00 1.11 0.00 0.00 32.58 30.40 2avg s HIS 75 CO 0.11 -0.92 0.05 0.42 -0.85 0.00 0.00 174.74 173.54 2avg s ILE 76 N 0.69 1.99 0.22 0.60 1.01 -0.67 0.04 121.20 125.08 2avg s ILE 76 Ca 0.11 -2.11 0.09 0.00 0.00 0.00 0.00 60.65 58.74 2avg s ILE 76 Cb -0.22 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2avg s ILE 76 CO -0.04 -0.58 -0.02 0.42 0.00 0.00 0.00 174.94 174.72 2avg s THR 77 N 1.06 3.49 -1.02 2.92 -4.23 0.73 0.49 115.64 119.08 2avg s THR 77 Ca 0.10 -1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 58.84 2avg s THR 77 Cb -0.19 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.86 2avg s THR 77 CO -0.11 -0.23 0.86 -0.67 -0.54 0.00 0.00 174.62 173.92 2avg n ASP 78 N -0.45 -5.26 -4.71 3.99 2.03 0.18 -4.71 116.55 107.60 2avg n ASP 78 Ca -0.08 -0.39 -0.62 0.00 0.52 0.00 0.00 54.79 54.22 2avg n ASP 78 Cb 0.57 -3.88 -0.08 0.00 -0.72 0.00 0.00 41.12 37.01 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2avg n ALA 79 N -4.30 -0.86 -2.27 -1.67 0.00 -1.26 -4.44 120.51 105.71 2avg n ALA 79 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 2avg n ALA 79 Cb 0.55 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 2avg n ALA 79 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2avg s GLN 80 N 3.05 3.67 0.00 0.00 0.00 -1.26 -3.16 119.66 121.96 2avg s GLN 80 Ca 1.00 0.29 0.14 0.00 -0.00 0.00 0.00 55.36 56.80 2avg s GLN 80 Cb -1.26 -2.43 0.78 0.00 0.00 0.00 0.00 33.01 30.10 2avg s GLN 80 CO 0.72 -0.06 1.35 -0.35 0.00 0.00 0.00 175.29 176.95 2avg n PRO 81 N -1.59 0.30 -0.19 9.60 -0.04 -1.26 -0.31 135.00 141.50 2avg n PRO 81 Ca 0.01 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 2avg n PRO 81 Cb 0.54 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.76 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 2.45 0.07 0.55 0.00 -1.26 -4.05 120.51 117.09 2avg n ALA 82 Ca 0.08 -0.80 0.10 0.00 0.00 0.00 0.00 53.44 52.83 2avg n ALA 82 Cb 0.09 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 0.89 0.71 -1.49 0.00 3.72 0.57 -4.72 117.46 117.15 2avg n PHE 83 Ca 0.17 0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 57.35 2avg n PHE 83 Cb 0.43 -0.85 -0.09 0.00 -0.94 0.00 0.00 39.48 38.03 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 -2.59 0.02 0.00 4.37 -1.04 -1.25 -3.98 114.28 109.82 2avg n THR 84 Ca -0.02 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2avg n THR 84 Cb 0.58 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2avg n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avg n GLY 85 N 6.42 1.11 3.27 3.41 0.00 -0.01 -3.94 105.19 115.45 2avg n GLY 85 Ca 0.50 0.25 -0.07 0.00 0.00 0.00 0.00 46.02 46.70 2avg n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2avg s GLY 86 N 0.00 -0.45 -0.17 -0.02 0.00 -1.22 -0.16 107.32 105.29 2avg s GLY 86 Ca 0.00 1.56 -0.23 0.00 0.00 0.00 0.00 44.72 46.05 2avg s GLY 86 CO 0.00 2.58 0.71 -0.19 0.00 0.00 0.00 173.10 176.20 2avg s TYR 87 N 2.66 3.42 -0.13 1.90 1.51 -0.06 -3.20 117.35 123.44 2avg s TYR 87 Ca 0.01 1.09 0.02 0.00 -1.01 0.00 0.00 57.07 57.17 2avg s TYR 87 Cb -0.13 -2.88 0.01 0.00 -0.11 0.00 0.00 41.96 38.86 2avg s TYR 87 CO -0.14 -0.17 -0.19 1.03 -1.11 0.00 0.00 175.55 174.98 2avg s ARG 88 N 1.86 2.64 -0.16 -0.62 0.52 0.87 -2.59 118.95 121.47 2avg s ARG 88 Ca 0.33 -0.71 -0.13 0.00 -0.52 0.00 0.00 55.73 54.70 2avg s ARG 88 Cb -0.16 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 2avg s ARG 88 CO 0.12 -0.06 0.26 0.00 0.02 0.00 0.00 175.30 175.63 2avg s GLU 90 N 0.29 0.77 -0.02 0.00 2.02 -0.35 0.08 118.70 121.49 2avg s GLU 90 Ca 0.15 -0.90 -0.15 0.00 0.02 0.00 0.00 54.97 54.09 2avg s GLU 90 Cb -0.13 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 2avg s GLU 90 CO 0.03 -0.87 0.41 0.54 0.02 0.00 0.00 175.26 175.40 2avg s VAL 91 N 1.66 5.05 -0.23 2.63 0.11 -0.43 -1.92 120.40 127.28 2avg s VAL 91 Ca 0.06 0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 59.94 2avg s VAL 91 Cb -0.17 -3.73 0.07 0.00 -1.53 0.00 0.00 36.38 31.02 2avg s VAL 91 CO -0.20 0.54 0.03 -0.44 -3.33 0.00 0.00 175.10 171.71 2avg s SER 92 N -0.79 3.31 0.13 3.54 0.01 0.13 -3.11 113.70 116.92 2avg s SER 92 Ca 0.24 -1.06 0.04 0.00 1.31 0.00 0.00 55.95 56.48 2avg s SER 92 Cb -0.16 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 2avg s SER 92 CO 0.13 -0.32 -0.10 -0.89 0.41 0.00 0.00 173.24 172.46 2avg s THR 93 N 1.73 1.08 0.00 1.44 2.01 -0.93 -2.46 115.64 118.52 2avg s THR 93 Ca 0.01 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.12 2avg s THR 93 Cb -0.17 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.69 2avg s THR 93 CO -0.12 -0.66 0.00 2.29 -0.69 0.00 0.00 174.62 175.44 2avg n LYS 94 N 0.13 0.00 0.00 4.92 -0.00 -1.26 -0.25 118.16 121.69 2avg n LYS 94 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 2avg n LYS 94 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 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 -4.77 -5.58 2.03 -1.26 -5.03 116.55 101.93 2avg n ASP 95 Ca 0.00 -0.65 -0.37 0.00 0.52 0.00 0.00 54.79 54.29 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 4.06 -0.05 -0.67 -0.14 0.65 -0.32 119.74 123.27 2avg s LYS 96 Ca 0.00 0.12 0.02 0.00 -1.36 0.00 0.00 55.97 54.75 2avg s LYS 96 Cb 0.00 -3.35 0.01 0.00 -1.68 0.00 0.00 37.83 32.82 2avg s LYS 96 CO 0.00 0.42 -0.10 0.12 -0.76 0.00 0.00 175.35 175.03 2avg s PHE 97 N -0.08 1.19 -0.06 3.18 5.36 -1.26 -2.18 117.98 124.13 2avg s PHE 97 Ca 0.18 -0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 55.69 2avg s PHE 97 Cb -0.13 -0.90 0.02 0.00 -0.34 0.00 0.00 43.02 41.66 2avg s PHE 97 CO 0.06 -0.22 0.17 -0.51 -1.46 0.00 0.00 175.22 173.26 2avg s ASP 98 N 0.61 -0.16 0.05 6.13 1.01 -1.18 -4.98 116.67 118.14 2avg s ASP 98 Ca -0.11 0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.46 2avg s ASP 98 Cb -0.14 0.34 -0.03 0.00 1.01 0.00 0.00 42.92 44.10 2avg s ASP 98 CO 0.02 -0.09 -0.05 0.00 0.21 0.00 0.00 175.17 175.27 2avg s SER 100 N -2.10 0.82 -0.20 0.00 0.15 0.11 -4.97 113.70 107.51 2avg s SER 100 Ca -0.04 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.06 2avg s SER 100 Cb -0.03 0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.37 2avg s SER 100 CO -0.03 -0.19 0.04 0.54 1.20 0.00 0.00 173.24 174.79 2avg s ASN 101 N -1.48 2.97 -0.03 5.45 6.03 -1.26 -1.67 114.94 124.95 2avg s ASN 101 Ca -0.09 -0.85 -0.01 0.00 -1.03 0.00 0.00 52.86 50.87 2avg s ASN 101 Cb -0.09 -0.62 0.02 0.00 -3.03 0.00 0.00 41.25 37.53 2avg s ASN 101 CO 0.00 -0.31 0.05 0.72 -2.03 0.00 0.00 177.10 175.54 2avg s PHE 102 N 1.84 -0.02 0.12 1.54 -0.71 -1.07 -4.86 117.98 114.82 2avg s PHE 102 Ca -0.01 0.18 0.03 0.00 -1.04 0.00 0.00 56.93 56.09 2avg s PHE 102 Cb -0.17 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 2avg s PHE 102 CO -0.08 -0.08 0.20 0.54 -1.34 0.00 0.00 175.22 174.45 2avg s ASN 103 N 0.83 5.99 -0.16 1.98 4.22 -1.26 -0.88 114.94 125.66 2avg s ASN 103 Ca -0.07 0.08 0.01 0.00 -2.14 0.00 0.00 52.86 50.74 2avg s ASN 103 Cb -0.09 -1.72 0.02 0.00 1.28 0.00 0.00 41.25 40.73 2avg s ASN 103 CO -0.03 0.10 -0.19 -0.22 -2.04 0.00 0.00 177.10 174.73 2avg s LEU 104 N -2.92 2.00 -0.65 3.54 2.96 0.77 -1.26 118.68 123.13 2avg s LEU 104 Ca 0.33 -0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 2avg s LEU 104 Cb -0.11 -1.39 0.16 0.00 0.50 0.00 0.00 46.19 45.36 2avg s LEU 104 CO 0.26 -0.00 0.60 -0.89 -1.32 0.00 0.00 176.35 175.00 2avg s THR 105 N 1.27 5.35 -0.32 3.68 2.01 0.40 -0.83 115.64 127.20 2avg s THR 105 Ca 0.03 -1.89 -0.25 0.00 0.31 0.00 0.00 61.69 59.89 2avg s THR 105 Cb -0.13 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 68.01 2avg s THR 105 CO -0.11 -0.93 0.89 0.54 -0.69 0.00 0.00 174.62 174.33 2avg s VAL 106 N 1.03 4.69 -0.62 3.82 0.11 -1.25 -0.97 120.40 127.20 2avg s VAL 106 Ca 0.09 1.36 -0.21 0.00 -2.93 0.00 0.00 61.98 60.29 2avg s VAL 106 Cb -0.22 -4.25 0.09 0.00 -1.53 0.00 0.00 36.38 30.46 2avg s VAL 106 CO -0.02 -0.35 0.83 -1.00 -3.33 0.00 0.00 175.10 171.24 2avg s HIS 107 N 3.22 2.84 -0.01 1.54 3.76 0.37 -4.73 115.29 122.27 2avg s HIS 107 Ca 0.37 -0.74 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 2avg s HIS 107 Cb -0.13 -4.13 -0.02 0.00 1.11 0.00 0.00 32.58 29.40 2avg s HIS 107 CO 0.14 -1.46 0.37 1.49 -0.85 0.00 0.00 174.74 174.43 2avg h GLU 108 N 9.37 -0.12 0.00 1.40 4.81 -1.92 0.15 114.58 128.27 2avg h GLU 108 Ca -0.29 0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.65 2avg h GLU 108 Cb 1.08 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 2avg h GLU 108 CO 1.14 -0.08 -0.25 0.00 -0.73 0.00 0.00 179.01 179.09 2avg n ALA 109 N -2.21 0.29 -0.02 2.92 0.00 -1.26 -4.73 120.51 115.51 2avg n ALA 109 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2avg n ALA 109 Cb 0.05 0.73 0.00 0.00 0.00 0.00 0.00 19.45 20.22 2avg n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17