#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 5.52 -0.82 -2.24 2.15 -1.26 -4.87 116.67 115.15 2avg s ASP 2 Ca 0.00 1.70 -0.28 0.00 0.43 0.00 0.00 52.55 54.41 2avg s ASP 2 Cb 0.00 -2.51 -0.26 0.00 -0.30 0.00 0.00 42.92 39.85 2avg s ASP 2 CO 0.00 -1.35 1.97 -0.81 -0.17 0.00 0.00 175.17 174.81 2avg n PRO 3 N -2.69 0.22 -0.08 4.34 -0.04 -1.26 -4.44 135.00 131.05 2avg n PRO 3 Ca 0.08 -1.60 -0.08 0.00 -0.04 0.00 0.00 63.50 61.86 2avg n PRO 3 Cb 0.53 -3.56 -0.03 0.00 -0.04 0.00 0.00 33.50 30.41 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 8.43 1.39 -1.54 0.52 -0.00 -1.26 -5.02 119.36 121.87 2avg n ILE 4 Ca 0.43 0.17 0.00 0.00 -0.00 0.00 0.00 62.75 63.35 2avg n ILE 4 Cb 0.46 -2.29 0.00 0.00 -0.00 0.00 0.00 39.64 37.80 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 1.47 0.78 0.29 7.39 0.00 -1.26 -4.95 105.19 108.91 2avg n GLY 5 Ca -0.13 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 0.28 -7.85 0.99 5.85 -1.93 -3.00 115.31 109.65 2avg h LEU 6 Ca 0.00 0.13 -0.71 0.00 0.84 0.00 0.00 57.88 58.14 2avg h LEU 6 Cb 0.67 0.11 -0.17 0.00 0.37 0.00 0.00 40.66 41.64 2avg h LEU 6 CO 0.00 0.07 1.20 -0.36 -0.34 0.00 0.00 178.44 179.00 2avg s PHE 7 N -5.98 3.25 0.11 1.25 0.40 -1.26 -1.20 117.98 114.55 2avg s PHE 7 Ca -0.12 -1.73 -0.13 0.00 -0.60 0.00 0.00 56.93 54.34 2avg s PHE 7 Cb 0.22 -4.35 -0.11 0.00 0.51 0.00 0.00 43.02 39.30 2avg s PHE 7 CO 0.77 -1.49 1.38 0.28 0.70 0.00 0.00 175.22 176.86 2avg h VAL 8 N 5.31 1.29 -2.75 -0.44 2.07 -1.22 -3.45 116.25 117.06 2avg h VAL 8 Ca 0.25 -1.71 -0.12 0.00 0.82 0.00 0.00 66.70 65.94 2avg h VAL 8 Cb 0.94 1.72 -0.25 0.00 -1.52 0.00 0.00 31.29 32.18 2avg h VAL 8 CO 1.21 0.55 -0.27 -0.32 0.02 0.00 0.00 177.57 178.76 2avg s MET 9 N -4.09 0.44 -0.11 1.57 -2.45 -0.93 -4.98 119.30 108.75 2avg s MET 9 Ca -0.11 0.61 -0.05 0.00 -1.25 0.00 0.00 55.69 54.88 2avg s MET 9 Cb 0.09 0.16 -0.04 0.00 1.25 0.00 0.00 34.83 36.29 2avg s MET 9 CO 0.87 -0.08 0.09 -0.98 1.05 0.00 0.00 175.02 175.97 2avg s ARG 10 N 0.51 3.33 0.64 4.11 1.70 -1.26 -0.94 118.95 127.04 2avg s ARG 10 Ca -0.02 -0.23 -0.16 0.00 -0.47 0.00 0.00 55.73 54.84 2avg s ARG 10 Cb -0.04 -3.07 -0.01 0.00 -0.57 0.00 0.00 34.95 31.26 2avg s ARG 10 CO -0.03 0.72 1.11 -1.25 -1.08 0.00 0.00 175.30 174.77 2avg s PRO 11 N -0.88 2.90 0.42 3.89 0.04 -1.15 -4.87 135.00 135.36 2avg s PRO 11 Ca 0.14 1.43 0.07 0.00 0.04 0.00 0.00 61.00 62.68 2avg s PRO 11 Cb -0.12 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2avg s PRO 11 CO 0.03 -1.18 0.21 -0.65 0.04 0.00 0.00 177.00 175.46 2avg s GLN 12 N -3.95 2.27 0.00 4.56 1.11 -1.26 -4.68 119.66 117.71 2avg s GLN 12 Ca 0.68 -1.83 0.00 0.00 0.01 0.00 0.00 55.36 54.22 2avg s GLN 12 Cb -0.21 -2.03 0.00 0.00 -1.01 0.00 0.00 33.01 29.76 2avg s GLN 12 CO 0.39 -0.16 0.00 -0.25 0.01 0.00 0.00 175.29 175.27 2avg n ASP 13 N -1.31 0.00 0.00 5.90 9.92 -1.25 -4.66 116.55 125.15 2avg n ASP 13 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 2avg n ASP 13 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2avg n GLY 14 N 2.47 3.82 3.33 0.44 0.00 -0.39 -4.84 105.19 110.02 2avg n GLY 14 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2avg n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2avg s GLU 15 N -1.67 3.35 0.11 1.61 2.02 -1.26 -0.10 118.70 122.76 2avg s GLU 15 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2avg s GLU 15 Cb 0.00 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 2avg s GLU 15 CO 0.00 -0.24 -0.01 0.14 0.02 0.00 0.00 175.26 175.16 2avg s VAL 16 N 1.50 0.42 0.22 2.63 -7.23 0.50 -4.95 120.40 113.49 2avg s VAL 16 Ca 0.05 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 2avg s VAL 16 Cb -0.15 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2avg s VAL 16 CO -0.01 -0.74 0.42 -0.89 -0.31 0.00 0.00 175.10 173.56 2avg s THR 17 N -3.81 5.18 -0.43 5.32 2.01 -1.26 0.95 115.64 123.61 2avg s THR 17 Ca 0.16 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 2avg s THR 17 Cb 0.07 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2avg s THR 17 CO -0.03 -0.23 1.90 -0.69 -0.69 0.00 0.00 174.62 174.89 2avg s VAL 18 N -1.93 3.36 0.00 3.82 1.01 -0.66 -2.30 120.40 123.70 2avg s VAL 18 Ca 0.39 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2avg s VAL 18 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2avg s VAL 18 CO 0.30 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.51 2avg n GLY 19 N 5.58 0.25 0.00 4.51 0.00 -1.26 -5.02 105.19 109.26 2avg n GLY 19 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 3.51 -0.02 0.00 -0.97 -4.77 105.19 103.48 2avg n GLY 20 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.86 0.43 -0.08 1.61 1.04 -1.26 0.69 113.70 115.26 2avg s SER 21 Ca 0.00 -1.26 -0.08 0.00 0.48 0.00 0.00 55.95 55.09 2avg s SER 21 Cb 0.00 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2avg s SER 21 CO 0.00 -1.21 0.22 -0.51 0.98 0.00 0.00 173.24 172.72 2avg s ILE 22 N -3.50 0.00 -0.03 -1.02 1.10 0.46 -4.78 121.20 113.43 2avg s ILE 22 Ca 0.28 -0.02 -0.00 0.00 -0.51 0.00 0.00 60.65 60.39 2avg s ILE 22 Cb 0.00 -0.32 0.03 0.00 0.15 0.00 0.00 42.46 42.32 2avg s ILE 22 CO 0.15 -0.01 0.03 -0.89 -2.11 0.00 0.00 174.94 172.10 2avg s THR 23 N 0.06 0.01 0.13 4.00 2.01 -1.26 -0.89 115.64 119.70 2avg s THR 23 Ca -0.01 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2avg s THR 23 Cb -0.02 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2avg s THR 23 CO 0.00 0.13 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.55 2avg s PHE 24 N 1.31 1.52 -0.07 4.92 0.08 -1.16 -4.83 117.98 119.75 2avg s PHE 24 Ca -0.06 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.45 2avg s PHE 24 Cb -0.13 -0.78 0.03 0.00 -0.57 0.00 0.00 43.02 41.56 2avg s PHE 24 CO -0.03 0.19 -0.02 -1.12 -0.10 0.00 0.00 175.22 174.15 2avg s SER 25 N -2.50 1.53 -0.25 1.36 0.01 -1.26 -0.31 113.70 112.29 2avg s SER 25 Ca 0.11 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.21 2avg s SER 25 Cb -0.05 -0.50 0.02 0.00 0.21 0.00 0.00 66.02 65.69 2avg s SER 25 CO 0.04 -0.15 -0.04 0.00 0.41 0.00 0.00 173.24 173.50 2avg s ALA 26 N 1.71 2.77 -0.30 1.44 0.00 0.10 -2.91 121.76 124.57 2avg s ALA 26 Ca 0.02 -1.39 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 2avg s ALA 26 Cb -0.13 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 2avg s ALA 26 CO -0.05 -0.73 0.13 1.03 0.00 0.00 0.00 175.76 176.14 2avg s ARG 27 N 1.39 3.28 -0.14 0.00 0.52 -0.12 0.15 118.95 124.04 2avg s ARG 27 Ca 0.02 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 2avg s ARG 27 Cb -0.16 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.82 2avg s ARG 27 CO -0.03 -0.41 -0.19 0.08 0.02 0.00 0.00 175.30 174.76 2avg s VAL 28 N 1.58 2.35 -0.30 3.52 1.01 -0.06 -1.87 120.40 126.63 2avg s VAL 28 Ca 0.04 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2avg s VAL 28 Cb -0.17 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 2avg s VAL 28 CO 0.05 0.54 2.24 0.00 0.00 0.00 0.00 175.10 177.93 2avg n ALA 29 N 3.94 1.43 -0.19 5.51 0.00 -0.34 -0.12 120.51 130.73 2avg n ALA 29 Ca -0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 52.99 2avg n ALA 29 Cb 0.52 -2.80 0.09 0.00 0.00 0.00 0.00 19.45 17.26 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 14.49 0.82 -2.61 0.00 0.00 -0.29 -3.44 103.07 112.04 2avg h GLY 30 Ca -0.34 -0.14 0.32 0.00 0.00 0.00 0.00 47.33 47.17 2avg h GLY 30 CO 1.01 0.03 -0.42 0.00 0.00 0.00 0.00 176.54 177.15 2avg n ALA 31 N -2.42 -3.03 -1.31 3.60 0.00 -1.26 -4.34 120.51 111.75 2avg n ALA 31 Ca 0.07 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 2avg n ALA 31 Cb 0.23 -1.05 0.20 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.92 3.28 -3.76 0.00 7.64 -1.26 -5.03 113.62 110.58 2avg n SER 32 Ca 0.01 -3.66 -0.29 0.00 1.01 0.00 0.00 58.87 55.94 2avg n SER 32 Cb 0.54 -0.75 0.27 0.00 -1.01 0.00 0.00 64.21 63.25 2avg n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2avg n LEU 33 N -1.08 -1.09 -0.02 -3.43 -0.00 -1.26 -4.95 117.00 105.16 2avg n LEU 33 Ca 0.48 -0.56 -0.17 0.00 -0.00 0.00 0.00 56.01 55.75 2avg n LEU 33 Cb 1.40 -1.07 -0.07 0.00 -0.00 0.00 0.00 43.42 43.68 2avg n LEU 33 CO 0.43 -4.00 0.28 0.25 -0.00 0.00 0.00 177.39 174.34 2avg h LEU 34 N -3.18 0.91 -7.44 1.47 5.85 -1.95 -3.44 115.31 107.52 2avg h LEU 34 Ca -0.48 -0.63 -0.19 0.00 0.84 0.00 0.00 57.88 57.42 2avg h LEU 34 Cb 1.29 -0.27 -0.28 0.00 0.37 0.00 0.00 40.66 41.77 2avg h LEU 34 CO 0.33 1.39 -0.49 -1.59 -0.34 0.00 0.00 178.44 177.75 2avg s LYS 35 N -3.74 0.21 0.28 1.25 0.00 -1.26 -5.08 119.74 111.40 2avg s LYS 35 Ca -0.11 0.40 -0.26 0.00 0.00 0.00 0.00 55.97 56.00 2avg s LYS 35 Cb 0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 37.83 37.75 2avg s LYS 35 CO 0.90 -0.10 0.60 -2.30 0.00 0.00 0.00 175.35 174.45 2avg n PRO 36 N 3.61 0.44 -1.64 1.78 -0.02 -1.26 -4.52 135.00 133.38 2avg n PRO 36 Ca -0.19 0.16 -0.45 0.00 -2.02 0.00 0.00 63.50 60.99 2avg n PRO 36 Cb 0.56 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.90 1.77 -3.36 0.52 -0.01 -1.26 -4.91 135.00 128.65 2avg n PRO 37 Ca 0.14 0.63 -0.44 0.00 -0.01 0.00 0.00 63.50 63.81 2avg n PRO 37 Cb 0.31 -2.19 -0.07 0.00 -0.01 0.00 0.00 33.50 31.53 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 2avg s VAL 38 N -0.46 5.19 -0.29 -1.45 1.01 -1.10 -4.94 120.40 118.36 2avg s VAL 38 Ca 0.65 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2avg s VAL 38 Cb -0.68 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 31.56 2avg s VAL 38 CO 0.54 -0.62 0.06 -0.69 0.00 0.00 0.00 175.10 174.39 2avg s VAL 39 N 1.76 3.76 -0.25 2.92 1.01 -1.26 0.51 120.40 128.84 2avg s VAL 39 Ca 0.05 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 2avg s VAL 39 Cb -0.24 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2avg s VAL 39 CO 0.07 0.07 0.15 -1.59 0.00 0.00 0.00 175.10 173.80 2avg s LYS 40 N 1.46 3.93 0.28 2.72 0.00 -0.18 -4.95 119.74 123.00 2avg s LYS 40 Ca 0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 55.97 55.50 2avg s LYS 40 Cb -0.17 -3.52 -0.08 0.00 0.00 0.00 0.00 37.83 34.05 2avg s LYS 40 CO 0.01 -0.08 0.69 -1.58 0.00 0.00 0.00 175.35 174.40 2avg s TRP 41 N 1.42 3.43 -0.01 1.78 0.52 -1.26 -1.48 118.94 123.33 2avg s TRP 41 Ca 0.07 1.17 0.04 0.00 0.02 0.00 0.00 56.10 57.40 2avg s TRP 41 Cb -0.15 -2.49 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2avg s TRP 41 CO 0.07 0.17 -0.14 0.12 0.02 0.00 0.00 176.95 177.19 2avg s PHE 42 N -1.87 1.29 0.36 -1.98 5.36 -0.10 -4.33 117.98 116.72 2avg s PHE 42 Ca 0.51 -0.25 0.07 0.00 -0.96 0.00 0.00 56.93 56.31 2avg s PHE 42 Cb -0.11 -0.83 -0.02 0.00 -0.34 0.00 0.00 43.02 41.71 2avg s PHE 42 CO 0.19 -0.02 0.32 0.21 -1.46 0.00 0.00 175.22 174.45 2avg s LYS 43 N -0.35 2.68 0.00 10.12 2.20 0.14 -0.79 119.74 133.74 2avg s LYS 43 Ca 0.06 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2avg s LYS 43 Cb -0.06 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 2avg s LYS 43 CO -0.01 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 2avg n GLY 44 N -1.42 0.00 0.00 5.54 0.00 -1.19 -2.22 105.19 105.90 2avg n GLY 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 1.61 2.85 -1.03 -2.83 118.16 118.76 2avg n LYS 45 Ca 0.00 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2avg n LYS 45 Cb 0.00 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 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 -0.92 0.00 -2.78 5.58 4.27 -1.26 -4.85 117.44 117.48 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 0.25 0.03 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 3.22 0.21 -1.67 -7.23 -0.94 -4.92 120.40 109.07 2avg s VAL 47 Ca 0.00 -0.59 0.08 0.00 -1.81 0.00 0.00 61.98 59.66 2avg s VAL 47 Cb 0.00 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2avg s VAL 47 CO 0.00 -0.14 0.01 1.51 -0.31 0.00 0.00 175.10 176.17 2avg s ASP 48 N -4.34 4.73 -0.17 4.85 -4.77 -1.26 0.23 116.67 115.94 2avg s ASP 48 Ca 0.54 -0.48 0.15 0.00 -3.30 0.00 0.00 52.55 49.45 2avg s ASP 48 Cb -0.10 -0.97 -0.24 0.00 -1.09 0.00 0.00 42.92 40.52 2avg s ASP 48 CO 0.38 0.05 0.16 0.18 0.70 0.00 0.00 175.17 176.64 2avg n LEU 49 N -0.48 0.53 0.33 2.11 4.32 -1.26 -4.46 117.00 118.09 2avg n LEU 49 Ca -0.08 0.07 0.21 0.00 -0.02 0.00 0.00 56.01 56.18 2avg n LEU 49 Cb 0.57 0.25 1.10 0.00 -1.62 0.00 0.00 43.42 43.72 2avg n LEU 49 CO 0.39 0.53 1.15 -1.28 -1.22 0.00 0.00 177.39 176.97 2avg h SER 50 N 0.00 0.00 0.12 -1.43 0.87 -1.97 0.60 113.55 111.74 2avg h SER 50 Ca -0.50 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.82 2avg h SER 50 Cb 2.17 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 64.08 2avg h SER 50 CO 0.03 0.00 -2.12 -1.20 -0.53 0.00 0.00 176.83 173.00 2avg n SER 51 N -2.99 0.15 -0.10 6.23 7.64 -1.26 -4.59 113.62 118.70 2avg n SER 51 Ca -0.03 0.07 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 2avg n SER 51 Cb 0.14 1.11 -0.15 0.00 -1.01 0.00 0.00 64.21 64.30 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 -2.65 0.72 -1.15 1.43 4.76 0.17 -4.88 118.16 116.55 2avg n LYS 52 Ca -0.21 0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.05 2avg n LYS 52 Cb 0.95 -1.51 -0.16 0.00 -1.84 0.00 0.00 35.03 32.47 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 -2.85 0.00 0.00 -0.18 0.31 0.11 -4.51 118.33 111.21 2avg n VAL 53 Ca -0.35 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2avg n VAL 53 Cb 1.11 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 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 4.39 2.65 0.07 2.92 0.00 0.50 -4.87 105.19 110.86 2avg n GLY 54 Ca 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2avg n GLY 54 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2avg n GLN 55 N 0.00 0.65 -0.04 1.61 3.00 -1.26 -3.51 117.38 117.83 2avg n GLN 55 Ca 0.00 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.85 2avg n GLN 55 Cb 0.00 -1.65 -0.14 0.00 0.00 0.00 0.00 30.24 28.46 2avg n GLN 55 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 2avg n HIS 56 N -2.68 0.83 -3.95 1.08 1.44 -1.26 -4.69 115.22 106.00 2avg n HIS 56 Ca -0.15 0.20 -0.31 0.00 -2.01 0.00 0.00 57.72 55.45 2avg n HIS 56 Cb 0.86 -1.12 -0.15 0.00 0.12 0.00 0.00 29.99 29.70 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 -6.67 3.05 -0.31 2.39 1.98 -1.24 0.12 118.68 118.00 2avg s LEU 57 Ca -0.22 -1.44 -0.08 0.00 -2.89 0.00 0.00 54.13 49.50 2avg s LEU 57 Cb 0.07 -1.27 0.01 0.00 0.66 0.00 0.00 46.19 45.66 2avg s LEU 57 CO 0.74 -0.28 0.12 0.00 -1.89 0.00 0.00 176.35 175.04 2avg s GLN 58 N 1.29 3.15 -0.83 1.98 0.00 0.34 0.19 119.66 125.78 2avg s GLN 58 Ca -0.01 -0.83 -0.18 0.00 -0.00 0.00 0.00 55.36 54.34 2avg s GLN 58 Cb -0.19 -3.48 0.14 0.00 0.00 0.00 0.00 33.01 29.48 2avg s GLN 58 CO -0.09 -0.46 0.96 -1.17 0.00 0.00 0.00 175.29 174.53 2avg s LEU 59 N 1.55 5.46 0.33 2.60 0.20 -1.26 -0.34 118.68 127.21 2avg s LEU 59 Ca 0.03 -2.02 0.01 0.00 0.69 0.00 0.00 54.13 52.84 2avg s LEU 59 Cb -0.17 -2.34 -0.03 0.00 -0.43 0.00 0.00 46.19 43.21 2avg s LEU 59 CO 0.04 -0.99 0.52 -2.28 -0.29 0.00 0.00 176.35 173.36 2avg s HIS 60 N 2.20 3.49 -0.17 5.38 2.46 0.27 -4.89 115.29 124.04 2avg s HIS 60 Ca 0.25 0.32 0.01 0.00 0.47 0.00 0.00 55.06 56.11 2avg s HIS 60 Cb -0.10 -1.86 0.02 0.00 -0.13 0.00 0.00 32.58 30.50 2avg s HIS 60 CO -0.05 0.17 -0.20 -0.51 -2.47 0.00 0.00 174.74 171.68 2avg s ASP 61 N -3.97 3.19 -0.01 9.88 1.11 -1.26 0.09 116.67 125.69 2avg s ASP 61 Ca 0.39 -0.62 0.02 0.00 0.18 0.00 0.00 52.55 52.53 2avg s ASP 61 Cb -0.10 -1.48 -0.03 0.00 1.07 0.00 0.00 42.92 42.38 2avg s ASP 61 CO 0.35 0.02 -0.05 -0.44 1.18 0.00 0.00 175.17 176.23 2avg s SER 62 N 1.15 4.72 -0.29 0.27 0.01 0.23 -4.97 113.70 114.82 2avg s SER 62 Ca 0.01 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.17 2avg s SER 62 Cb -0.14 -1.15 0.13 0.00 0.21 0.00 0.00 66.02 65.07 2avg s SER 62 CO -0.09 0.30 0.25 -0.47 0.41 0.00 0.00 173.24 173.63 2avg s TYR 63 N -0.98 -0.20 -0.11 2.43 6.14 -1.26 -0.08 117.35 123.30 2avg s TYR 63 Ca 0.17 -0.44 0.01 0.00 0.64 0.00 0.00 57.07 57.45 2avg s TYR 63 Cb -0.11 -0.60 -0.02 0.00 0.42 0.00 0.00 41.96 41.65 2avg s TYR 63 CO 0.07 -0.89 -0.15 0.34 0.64 0.00 0.00 175.55 175.55 2avg s ASP 64 N 2.23 3.87 -0.11 4.32 -1.08 0.53 -4.98 116.67 121.45 2avg s ASP 64 Ca 0.10 -0.34 0.16 0.00 -0.52 0.00 0.00 52.55 51.95 2avg s ASP 64 Cb -0.15 -1.41 0.27 0.00 -1.46 0.00 0.00 42.92 40.17 2avg s ASP 64 CO -0.33 0.20 1.15 0.54 0.52 0.00 0.00 175.17 177.26 2avg n ARG 65 N 3.27 1.73 -0.00 4.34 5.12 -1.26 -1.60 116.66 128.26 2avg n ARG 65 Ca -0.18 -2.42 -0.00 0.00 -1.93 0.00 0.00 57.85 53.31 2avg n ARG 65 Cb 0.53 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 30.37 2avg n ARG 65 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2avg n ALA 66 N -1.17 1.98 0.56 7.54 0.00 -1.26 -4.53 120.51 123.62 2avg n ALA 66 Ca 0.14 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2avg n ALA 66 Cb 0.60 0.28 0.04 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.12 0.62 -1.48 0.00 2.88 -1.26 -4.96 113.62 107.30 2avg n SER 67 Ca -0.01 -0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 2avg n SER 67 Cb 0.52 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 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 -2.00 -1.50 -4.33 -1.46 4.81 -1.11 -4.95 118.16 107.63 2avg n LYS 68 Ca 0.02 0.55 -0.26 0.00 -0.87 0.00 0.00 58.31 57.75 2avg n LYS 68 Cb 0.44 -4.66 -0.17 0.00 0.02 0.00 0.00 35.03 30.66 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 -2.68 1.17 -0.43 3.15 1.01 -0.63 0.48 120.40 122.47 2avg s VAL 69 Ca 0.05 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 2avg s VAL 69 Cb -0.02 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.30 2avg s VAL 69 CO 0.07 0.37 0.33 -0.31 0.00 0.00 0.00 175.10 175.56 2avg s TYR 70 N 1.08 3.25 -0.52 5.22 2.02 0.82 -0.34 117.35 128.87 2avg s TYR 70 Ca -0.06 -0.87 -0.19 0.00 -0.37 0.00 0.00 57.07 55.58 2avg s TYR 70 Cb -0.15 -2.86 0.07 0.00 -0.40 0.00 0.00 41.96 38.63 2avg s TYR 70 CO -0.01 -0.71 0.62 -1.17 -1.57 0.00 0.00 175.55 172.70 2avg s LEU 71 N 1.62 5.13 -0.38 -1.29 2.96 0.89 -0.88 118.68 126.73 2avg s LEU 71 Ca 0.04 -1.07 -0.24 0.00 -0.22 0.00 0.00 54.13 52.64 2avg s LEU 71 Cb -0.22 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.10 2avg s LEU 71 CO 0.07 -0.92 0.81 -0.36 -1.32 0.00 0.00 176.35 174.64 2avg s PHE 72 N 2.54 3.08 -0.14 5.38 0.08 0.12 0.76 117.98 129.80 2avg s PHE 72 Ca 0.13 0.53 0.02 0.00 0.12 0.00 0.00 56.93 57.73 2avg s PHE 72 Cb -0.21 -3.50 0.01 0.00 -0.57 0.00 0.00 43.02 38.75 2avg s PHE 72 CO 0.10 -0.80 -0.20 -1.83 -0.10 0.00 0.00 175.22 172.40 2avg s GLU 73 N 3.21 3.09 -0.18 0.44 -1.05 0.11 0.02 118.70 124.34 2avg s GLU 73 Ca 0.32 -0.82 -0.20 0.00 -0.15 0.00 0.00 54.97 54.12 2avg s GLU 73 Cb -0.13 -2.50 -0.03 0.00 -0.44 0.00 0.00 34.13 31.03 2avg s GLU 73 CO 0.18 -0.00 0.61 -0.51 0.95 0.00 0.00 175.26 176.49 2avg s LEU 74 N 0.81 4.17 -0.52 1.83 2.01 0.58 -0.56 118.68 126.99 2avg s LEU 74 Ca -0.07 0.83 -0.01 0.00 0.01 0.00 0.00 54.13 54.89 2avg s LEU 74 Cb -0.15 -2.86 0.13 0.00 0.01 0.00 0.00 46.19 43.32 2avg s LEU 74 CO -0.01 -0.23 0.30 -1.00 1.01 0.00 0.00 176.35 176.43 2avg s HIS 75 N 1.69 3.46 -0.44 0.29 3.76 0.53 -2.98 115.29 121.61 2avg s HIS 75 Ca 0.28 -2.72 -0.01 0.00 -0.15 0.00 0.00 55.06 52.47 2avg s HIS 75 Cb -0.16 -3.13 0.12 0.00 1.11 0.00 0.00 32.58 30.52 2avg s HIS 75 CO 0.11 -0.88 0.21 0.42 -0.85 0.00 0.00 174.74 173.75 2avg s ILE 76 N 0.37 3.07 -0.05 0.60 1.01 -0.07 -0.50 121.20 125.63 2avg s ILE 76 Ca 0.14 -2.37 0.05 0.00 0.00 0.00 0.00 60.65 58.47 2avg s ILE 76 Cb -0.22 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2avg s ILE 76 CO -0.04 -0.71 -0.18 0.42 0.00 0.00 0.00 174.94 174.43 2avg s THR 77 N 0.78 2.69 -0.10 2.92 -4.23 0.32 0.17 115.64 118.19 2avg s THR 77 Ca 0.11 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2avg s THR 77 Cb -0.22 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 2avg s THR 77 CO -0.05 0.58 0.09 -0.67 -0.54 0.00 0.00 174.62 174.04 2avg n ASP 78 N 2.50 -2.57 -4.56 3.99 2.03 0.22 -4.43 116.55 113.73 2avg n ASP 78 Ca -0.17 -0.05 -0.38 0.00 0.52 0.00 0.00 54.79 54.71 2avg n ASP 78 Cb 0.52 -1.20 -0.03 0.00 -0.72 0.00 0.00 41.12 39.68 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 -3.03 2.47 0.65 -1.67 0.00 -1.26 -4.95 121.76 113.97 2avg s ALA 79 Ca 0.03 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 2avg s ALA 79 Cb -0.00 -4.42 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 2avg s ALA 79 CO 0.08 -3.76 0.81 0.00 0.00 0.00 0.00 175.76 172.90 2avg n GLN 80 N 9.08 0.62 -1.67 0.00 10.64 -1.26 -4.21 117.38 130.58 2avg n GLN 80 Ca 0.23 0.26 -0.33 0.00 -1.83 0.00 0.00 57.00 55.33 2avg n GLN 80 Cb 0.50 -2.04 0.06 0.00 -0.86 0.00 0.00 30.24 27.89 2avg n GLN 80 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2avg s PRO 81 N -2.79 2.67 -1.79 2.61 0.04 -1.26 -2.41 135.00 132.07 2avg s PRO 81 Ca 0.73 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2avg s PRO 81 Cb -0.39 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2avg s PRO 81 CO 0.51 -1.36 0.00 0.00 0.04 0.00 0.00 177.00 176.18 2avg n ALA 82 N -2.55 -0.31 0.73 8.56 0.00 -1.26 -4.80 120.51 120.88 2avg n ALA 82 Ca 0.11 0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.93 2avg n ALA 82 Cb 0.52 -1.82 0.27 0.00 0.00 0.00 0.00 19.45 18.42 2avg n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2avg n PHE 83 N -2.75 0.42 -3.36 0.00 -0.00 -1.01 -4.86 117.46 105.90 2avg n PHE 83 Ca -0.18 0.12 -0.32 0.00 -0.00 0.00 0.00 57.45 57.07 2avg n PHE 83 Cb 0.59 -0.59 -0.05 0.00 -0.00 0.00 0.00 39.48 39.43 2avg n PHE 83 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2avg s THR 84 N -3.10 4.90 0.00 -2.13 -4.23 -1.26 -2.48 115.64 107.34 2avg s THR 84 Ca 0.09 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 2avg s THR 84 Cb 0.15 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2avg s THR 84 CO 0.68 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 2avg n GLY 85 N -0.22 -0.83 3.54 3.99 0.00 0.79 -3.92 105.19 108.55 2avg n GLY 85 Ca 0.01 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.20 -0.17 -0.02 0.00 -1.23 -1.72 107.32 103.97 2avg s GLY 86 Ca 0.00 2.96 -0.22 0.00 0.00 0.00 0.00 44.72 47.47 2avg s GLY 86 CO 0.00 2.90 0.67 -0.19 0.00 0.00 0.00 173.10 176.48 2avg s TYR 87 N 1.99 3.41 -0.42 1.90 1.51 0.31 -3.14 117.35 122.91 2avg s TYR 87 Ca -0.06 1.03 -0.10 0.00 -1.01 0.00 0.00 57.07 56.93 2avg s TYR 87 Cb -0.06 -2.84 0.07 0.00 -0.11 0.00 0.00 41.96 39.03 2avg s TYR 87 CO -0.17 -0.14 0.28 1.03 -1.11 0.00 0.00 175.55 175.44 2avg s ARG 88 N 1.78 2.68 -0.17 -0.62 0.52 0.03 -2.97 118.95 120.18 2avg s ARG 88 Ca 0.32 -1.42 -0.20 0.00 -0.52 0.00 0.00 55.73 53.91 2avg s ARG 88 Cb -0.16 -3.83 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 2avg s ARG 88 CO 0.12 -0.95 0.59 0.00 0.02 0.00 0.00 175.30 175.07 2avg s GLU 90 N 1.52 0.23 -0.03 0.00 2.12 -0.55 0.10 118.70 122.09 2avg s GLU 90 Ca 0.28 0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.66 2avg s GLU 90 Cb -0.16 -1.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 2avg s GLU 90 CO 0.11 -0.78 0.11 0.54 -0.54 0.00 0.00 175.26 174.71 2avg s VAL 91 N 2.32 5.02 -0.18 3.70 0.11 -0.16 -1.01 120.40 130.20 2avg s VAL 91 Ca 0.08 -0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 58.85 2avg s VAL 91 Cb -0.15 -3.28 0.06 0.00 -1.53 0.00 0.00 36.38 31.48 2avg s VAL 91 CO -0.19 0.40 0.08 -0.44 -3.33 0.00 0.00 175.10 171.63 2avg s SER 92 N -1.62 2.50 0.09 3.54 0.01 0.18 -2.75 113.70 115.65 2avg s SER 92 Ca 0.22 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 56.84 2avg s SER 92 Cb -0.12 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 2avg s SER 92 CO 0.13 -0.35 -0.11 -0.89 0.41 0.00 0.00 173.24 172.43 2avg s THR 93 N 2.09 0.99 0.00 1.44 2.01 -0.60 -2.70 115.64 118.87 2avg s THR 93 Ca 0.02 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.48 2avg s THR 93 Cb -0.16 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2avg s THR 93 CO -0.10 -0.46 0.00 2.29 -0.69 0.00 0.00 174.62 175.65 2avg n LYS 94 N 0.77 0.00 0.00 4.92 -0.00 -1.26 0.23 118.16 122.81 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 -4.74 -5.58 2.03 -1.26 -5.06 116.55 101.94 2avg n ASP 95 Ca 0.00 -0.89 -0.36 0.00 0.52 0.00 0.00 54.79 54.06 2avg n ASP 95 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 3.12 -0.01 -0.67 1.02 0.14 -1.96 119.74 121.37 2avg s LYS 96 Ca 0.00 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.69 2avg s LYS 96 Cb 0.00 -2.92 -0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2avg s LYS 96 CO 0.00 0.73 -0.09 0.12 -0.92 0.00 0.00 175.35 175.18 2avg s PHE 97 N -0.93 0.87 -0.06 3.18 5.36 -1.26 -1.55 117.98 123.59 2avg s PHE 97 Ca 0.14 -0.18 -0.19 0.00 -0.96 0.00 0.00 56.93 55.74 2avg s PHE 97 Cb -0.12 -0.58 0.04 0.00 -0.34 0.00 0.00 43.02 42.03 2avg s PHE 97 CO 0.03 -0.03 0.43 -0.51 -1.46 0.00 0.00 175.22 173.68 2avg s ASP 98 N -0.13 -0.37 0.03 6.13 1.01 -1.11 -4.97 116.67 117.26 2avg s ASP 98 Ca 0.02 0.42 -0.16 0.00 0.71 0.00 0.00 52.55 53.54 2avg s ASP 98 Cb -0.05 0.50 0.03 0.00 1.01 0.00 0.00 42.92 44.41 2avg s ASP 98 CO -0.00 -0.43 0.36 0.00 0.21 0.00 0.00 175.17 175.31 2avg s SER 100 N -1.89 0.47 -0.30 0.00 1.04 0.12 -4.99 113.70 108.14 2avg s SER 100 Ca -0.07 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.22 2avg s SER 100 Cb -0.02 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 2avg s SER 100 CO -0.01 -0.09 0.17 0.54 0.98 0.00 0.00 173.24 174.83 2avg s ASN 101 N 0.95 5.70 -0.05 7.02 6.03 -1.26 -1.95 114.94 131.38 2avg s ASN 101 Ca -0.10 -0.37 -0.03 0.00 -1.03 0.00 0.00 52.86 51.32 2avg s ASN 101 Cb -0.13 -2.04 0.02 0.00 -3.03 0.00 0.00 41.25 36.06 2avg s ASN 101 CO -0.01 -0.16 0.12 0.72 -2.03 0.00 0.00 177.10 175.74 2avg s PHE 102 N 1.66 -0.13 0.22 1.54 -0.71 -1.16 -4.84 117.98 114.57 2avg s PHE 102 Ca 0.06 0.36 0.01 0.00 -1.04 0.00 0.00 56.93 56.31 2avg s PHE 102 Cb -0.17 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 2avg s PHE 102 CO 0.08 -0.10 0.40 -0.80 -1.34 0.00 0.00 175.22 173.45 2avg s ASN 103 N 0.53 6.36 -0.07 1.98 0.01 -1.26 -0.53 114.94 121.95 2avg s ASN 103 Ca -0.04 0.34 0.05 0.00 -0.71 0.00 0.00 52.86 52.50 2avg s ASN 103 Cb -0.05 -1.98 -0.00 0.00 0.41 0.00 0.00 41.25 39.62 2avg s ASN 103 CO -0.02 -0.07 -0.24 -0.22 -1.51 0.00 0.00 177.10 175.04 2avg s LEU 104 N -3.55 2.05 -0.21 0.60 2.96 -0.70 -1.27 118.68 118.57 2avg s LEU 104 Ca 0.38 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2avg s LEU 104 Cb -0.10 -1.34 0.05 0.00 0.50 0.00 0.00 46.19 45.29 2avg s LEU 104 CO 0.30 0.20 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.54 2avg s THR 105 N 0.09 1.67 -0.34 3.68 2.01 0.86 -0.15 115.64 123.46 2avg s THR 105 Ca -0.10 -1.09 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 2avg s THR 105 Cb -0.15 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 2avg s THR 105 CO 0.06 0.11 0.20 0.54 -0.69 0.00 0.00 174.62 174.84 2avg s VAL 106 N 1.37 4.83 -0.78 3.82 0.11 -1.25 -0.37 120.40 128.13 2avg s VAL 106 Ca -0.03 -0.46 -0.26 0.00 -2.93 0.00 0.00 61.98 58.30 2avg s VAL 106 Cb -0.17 -3.53 0.03 0.00 -1.53 0.00 0.00 36.38 31.19 2avg s VAL 106 CO -0.08 -0.04 1.32 -1.00 -3.33 0.00 0.00 175.10 171.97 2avg s HIS 107 N 1.64 2.30 -0.06 1.54 3.76 0.27 -4.55 115.29 120.18 2avg s HIS 107 Ca 0.05 -0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 54.80 2avg s HIS 107 Cb -0.18 -4.63 -0.00 0.00 1.11 0.00 0.00 32.58 28.88 2avg s HIS 107 CO 0.08 -2.06 -0.02 1.49 -0.85 0.00 0.00 174.74 173.37 2avg h GLU 108 N 10.09 0.00 -3.41 1.40 4.81 -1.95 -1.75 114.58 123.77 2avg h GLU 108 Ca -0.21 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.35 2avg h GLU 108 Cb 1.05 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.05 2avg h GLU 108 CO 1.30 0.00 -0.44 0.00 -0.73 0.00 0.00 179.01 179.14 2avg s ALA 109 N -2.76 3.61 0.00 2.92 0.00 -1.26 -4.87 121.76 119.40 2avg s ALA 109 Ca -0.02 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 48.52 2avg s ALA 109 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.66 2avg s ALA 109 CO 0.03 -2.09 0.00 -0.12 0.00 0.00 0.00 175.76 173.58