#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 5.26 0.00 -2.24 1.01 -1.26 -4.91 116.67 114.53 2avg s ASP 2 Ca 0.00 0.22 -0.01 0.00 0.71 0.00 0.00 52.55 53.47 2avg s ASP 2 Cb 0.00 -1.10 -0.03 0.00 1.01 0.00 0.00 42.92 42.80 2avg s ASP 2 CO 0.00 -1.20 1.33 -2.65 0.21 0.00 0.00 175.17 172.86 2avg n PRO 3 N -2.48 0.66 0.06 8.23 -0.02 -1.26 -4.23 135.00 135.96 2avg n PRO 3 Ca 0.07 -0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.31 2avg n PRO 3 Cb 0.59 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.66 2avg n PRO 3 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2avg h ILE 4 N 1.69 0.80 -0.68 4.25 5.03 -1.96 -3.47 117.51 123.16 2avg h ILE 4 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.76 2avg h ILE 4 Cb 0.60 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 2avg h ILE 4 CO 0.08 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.16 2avg n GLY 5 N -1.20 0.96 0.15 5.37 0.00 -1.26 -4.92 105.19 104.28 2avg n GLY 5 Ca -0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.32 -7.91 0.99 5.85 -1.89 -3.22 115.31 108.80 2avg h LEU 6 Ca 0.00 0.10 -0.68 0.00 0.84 0.00 0.00 57.88 58.15 2avg h LEU 6 Cb 0.66 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.78 2avg h LEU 6 CO 0.00 -0.12 1.55 -0.36 -0.34 0.00 0.00 178.44 179.18 2avg s PHE 7 N -6.21 2.96 0.06 1.25 0.40 -1.26 -1.52 117.98 113.66 2avg s PHE 7 Ca -0.14 -1.51 -0.17 0.00 -0.60 0.00 0.00 56.93 54.51 2avg s PHE 7 Cb 0.13 -4.54 -0.17 0.00 0.51 0.00 0.00 43.02 38.95 2avg s PHE 7 CO 0.70 -1.68 1.25 0.28 0.70 0.00 0.00 175.22 176.48 2avg h VAL 8 N 5.70 1.35 -2.64 -0.44 2.07 -1.35 -3.45 116.25 117.49 2avg h VAL 8 Ca 0.30 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 2avg h VAL 8 Cb 0.94 2.12 -0.25 0.00 -1.52 0.00 0.00 31.29 32.58 2avg h VAL 8 CO 1.33 0.56 -0.23 -0.32 0.02 0.00 0.00 177.57 178.93 2avg s MET 9 N -3.73 0.47 0.04 1.57 -2.45 -1.10 -4.96 119.30 109.14 2avg s MET 9 Ca -0.12 0.70 -0.17 0.00 -1.25 0.00 0.00 55.69 54.84 2avg s MET 9 Cb 0.06 0.14 -0.06 0.00 1.25 0.00 0.00 34.83 36.22 2avg s MET 9 CO 0.84 -0.10 0.50 -0.98 1.05 0.00 0.00 175.02 176.33 2avg s ARG 10 N 0.72 4.08 0.37 4.11 1.70 -1.26 -1.28 118.95 127.39 2avg s ARG 10 Ca -0.04 0.59 -0.27 0.00 -0.47 0.00 0.00 55.73 55.54 2avg s ARG 10 Cb -0.05 -3.23 -0.09 0.00 -0.57 0.00 0.00 34.95 31.00 2avg s ARG 10 CO -0.05 0.65 1.27 -1.25 -1.08 0.00 0.00 175.30 174.84 2avg s PRO 11 N -1.06 4.19 0.33 3.89 0.04 -0.86 -4.79 135.00 136.74 2avg s PRO 11 Ca 0.27 2.11 0.10 0.00 0.04 0.00 0.00 61.00 63.51 2avg s PRO 11 Cb -0.18 -2.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 2avg s PRO 11 CO 0.16 -0.29 -0.07 -1.14 0.04 0.00 0.00 177.00 175.70 2avg s GLN 12 N -2.01 1.91 0.00 4.56 2.00 -1.26 -4.73 119.66 120.13 2avg s GLN 12 Ca 0.53 -1.81 0.00 0.00 -2.00 0.00 0.00 55.36 52.07 2avg s GLN 12 Cb -0.37 -1.82 0.00 0.00 0.80 0.00 0.00 33.01 31.62 2avg s GLN 12 CO 0.49 0.18 0.00 -0.25 -0.50 0.00 0.00 175.29 175.21 2avg n ASP 13 N -0.83 0.00 0.00 6.67 9.92 -1.26 -4.68 116.55 126.37 2avg n ASP 13 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2avg n ASP 13 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 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 0.00 4.56 3.34 0.44 0.00 -0.74 -4.82 105.19 107.97 2avg n GLY 14 Ca 0.00 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.99 3.09 0.16 1.61 2.02 -1.26 -0.28 118.70 120.04 2avg s GLU 15 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.15 2avg s GLU 15 Cb 0.00 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 2avg s GLU 15 CO 0.00 -0.44 -0.01 0.14 0.02 0.00 0.00 175.26 174.98 2avg s VAL 16 N 1.50 0.66 0.21 2.63 -7.23 -0.14 -4.94 120.40 113.08 2avg s VAL 16 Ca 0.03 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2avg s VAL 16 Cb -0.17 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2avg s VAL 16 CO 0.02 -0.55 0.41 -0.89 -0.31 0.00 0.00 175.10 173.78 2avg s THR 17 N -3.67 5.18 -0.36 5.32 2.01 -1.26 0.11 115.64 122.97 2avg s THR 17 Ca 0.22 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 2avg s THR 17 Cb 0.06 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2avg s THR 17 CO 0.02 -0.18 1.96 -0.69 -0.69 0.00 0.00 174.62 175.04 2avg s VAL 18 N -1.88 3.31 0.00 3.82 1.01 -0.86 -1.63 120.40 124.17 2avg s VAL 18 Ca 0.39 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2avg s VAL 18 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2avg s VAL 18 CO 0.29 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2avg n GLY 19 N 5.59 1.42 0.00 4.51 0.00 -1.24 -4.98 105.19 110.49 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 -0.37 0.47 3.53 -0.02 0.00 -0.65 -4.74 105.19 103.41 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 -0.09 -0.01 1.61 1.04 -1.26 0.35 113.70 114.34 2avg s SER 21 Ca 0.00 -0.87 -0.12 0.00 0.48 0.00 0.00 55.95 55.44 2avg s SER 21 Cb 0.00 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.69 2avg s SER 21 CO 0.00 -1.08 0.25 -0.51 0.98 0.00 0.00 173.24 172.88 2avg s ILE 22 N -3.99 0.06 -0.03 -1.02 1.10 0.45 -4.79 121.20 112.98 2avg s ILE 22 Ca 0.20 -0.52 0.00 0.00 -0.51 0.00 0.00 60.65 59.82 2avg s ILE 22 Cb 0.00 -0.54 0.03 0.00 0.15 0.00 0.00 42.46 42.10 2avg s ILE 22 CO 0.06 -0.29 0.01 -0.89 -2.11 0.00 0.00 174.94 171.72 2avg s THR 23 N -1.27 0.13 0.07 4.00 2.01 -1.26 -2.14 115.64 117.19 2avg s THR 23 Ca -0.13 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.07 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 0.03 0.15 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.55 2avg s PHE 24 N 1.16 1.68 -0.04 4.92 0.08 -1.16 -4.77 117.98 119.85 2avg s PHE 24 Ca -0.08 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 2avg s PHE 24 Cb -0.13 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.39 2avg s PHE 24 CO -0.02 0.13 0.07 -1.12 -0.10 0.00 0.00 175.22 174.17 2avg s SER 25 N -1.52 0.25 -0.21 1.36 0.01 -1.26 0.15 113.70 112.49 2avg s SER 25 Ca 0.05 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.45 2avg s SER 25 Cb -0.09 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.17 2avg s SER 25 CO 0.03 -0.16 -0.15 0.00 0.41 0.00 0.00 173.24 173.37 2avg s ALA 26 N 1.35 2.31 -0.25 1.44 0.00 0.23 -2.02 121.76 124.83 2avg s ALA 26 Ca -0.06 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 50.44 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 -0.74 0.10 1.03 0.00 0.00 0.00 175.76 176.12 2avg s ARG 27 N 1.26 3.77 -0.12 0.00 0.52 -0.40 0.06 118.95 124.04 2avg s ARG 27 Ca -0.01 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2avg s ARG 27 Cb -0.16 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.92 2avg s ARG 27 CO -0.09 -0.14 -0.19 0.08 0.02 0.00 0.00 175.30 174.98 2avg s VAL 28 N 1.51 1.81 -0.28 3.52 1.01 -0.04 -1.75 120.40 126.19 2avg s VAL 28 Ca 0.06 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 2avg s VAL 28 Cb -0.15 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 2avg s VAL 28 CO 0.05 0.50 2.24 0.00 0.00 0.00 0.00 175.10 177.90 2avg n ALA 29 N 4.03 1.54 0.03 5.51 0.00 -0.57 0.59 120.51 131.64 2avg n ALA 29 Ca -0.20 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 2avg n ALA 29 Cb 0.52 -2.87 -0.08 0.00 0.00 0.00 0.00 19.45 17.02 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 14.93 -0.93 -0.37 0.00 0.00 -0.18 -3.44 103.07 113.08 2avg h GLY 30 Ca -0.36 0.59 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2avg h GLY 30 CO 0.99 -0.23 -0.06 0.00 0.00 0.00 0.00 176.54 177.24 2avg n ALA 31 N -2.95 -0.43 -2.94 3.60 0.00 -1.26 -4.50 120.51 112.03 2avg n ALA 31 Ca -0.06 0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2avg n ALA 31 Cb 0.38 -0.15 -0.12 0.00 0.00 0.00 0.00 19.45 19.56 2avg n ALA 31 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2avg s SER 32 N -4.37 4.79 0.23 0.00 1.04 -1.26 -5.02 113.70 109.12 2avg s SER 32 Ca 0.00 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 2avg s SER 32 Cb 0.00 -1.76 0.04 0.00 0.10 0.00 0.00 66.02 64.40 2avg s SER 32 CO 0.00 0.18 0.51 0.00 0.98 0.00 0.00 173.24 174.91 2avg n LEU 33 N 3.46 0.00 -0.06 2.42 -0.00 -1.26 -4.99 117.00 116.57 2avg n LEU 33 Ca -0.17 -1.54 -0.14 0.00 -0.00 0.00 0.00 56.01 54.16 2avg n LEU 33 Cb 0.52 2.34 -0.07 0.00 -0.00 0.00 0.00 43.42 46.21 2avg n LEU 33 CO 0.33 -0.51 0.54 0.25 -0.00 0.00 0.00 177.39 177.99 2avg h LEU 34 N 0.00 0.51 -7.47 1.47 5.85 -1.98 -3.46 115.31 110.23 2avg h LEU 34 Ca -0.21 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 57.88 2avg h LEU 34 Cb 0.77 -0.15 -0.20 0.00 0.37 0.00 0.00 40.66 41.46 2avg h LEU 34 CO 0.26 0.94 -0.23 -1.59 -0.34 0.00 0.00 178.44 177.48 2avg s LYS 35 N -4.14 0.71 0.52 1.25 0.00 -1.26 -5.12 119.74 111.71 2avg s LYS 35 Ca -0.13 -0.17 -0.19 0.00 0.00 0.00 0.00 55.97 55.47 2avg s LYS 35 Cb 0.06 0.32 -0.10 0.00 0.00 0.00 0.00 37.83 38.10 2avg s LYS 35 CO 0.79 -0.20 0.49 -2.30 0.00 0.00 0.00 175.35 174.12 2avg n PRO 36 N 1.20 0.51 -1.61 1.78 -0.02 -1.26 -4.53 135.00 131.08 2avg n PRO 36 Ca -0.21 0.19 -0.49 0.00 -2.02 0.00 0.00 63.50 60.97 2avg n PRO 36 Cb 0.56 -1.61 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 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 0.25 1.40 -3.40 0.52 -0.01 -1.26 -4.91 135.00 127.58 2avg n PRO 37 Ca 0.11 0.50 -0.44 0.00 -0.01 0.00 0.00 63.50 63.66 2avg n PRO 37 Cb 0.45 -2.10 -0.08 0.00 -0.01 0.00 0.00 33.50 31.76 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 0.18 5.19 -0.29 -1.45 1.01 -0.81 -4.94 120.40 119.29 2avg s VAL 38 Ca 0.77 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2avg s VAL 38 Cb -0.83 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 31.47 2avg s VAL 38 CO 0.48 -0.56 0.06 -0.69 0.00 0.00 0.00 175.10 174.39 2avg s VAL 39 N 1.63 3.77 -0.22 2.92 1.01 -1.26 0.71 120.40 128.97 2avg s VAL 39 Ca 0.04 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2avg s VAL 39 Cb -0.24 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2avg s VAL 39 CO 0.07 0.08 0.07 -1.59 0.00 0.00 0.00 175.10 173.72 2avg s LYS 40 N 1.46 3.81 0.38 2.72 0.00 -0.48 -4.96 119.74 122.67 2avg s LYS 40 Ca 0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 55.97 55.41 2avg s LYS 40 Cb -0.17 -3.27 -0.09 0.00 0.00 0.00 0.00 37.83 34.30 2avg s LYS 40 CO 0.01 0.03 0.81 -1.58 0.00 0.00 0.00 175.35 174.63 2avg s TRP 41 N 1.02 3.38 -0.02 1.78 0.52 -1.26 -1.73 118.94 122.63 2avg s TRP 41 Ca 0.04 1.31 0.04 0.00 0.02 0.00 0.00 56.10 57.51 2avg s TRP 41 Cb -0.14 -2.62 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 2avg s TRP 41 CO 0.03 -0.03 -0.15 0.12 0.02 0.00 0.00 176.95 176.95 2avg s PHE 42 N -2.15 1.34 0.34 -1.98 5.36 0.98 -4.27 117.98 117.60 2avg s PHE 42 Ca 0.56 -0.29 0.07 0.00 -0.96 0.00 0.00 56.93 56.32 2avg s PHE 42 Cb -0.10 -0.88 -0.02 0.00 -0.34 0.00 0.00 43.02 41.68 2avg s PHE 42 CO 0.20 -0.05 0.34 0.21 -1.46 0.00 0.00 175.22 174.45 2avg s LYS 43 N -0.22 2.82 0.00 10.12 2.47 0.11 -0.76 119.74 134.28 2avg s LYS 43 Ca 0.03 -1.23 0.00 0.00 -1.56 0.00 0.00 55.97 53.21 2avg s LYS 43 Cb -0.07 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.74 2avg s LYS 43 CO -0.00 0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.00 2avg n GLY 44 N -1.45 0.00 0.00 5.54 0.00 -1.24 -2.34 105.19 105.71 2avg n GLY 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.91 -3.15 118.16 122.55 2avg n LYS 45 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2avg n LYS 45 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 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 -0.69 0.00 -2.68 2.13 4.27 -1.25 -4.90 117.44 114.31 2avg n TRP 46 Ca 0.00 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.40 2avg n TRP 46 Cb 0.06 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.04 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 2.81 0.20 -1.67 1.01 -0.99 -4.93 120.40 116.83 2avg s VAL 47 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2avg s VAL 47 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2avg s VAL 47 CO 0.00 -0.03 0.01 1.51 0.00 0.00 0.00 175.10 176.59 2avg s ASP 48 N -4.40 4.76 -0.19 3.32 1.47 -1.26 0.06 116.67 120.42 2avg s ASP 48 Ca 0.56 -0.44 0.04 0.00 1.18 0.00 0.00 52.55 53.89 2avg s ASP 48 Cb -0.10 -1.00 -0.21 0.00 -0.34 0.00 0.00 42.92 41.26 2avg s ASP 48 CO 0.38 0.06 0.06 0.18 0.68 0.00 0.00 175.17 176.54 2avg n LEU 49 N -0.36 2.06 0.33 2.11 4.32 -1.26 -4.47 117.00 119.73 2avg n LEU 49 Ca -0.09 0.03 0.20 0.00 -0.02 0.00 0.00 56.01 56.13 2avg n LEU 49 Cb 0.56 -0.55 1.09 0.00 -1.62 0.00 0.00 43.42 42.90 2avg n LEU 49 CO 0.39 0.77 1.17 -1.28 -1.22 0.00 0.00 177.39 177.22 2avg h SER 50 N 0.02 0.00 0.17 -1.43 0.87 -1.97 0.76 113.55 111.97 2avg h SER 50 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2avg h SER 50 Cb 2.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 2avg h SER 50 CO -0.01 0.00 -1.59 -1.20 -0.53 0.00 0.00 176.83 173.50 2avg n SER 51 N -3.10 0.34 -0.10 6.23 7.64 -1.26 -4.62 113.62 118.75 2avg n SER 51 Ca -0.03 -0.15 -0.17 0.00 1.01 0.00 0.00 58.87 59.53 2avg n SER 51 Cb 0.16 1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 64.80 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 -2.14 0.48 0.00 1.43 4.76 0.24 -4.99 118.16 117.94 2avg n LYS 52 Ca -0.01 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2avg n LYS 52 Cb 0.51 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 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 -4.19 0.00 0.00 -0.18 0.31 0.12 -4.70 118.33 109.69 2avg n VAL 53 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2avg n VAL 53 Cb 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 0.00 3.29 0.15 2.92 0.00 0.43 -4.86 105.19 107.12 2avg n GLY 54 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.96 2avg n GLY 54 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2avg h GLN 55 N 0.00 0.00 0.04 1.61 4.15 -1.96 -2.94 115.11 116.00 2avg h GLN 55 Ca 0.00 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.05 2avg h GLN 55 Cb 0.00 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 2avg h GLN 55 CO 0.00 0.55 -2.24 -2.39 -1.93 0.00 0.00 178.83 172.82 2avg n HIS 56 N -3.70 0.48 -3.91 3.99 1.44 -1.26 -4.75 115.22 107.51 2avg n HIS 56 Ca -0.01 0.12 -0.30 0.00 -2.01 0.00 0.00 57.72 55.52 2avg n HIS 56 Cb 0.59 -1.07 -0.15 0.00 0.12 0.00 0.00 29.99 29.48 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 -6.45 3.06 -0.36 2.39 0.20 -1.22 -0.56 118.68 115.73 2avg s LEU 57 Ca -0.24 -1.53 -0.16 0.00 0.69 0.00 0.00 54.13 52.89 2avg s LEU 57 Cb 0.08 -1.22 -0.00 0.00 -0.43 0.00 0.00 46.19 44.61 2avg s LEU 57 CO 0.71 -0.31 0.41 -1.10 -0.29 0.00 0.00 176.35 175.77 2avg s GLN 58 N 1.32 3.46 -0.76 1.98 1.11 0.98 0.16 119.66 127.90 2avg s GLN 58 Ca 0.02 -0.46 -0.15 0.00 0.01 0.00 0.00 55.36 54.78 2avg s GLN 58 Cb -0.19 -3.85 0.19 0.00 -1.01 0.00 0.00 33.01 28.16 2avg s GLN 58 CO -0.11 -0.63 0.72 -1.17 0.01 0.00 0.00 175.29 174.12 2avg s LEU 59 N 2.11 6.54 0.47 2.90 0.20 -1.26 0.36 118.68 130.01 2avg s LEU 59 Ca 0.13 -2.44 -0.05 0.00 0.69 0.00 0.00 54.13 52.46 2avg s LEU 59 Cb -0.16 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.34 2avg s LEU 59 CO 0.12 -0.67 0.77 -1.00 -0.29 0.00 0.00 176.35 175.29 2avg s HIS 60 N 0.63 3.56 -0.19 5.38 3.76 0.73 -4.89 115.29 124.27 2avg s HIS 60 Ca 0.15 0.80 -0.03 0.00 -0.15 0.00 0.00 55.06 55.83 2avg s HIS 60 Cb -0.15 -2.28 0.06 0.00 1.11 0.00 0.00 32.58 31.32 2avg s HIS 60 CO -0.06 -0.25 0.04 0.16 -0.85 0.00 0.00 174.74 173.77 2avg s ASP 61 N -4.08 2.83 0.19 1.40 -4.77 -1.25 -0.70 116.67 110.29 2avg s ASP 61 Ca 0.47 -0.79 -0.10 0.00 -3.30 0.00 0.00 52.55 48.84 2avg s ASP 61 Cb -0.10 -0.56 -0.07 0.00 -1.09 0.00 0.00 42.92 41.10 2avg s ASP 61 CO 0.44 -0.31 0.51 -0.44 0.70 0.00 0.00 175.17 176.07 2avg s SER 62 N 1.88 6.64 -0.30 2.11 0.01 0.36 -4.91 113.70 119.49 2avg s SER 62 Ca -0.01 0.88 -0.02 0.00 1.31 0.00 0.00 55.95 58.11 2avg s SER 62 Cb -0.17 -2.21 0.11 0.00 0.21 0.00 0.00 66.02 63.97 2avg s SER 62 CO -0.08 -0.00 0.18 -0.47 0.41 0.00 0.00 173.24 173.28 2avg s TYR 63 N -1.70 0.18 -0.15 2.43 5.04 -1.26 -0.96 117.35 120.93 2avg s TYR 63 Ca 0.44 -0.83 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 2avg s TYR 63 Cb -0.12 -0.79 0.00 0.00 0.35 0.00 0.00 41.96 41.40 2avg s TYR 63 CO 0.21 -0.85 -0.18 0.34 -1.34 0.00 0.00 175.55 173.72 2avg s ASP 64 N 1.99 3.41 -0.03 4.32 2.15 -0.72 -4.98 116.67 122.82 2avg s ASP 64 Ca 0.11 -0.54 -0.00 0.00 0.43 0.00 0.00 52.55 52.55 2avg s ASP 64 Cb -0.16 -1.51 -0.26 0.00 -0.30 0.00 0.00 42.92 40.68 2avg s ASP 64 CO -0.30 0.08 0.71 -0.09 -0.17 0.00 0.00 175.17 175.40 2avg h ARG 65 N 7.37 0.20 -0.37 4.34 1.12 -1.93 0.10 114.38 125.20 2avg h ARG 65 Ca -0.33 -0.34 -0.08 0.00 -1.11 0.00 0.00 59.98 58.12 2avg h ARG 65 Cb 1.19 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 31.25 2avg h ARG 65 CO 0.57 1.00 -0.08 0.00 -3.11 0.00 0.00 179.97 178.35 2avg h ALA 66 N 0.51 1.16 0.00 2.80 0.00 -1.96 -1.67 119.26 120.10 2avg h ALA 66 Ca -0.29 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2avg h ALA 66 Cb 2.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2avg h ALA 66 CO 0.13 0.53 -0.96 0.43 0.00 0.00 0.00 179.25 179.38 2avg n SER 67 N -4.20 0.80 -1.99 0.00 7.64 -1.25 -4.95 113.62 109.66 2avg n SER 67 Ca 0.01 0.25 -0.15 0.00 1.01 0.00 0.00 58.87 59.99 2avg n SER 67 Cb 0.32 0.45 0.01 0.00 -1.01 0.00 0.00 64.21 63.98 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 -2.53 -2.58 -4.09 1.43 4.81 -0.45 -4.95 118.16 109.80 2avg n LYS 68 Ca 0.01 0.67 -0.26 0.00 -0.87 0.00 0.00 58.31 57.86 2avg n LYS 68 Cb 0.52 -4.98 -0.17 0.00 0.02 0.00 0.00 35.03 30.42 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 -2.89 1.04 -0.45 3.15 1.01 0.24 0.58 120.40 123.08 2avg s VAL 69 Ca 0.13 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 2avg s VAL 69 Cb -0.06 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.33 2avg s VAL 69 CO 0.16 0.36 0.47 -0.31 0.00 0.00 0.00 175.10 175.78 2avg s TYR 70 N 1.41 3.16 -0.50 5.22 2.02 0.20 -1.75 117.35 127.10 2avg s TYR 70 Ca -0.01 -0.49 -0.20 0.00 -0.37 0.00 0.00 57.07 56.01 2avg s TYR 70 Cb -0.13 -3.07 0.05 0.00 -0.40 0.00 0.00 41.96 38.41 2avg s TYR 70 CO -0.05 -0.78 0.65 -1.17 -1.57 0.00 0.00 175.55 172.63 2avg s LEU 71 N 2.17 4.86 -0.42 -1.29 2.96 -0.13 -0.86 118.68 125.97 2avg s LEU 71 Ca 0.12 -0.82 -0.21 0.00 -0.22 0.00 0.00 54.13 53.00 2avg s LEU 71 Cb -0.19 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.03 2avg s LEU 71 CO 0.12 -0.91 0.66 -0.36 -1.32 0.00 0.00 176.35 174.55 2avg s PHE 72 N 2.75 3.08 -0.08 5.38 0.40 0.11 0.14 117.98 129.75 2avg s PHE 72 Ca 0.17 0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.62 2avg s PHE 72 Cb -0.18 -3.34 -0.00 0.00 0.51 0.00 0.00 43.02 40.00 2avg s PHE 72 CO 0.13 -0.83 -0.22 -1.83 0.70 0.00 0.00 175.22 173.17 2avg s GLU 73 N 2.86 2.60 -0.17 0.44 4.04 0.12 0.78 118.70 129.38 2avg s GLU 73 Ca 0.24 -0.81 -0.11 0.00 0.04 0.00 0.00 54.97 54.33 2avg s GLU 73 Cb -0.14 -2.08 -0.05 0.00 0.02 0.00 0.00 34.13 31.89 2avg s GLU 73 CO 0.18 0.23 0.20 -0.51 -1.84 0.00 0.00 175.26 173.53 2avg s LEU 74 N 0.18 4.26 -0.42 1.83 1.43 0.12 -0.19 118.68 125.89 2avg s LEU 74 Ca -0.12 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2avg s LEU 74 Cb -0.16 -2.22 0.11 0.00 0.03 0.00 0.00 46.19 43.96 2avg s LEU 74 CO 0.06 0.18 0.17 -1.00 0.23 0.00 0.00 176.35 176.00 2avg s HIS 75 N 0.17 3.59 -0.32 0.29 3.76 0.16 -2.97 115.29 119.96 2avg s HIS 75 Ca 0.13 -2.80 0.03 0.00 -0.15 0.00 0.00 55.06 52.27 2avg s HIS 75 Cb -0.12 -3.05 0.09 0.00 1.11 0.00 0.00 32.58 30.61 2avg s HIS 75 CO 0.02 -0.92 0.04 0.42 -0.85 0.00 0.00 174.74 173.45 2avg s ILE 76 N 0.72 1.91 0.44 0.60 1.01 -0.91 -0.02 121.20 124.96 2avg s ILE 76 Ca 0.11 -2.00 0.08 0.00 0.00 0.00 0.00 60.65 58.84 2avg s ILE 76 Cb -0.21 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2avg s ILE 76 CO -0.05 -0.53 0.47 0.42 0.00 0.00 0.00 174.94 175.24 2avg s THR 77 N 1.11 2.61 -0.93 2.92 -4.23 0.28 -0.41 115.64 116.99 2avg s THR 77 Ca 0.08 -1.24 -0.09 0.00 -1.18 0.00 0.00 61.69 59.26 2avg s THR 77 Cb -0.19 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 70.82 2avg s THR 77 CO -0.11 0.00 0.62 0.47 -0.54 0.00 0.00 174.62 175.05 2avg n ASP 78 N -1.71 -4.57 -4.64 3.99 9.92 0.16 -4.78 116.55 114.91 2avg n ASP 78 Ca 0.05 -1.07 -0.43 0.00 -0.53 0.00 0.00 54.79 52.82 2avg n ASP 78 Cb 0.61 -1.58 -0.03 0.00 -0.64 0.00 0.00 41.12 39.49 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2avg s ALA 79 N -3.13 3.32 0.61 2.24 0.00 -1.26 -4.68 121.76 118.87 2avg s ALA 79 Ca 0.13 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 2avg s ALA 79 Cb -0.07 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 2avg s ALA 79 CO 0.92 -1.89 1.15 -1.14 0.00 0.00 0.00 175.76 174.80 2avg s GLN 80 N 4.77 2.94 0.00 0.00 0.74 -1.26 -3.63 119.66 123.22 2avg s GLN 80 Ca 0.80 1.61 0.09 0.00 0.05 0.00 0.00 55.36 57.92 2avg s GLN 80 Cb -0.32 -1.95 0.42 0.00 1.10 0.00 0.00 33.01 32.26 2avg s GLN 80 CO 0.33 -1.18 1.24 -0.35 -0.55 0.00 0.00 175.29 174.78 2avg n PRO 81 N -1.88 0.05 -0.49 1.67 -0.04 -1.26 -0.13 135.00 132.92 2avg n PRO 81 Ca 0.12 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 2avg n PRO 81 Cb 0.51 -1.50 0.29 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 -1.41 2.90 1.05 0.55 0.00 -1.26 -4.36 120.51 117.97 2avg n ALA 82 Ca 0.03 -1.70 0.11 0.00 0.00 0.00 0.00 53.44 51.88 2avg n ALA 82 Cb 0.09 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 0.54 0.00 -0.27 0.00 3.01 0.82 -4.72 117.46 116.84 2avg n PHE 83 Ca 0.22 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.62 2avg n PHE 83 Cb 0.80 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 40.20 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 -0.59 0.00 -1.61 4.37 -1.04 -1.25 -3.86 114.28 110.30 2avg n THR 84 Ca 0.08 -0.04 -0.47 0.00 -2.04 0.00 0.00 64.05 61.58 2avg n THR 84 Cb 0.40 -0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 68.82 2avg n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avg n GLY 85 N 1.08 1.17 2.51 3.41 0.00 0.25 -0.06 105.19 113.54 2avg n GLY 85 Ca 0.12 0.86 -0.28 0.00 0.00 0.00 0.00 46.02 46.72 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 5.21 4.95 3.63 -0.02 0.00 -1.20 -1.52 105.19 116.24 2avg n GLY 86 Ca 0.28 -2.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.10 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 -2.63 2.54 -0.31 1.61 1.51 -0.78 -3.58 117.35 115.70 2avg s TYR 87 Ca 0.41 0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 57.19 2avg s TYR 87 Cb 0.16 -3.88 0.02 0.00 -0.11 0.00 0.00 41.96 38.16 2avg s TYR 87 CO -0.02 -2.07 0.08 1.03 -1.11 0.00 0.00 175.55 173.45 2avg s ARG 88 N 4.21 2.94 -0.39 -0.62 0.52 0.06 -2.33 118.95 123.34 2avg s ARG 88 Ca 0.60 -0.96 -0.13 0.00 -0.52 0.00 0.00 55.73 54.72 2avg s ARG 88 Cb -0.20 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 31.92 2avg s ARG 88 CO 0.24 -0.51 0.26 0.00 0.02 0.00 0.00 175.30 175.31 2avg s GLU 90 N 1.63 2.18 -0.10 0.00 8.01 -0.71 -0.57 118.70 129.15 2avg s GLU 90 Ca 0.04 -1.23 -0.06 0.00 0.01 0.00 0.00 54.97 53.72 2avg s GLU 90 Cb -0.19 -2.80 -0.04 0.00 -4.31 0.00 0.00 34.13 26.79 2avg s GLU 90 CO 0.09 -0.54 0.14 0.54 0.01 0.00 0.00 175.26 175.50 2avg s VAL 91 N 1.17 5.48 -0.20 2.63 0.11 -0.82 -1.38 120.40 127.39 2avg s VAL 91 Ca -0.07 0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 2avg s VAL 91 Cb -0.19 -3.41 0.07 0.00 -1.53 0.00 0.00 36.38 31.31 2avg s VAL 91 CO -0.06 0.58 0.06 -0.55 -3.33 0.00 0.00 175.10 171.79 2avg s SER 92 N -1.16 2.93 0.03 3.54 0.15 0.22 -3.10 113.70 116.31 2avg s SER 92 Ca 0.17 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 55.98 2avg s SER 92 Cb -0.12 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.64 2avg s SER 92 CO 0.06 -0.33 -0.11 -0.89 1.20 0.00 0.00 173.24 173.17 2avg s THR 93 N 1.91 0.87 0.00 6.45 2.01 -0.82 -1.92 115.64 124.14 2avg s THR 93 Ca 0.01 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2avg s THR 93 Cb -0.17 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2avg s THR 93 CO -0.11 -0.01 0.00 2.29 -0.69 0.00 0.00 174.62 176.09 2avg n LYS 94 N 2.10 0.00 0.00 4.92 -0.00 -1.26 0.10 118.16 124.02 2avg n LYS 94 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2avg n LYS 94 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 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 -4.69 -5.58 2.03 -1.26 -5.04 116.55 102.01 2avg n ASP 95 Ca 0.00 -0.88 -0.40 0.00 0.52 0.00 0.00 54.79 54.03 2avg n ASP 95 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 4.31 -0.13 -0.67 2.20 0.28 -1.10 119.74 124.63 2avg s LYS 96 Ca 0.00 0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 56.32 2avg s LYS 96 Cb 0.00 -3.52 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2avg s LYS 96 CO 0.00 -0.10 -0.05 0.12 -0.36 0.00 0.00 175.35 174.96 2avg s PHE 97 N 1.40 1.43 0.00 4.03 5.36 -1.26 -1.94 117.98 127.01 2avg s PHE 97 Ca 0.32 -0.80 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 2avg s PHE 97 Cb -0.16 -1.20 -0.01 0.00 -0.34 0.00 0.00 43.02 41.31 2avg s PHE 97 CO 0.13 -0.53 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.77 2avg s ASP 98 N 1.72 0.86 0.02 6.13 1.01 -1.18 -5.04 116.67 120.19 2avg s ASP 98 Ca 0.03 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.11 2avg s ASP 98 Cb -0.14 -0.07 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 2avg s ASP 98 CO -0.08 0.04 -0.06 0.00 0.21 0.00 0.00 175.17 175.29 2avg s SER 100 N -0.73 2.23 -0.24 0.00 1.04 0.27 -4.99 113.70 111.27 2avg s SER 100 Ca -0.03 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 2avg s SER 100 Cb -0.05 -0.77 -0.05 0.00 0.10 0.00 0.00 66.02 65.25 2avg s SER 100 CO 0.00 -0.15 0.14 0.54 0.98 0.00 0.00 173.24 174.75 2avg s ASN 101 N 1.75 5.88 -0.05 7.02 6.03 -1.26 -1.28 114.94 133.03 2avg s ASN 101 Ca 0.04 0.03 -0.03 0.00 -1.03 0.00 0.00 52.86 51.87 2avg s ASN 101 Cb -0.13 -2.06 0.02 0.00 -3.03 0.00 0.00 41.25 36.05 2avg s ASN 101 CO -0.08 0.03 0.11 0.72 -2.03 0.00 0.00 177.10 175.86 2avg s PHE 102 N 1.24 -0.12 -0.16 1.54 -0.71 -0.98 -4.86 117.98 113.93 2avg s PHE 102 Ca 0.07 0.34 -0.06 0.00 -1.04 0.00 0.00 56.93 56.24 2avg s PHE 102 Cb -0.14 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 2avg s PHE 102 CO 0.06 -0.10 0.03 -0.80 -1.34 0.00 0.00 175.22 173.07 2avg s ASN 103 N 0.55 5.43 -0.44 1.98 0.01 -1.24 -1.87 114.94 119.35 2avg s ASN 103 Ca -0.04 0.07 -0.14 0.00 -0.71 0.00 0.00 52.86 52.04 2avg s ASN 103 Cb -0.06 -1.84 0.06 0.00 0.41 0.00 0.00 41.25 39.82 2avg s ASN 103 CO -0.02 0.23 0.34 -0.22 -1.51 0.00 0.00 177.10 175.91 2avg s LEU 104 N 0.05 5.37 -0.75 0.60 2.96 -0.58 -1.79 118.68 124.54 2avg s LEU 104 Ca 0.04 -1.24 -0.21 0.00 -0.22 0.00 0.00 54.13 52.51 2avg s LEU 104 Cb -0.13 -2.13 0.10 0.00 0.50 0.00 0.00 46.19 44.53 2avg s LEU 104 CO 0.01 -0.57 1.00 -0.89 -1.32 0.00 0.00 176.35 174.58 2avg s THR 105 N 1.61 4.52 -0.38 3.68 2.01 0.61 0.85 115.64 128.53 2avg s THR 105 Ca 0.04 -0.86 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 2avg s THR 105 Cb -0.23 -4.70 0.02 0.00 0.01 0.00 0.00 72.50 67.60 2avg s THR 105 CO 0.07 -1.44 0.88 0.54 -0.69 0.00 0.00 174.62 173.98 2avg s VAL 106 N 3.44 4.61 -0.69 3.82 0.11 -1.25 -0.96 120.40 129.47 2avg s VAL 106 Ca 0.25 1.03 -0.23 0.00 -2.93 0.00 0.00 61.98 60.10 2avg s VAL 106 Cb -0.13 -4.31 0.07 0.00 -1.53 0.00 0.00 36.38 30.47 2avg s VAL 106 CO 0.03 -0.55 1.03 -1.00 -3.33 0.00 0.00 175.10 171.27 2avg s HIS 107 N 3.41 2.64 0.04 1.54 3.76 0.30 -4.82 115.29 122.16 2avg s HIS 107 Ca 0.36 -0.54 -0.21 0.00 -0.15 0.00 0.00 55.06 54.52 2avg s HIS 107 Cb -0.12 -4.35 -0.15 0.00 1.11 0.00 0.00 32.58 29.08 2avg s HIS 107 CO 0.19 -1.70 1.36 1.49 -0.85 0.00 0.00 174.74 175.23 2avg h GLU 108 N 9.59 0.31 -5.11 1.40 4.81 -1.90 -2.28 114.58 121.40 2avg h GLU 108 Ca -0.25 -0.15 -0.41 0.00 -0.13 0.00 0.00 59.36 58.42 2avg h GLU 108 Cb 1.06 -0.00 0.08 0.00 0.63 0.00 0.00 28.75 30.52 2avg h GLU 108 CO 1.20 0.68 -0.64 0.00 -0.73 0.00 0.00 179.01 179.51 2avg n ALA 109 N -2.39 -1.11 1.20 2.92 0.00 -1.26 -4.84 120.51 115.02 2avg n ALA 109 Ca -0.06 0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.79 2avg n ALA 109 Cb 0.33 -4.46 0.57 0.00 0.00 0.00 0.00 19.45 15.88 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38