#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 4.20 -1.33 -2.24 1.01 -1.26 -4.92 116.67 112.13 2avg s ASP 2 Ca 0.00 -0.03 -0.08 0.00 0.71 0.00 0.00 52.55 53.15 2avg s ASP 2 Cb 0.00 -0.36 -0.09 0.00 1.01 0.00 0.00 42.92 43.49 2avg s ASP 2 CO 0.00 -1.97 2.72 -0.81 0.21 0.00 0.00 175.17 175.32 2avg n PRO 3 N -3.05 3.12 0.07 8.23 -0.04 -1.26 -4.44 135.00 137.62 2avg n PRO 3 Ca 0.13 -1.91 -0.04 0.00 -0.04 0.00 0.00 63.50 61.65 2avg n PRO 3 Cb 0.60 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 2avg n PRO 3 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2avg h ILE 4 N 3.09 0.00 -0.59 0.52 5.03 -2.00 -3.49 117.51 120.07 2avg h ILE 4 Ca 0.73 -0.53 0.00 0.00 -0.12 0.00 0.00 64.86 64.94 2avg h ILE 4 Cb 0.30 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.09 2avg h ILE 4 CO 1.61 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 179.69 2avg n GLY 5 N 1.04 0.91 0.26 5.37 0.00 -1.26 -4.93 105.19 106.58 2avg n GLY 5 Ca -0.03 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.06 -7.86 0.99 5.85 -1.93 -2.44 115.31 109.87 2avg h LEU 6 Ca 0.00 0.15 -0.71 0.00 0.84 0.00 0.00 57.88 58.16 2avg h LEU 6 Cb 0.52 0.22 -0.17 0.00 0.37 0.00 0.00 40.66 41.60 2avg h LEU 6 CO 0.00 -0.06 1.18 -0.36 -0.34 0.00 0.00 178.44 178.86 2avg s PHE 7 N -6.07 3.25 0.21 1.25 0.40 -1.26 -0.95 117.98 114.81 2avg s PHE 7 Ca -0.13 -1.73 -0.05 0.00 -0.60 0.00 0.00 56.93 54.43 2avg s PHE 7 Cb 0.21 -4.34 0.18 0.00 0.51 0.00 0.00 43.02 39.58 2avg s PHE 7 CO 0.75 -1.48 1.64 0.28 0.70 0.00 0.00 175.22 177.11 2avg h VAL 8 N 5.32 1.27 -2.90 -0.44 2.07 -0.62 -3.43 116.25 117.52 2avg h VAL 8 Ca 0.25 -1.29 -0.16 0.00 0.82 0.00 0.00 66.70 66.33 2avg h VAL 8 Cb 0.95 1.13 -0.27 0.00 -1.52 0.00 0.00 31.29 31.57 2avg h VAL 8 CO 1.20 0.44 -0.39 -0.32 0.02 0.00 0.00 177.57 178.52 2avg s MET 9 N -4.69 0.31 -0.15 1.57 -2.45 -1.04 -4.98 119.30 107.87 2avg s MET 9 Ca -0.10 0.58 -0.14 0.00 -1.25 0.00 0.00 55.69 54.79 2avg s MET 9 Cb 0.13 -0.01 -0.05 0.00 1.25 0.00 0.00 34.83 36.16 2avg s MET 9 CO 0.84 -0.13 0.29 1.03 1.05 0.00 0.00 175.02 178.10 2avg s ARG 10 N 0.98 4.21 0.74 4.11 0.52 -1.26 -1.68 118.95 126.58 2avg s ARG 10 Ca -0.07 0.10 -0.15 0.00 -0.52 0.00 0.00 55.73 55.08 2avg s ARG 10 Cb -0.07 -3.41 0.04 0.00 0.52 0.00 0.00 34.95 32.03 2avg s ARG 10 CO -0.07 0.27 1.25 -1.25 0.02 0.00 0.00 175.30 175.52 2avg s PRO 11 N 0.36 2.04 0.36 3.54 0.04 -1.23 -4.94 135.00 135.17 2avg s PRO 11 Ca 0.17 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.16 2avg s PRO 11 Cb -0.13 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2avg s PRO 11 CO 0.04 -1.95 0.04 -0.65 0.04 0.00 0.00 177.00 174.52 2avg s GLN 12 N -3.79 1.79 0.00 4.56 -1.52 -1.26 -4.72 119.66 114.71 2avg s GLN 12 Ca 0.78 -2.00 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 2avg s GLN 12 Cb -0.33 -1.19 0.00 0.00 -0.22 0.00 0.00 33.01 31.27 2avg s GLN 12 CO 0.46 -0.14 0.00 -0.40 -0.25 0.00 0.00 175.29 174.96 2avg n ASP 13 N -0.82 0.00 0.00 5.90 5.75 -1.26 -4.73 116.55 121.39 2avg n ASP 13 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 2avg n ASP 13 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2avg n GLY 14 N 2.71 3.63 3.35 6.12 0.00 0.44 -4.84 105.19 116.60 2avg n GLY 14 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.96 2.86 0.12 1.61 8.01 -1.26 -0.00 118.70 129.08 2avg s GLU 15 Ca 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 54.97 53.95 2avg s GLU 15 Cb 0.00 -3.58 -0.04 0.00 -4.31 0.00 0.00 34.13 26.19 2avg s GLU 15 CO 0.00 -0.62 -0.00 0.14 0.01 0.00 0.00 175.26 174.79 2avg s VAL 16 N 1.51 0.43 0.26 2.63 -7.23 -0.37 -4.94 120.40 112.69 2avg s VAL 16 Ca 0.01 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2avg s VAL 16 Cb -0.19 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2avg s VAL 16 CO 0.05 -0.64 0.47 -0.89 -0.31 0.00 0.00 175.10 173.78 2avg s THR 17 N -3.81 5.13 -0.42 5.32 2.01 -1.26 0.13 115.64 122.75 2avg s THR 17 Ca 0.19 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 2avg s THR 17 Cb 0.07 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2avg s THR 17 CO -0.01 -0.32 1.73 -0.69 -0.69 0.00 0.00 174.62 174.64 2avg s VAL 18 N -2.05 3.54 0.00 3.82 1.01 -0.27 -1.65 120.40 124.80 2avg s VAL 18 Ca 0.40 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.89 2avg s VAL 18 Cb -0.10 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2avg s VAL 18 CO 0.31 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.41 2avg n GLY 19 N 5.42 0.99 0.00 4.51 0.00 -1.25 -4.99 105.19 109.87 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 -0.13 0.63 3.52 -0.02 0.00 -0.66 -4.67 105.19 103.86 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 -0.10 -0.02 1.61 1.04 -1.26 -0.04 113.70 113.93 2avg s SER 21 Ca 0.00 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.51 2avg s SER 21 Cb 0.00 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2avg s SER 21 CO 0.00 -1.07 0.19 -0.51 0.98 0.00 0.00 173.24 172.83 2avg s ILE 22 N -3.98 0.06 -0.02 -1.02 1.10 0.21 -4.75 121.20 112.81 2avg s ILE 22 Ca 0.19 -0.49 0.00 0.00 -0.51 0.00 0.00 60.65 59.84 2avg s ILE 22 Cb 0.00 -0.45 0.03 0.00 0.15 0.00 0.00 42.46 42.19 2avg s ILE 22 CO 0.05 -0.27 0.03 -0.89 -2.11 0.00 0.00 174.94 171.74 2avg s THR 23 N -1.04 -0.04 0.19 4.00 2.01 -1.26 -0.95 115.64 118.54 2avg s THR 23 Ca -0.11 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2avg s THR 23 Cb -0.06 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 72.32 2avg s THR 23 CO 0.02 0.09 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.56 2avg s PHE 24 N 1.01 1.55 -0.03 4.92 0.08 -1.09 -4.94 117.98 119.48 2avg s PHE 24 Ca -0.09 -0.66 -0.01 0.00 0.12 0.00 0.00 56.93 56.29 2avg s PHE 24 Cb -0.12 -0.76 0.03 0.00 -0.57 0.00 0.00 43.02 41.60 2avg s PHE 24 CO -0.03 0.24 0.06 -1.12 -0.10 0.00 0.00 175.22 174.26 2avg s SER 25 N -3.27 0.11 -0.09 1.36 0.01 -1.26 -0.63 113.70 109.93 2avg s SER 25 Ca 0.21 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.59 2avg s SER 25 Cb 0.01 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.23 2avg s SER 25 CO 0.05 -0.14 -0.16 0.00 0.41 0.00 0.00 173.24 173.40 2avg s ALA 26 N 1.18 1.62 -0.23 1.44 0.00 0.20 -3.52 121.76 122.46 2avg s ALA 26 Ca -0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 2avg s ALA 26 Cb -0.13 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2avg s ALA 26 CO -0.04 0.04 0.01 1.03 0.00 0.00 0.00 175.76 176.81 2avg s ARG 27 N 0.79 3.56 -0.10 0.00 0.52 -0.67 -0.27 118.95 122.77 2avg s ARG 27 Ca -0.11 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 2avg s ARG 27 Cb -0.16 -3.16 0.01 0.00 0.52 0.00 0.00 34.95 32.17 2avg s ARG 27 CO 0.02 -0.13 -0.19 0.08 0.02 0.00 0.00 175.30 175.10 2avg s VAL 28 N 1.40 1.69 -0.23 3.52 1.01 -0.23 -1.16 120.40 126.40 2avg s VAL 28 Ca 0.05 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 2avg s VAL 28 Cb -0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2avg s VAL 28 CO 0.01 0.48 2.16 0.00 0.00 0.00 0.00 175.10 177.75 2avg s ALA 29 N 0.67 2.75 0.16 5.51 0.00 -0.13 0.52 121.76 131.25 2avg s ALA 29 Ca -0.13 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 2avg s ALA 29 Cb -0.16 -4.06 0.10 0.00 0.00 0.00 0.00 23.12 18.99 2avg s ALA 29 CO 0.03 -2.76 1.71 0.78 0.00 0.00 0.00 175.76 175.52 2avg h GLY 30 N 14.84 0.41 -0.06 0.00 0.00 -0.34 -3.43 103.07 114.50 2avg h GLY 30 Ca -0.40 0.02 0.01 0.00 0.00 0.00 0.00 47.33 46.96 2avg h GLY 30 CO 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 176.54 177.43 2avg n ALA 31 N -2.50 -0.08 -1.68 3.60 0.00 -1.26 -4.23 120.51 114.37 2avg n ALA 31 Ca 0.02 0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 2avg n ALA 31 Cb 0.19 -0.03 0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.19 4.27 -4.08 0.00 7.64 -1.26 -5.06 113.62 111.95 2avg n SER 32 Ca 0.00 -3.79 -0.29 0.00 1.01 0.00 0.00 58.87 55.80 2avg n SER 32 Cb 0.01 -0.57 0.27 0.00 -1.01 0.00 0.00 64.21 62.91 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 -0.93 -1.50 0.00 -3.43 -0.00 -1.26 -4.94 117.00 104.94 2avg n LEU 33 Ca 0.42 -0.41 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2avg n LEU 33 Cb 0.92 -1.14 -0.05 0.00 -0.00 0.00 0.00 43.42 43.15 2avg n LEU 33 CO 0.36 -3.73 0.87 0.25 -0.00 0.00 0.00 177.39 175.14 2avg h LEU 34 N -2.99 -0.01 -7.75 1.47 5.85 -1.96 -3.44 115.31 106.48 2avg h LEU 34 Ca -0.56 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.04 2avg h LEU 34 Cb 1.33 0.03 -0.20 0.00 0.37 0.00 0.00 40.66 42.18 2avg h LEU 34 CO 0.41 0.01 -0.49 -1.59 -0.34 0.00 0.00 178.44 176.44 2avg s LYS 35 N -6.19 0.49 0.31 1.25 0.00 -1.26 -5.09 119.74 109.25 2avg s LYS 35 Ca -0.13 -0.41 -0.26 0.00 0.00 0.00 0.00 55.97 55.17 2avg s LYS 35 Cb 0.08 0.20 -0.15 0.00 0.00 0.00 0.00 37.83 37.97 2avg s LYS 35 CO 0.67 -0.12 0.65 -0.35 0.00 0.00 0.00 175.35 176.20 2avg n PRO 36 N 1.42 0.58 -1.67 1.78 -0.04 -1.26 -4.66 135.00 131.15 2avg n PRO 36 Ca -0.23 0.21 -0.44 0.00 -0.04 0.00 0.00 63.50 63.00 2avg n PRO 36 Cb 0.56 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 2avg n PRO 36 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2avg n PRO 37 N 0.82 1.99 -3.35 0.54 -0.02 -1.26 -4.92 135.00 128.80 2avg n PRO 37 Ca 0.13 0.70 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 2avg n PRO 37 Cb 0.32 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2avg s VAL 38 N -0.59 5.18 -0.29 -1.45 1.01 -1.14 -4.95 120.40 118.17 2avg s VAL 38 Ca 0.62 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2avg s VAL 38 Cb -0.62 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 31.60 2avg s VAL 38 CO 0.56 -0.65 0.03 -0.69 0.00 0.00 0.00 175.10 174.35 2avg s VAL 39 N 1.79 3.46 -0.17 2.92 1.01 -1.26 0.16 120.40 128.31 2avg s VAL 39 Ca 0.06 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 2avg s VAL 39 Cb -0.24 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2avg s VAL 39 CO 0.07 0.05 0.06 -1.59 0.00 0.00 0.00 175.10 173.69 2avg s LYS 40 N 1.40 3.89 0.36 2.72 0.00 -0.23 -4.94 119.74 122.93 2avg s LYS 40 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 55.97 55.59 2avg s LYS 40 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 37.83 34.43 2avg s LYS 40 CO -0.00 0.32 0.62 -1.58 0.00 0.00 0.00 175.35 174.71 2avg s TRP 41 N 0.23 3.50 -0.05 1.78 0.52 -1.26 -0.48 118.94 123.17 2avg s TRP 41 Ca 0.04 0.63 0.02 0.00 0.02 0.00 0.00 56.10 56.81 2avg s TRP 41 Cb -0.12 -2.12 0.02 0.00 -1.15 0.00 0.00 33.47 30.09 2avg s TRP 41 CO 0.00 0.04 -0.09 0.12 0.02 0.00 0.00 176.95 177.05 2avg s PHE 42 N -2.31 1.10 -0.40 -1.98 2.19 -0.50 -3.33 117.98 112.75 2avg s PHE 42 Ca 0.44 -0.36 -0.07 0.00 0.33 0.00 0.00 56.93 57.27 2avg s PHE 42 Cb -0.10 -0.85 0.08 0.00 -1.31 0.00 0.00 43.02 40.83 2avg s PHE 42 CO 0.35 -0.22 0.21 0.21 1.83 0.00 0.00 175.22 177.60 2avg s LYS 43 N 0.69 2.47 -0.93 10.12 2.20 0.21 -1.29 119.74 133.21 2avg s LYS 43 Ca -0.12 -1.49 -0.22 0.00 -0.36 0.00 0.00 55.97 53.78 2avg s LYS 43 Cb -0.14 -3.65 0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2avg s LYS 43 CO 0.02 -0.92 1.27 0.20 -0.36 0.00 0.00 175.35 175.56 2avg s GLY 44 N 1.91 1.49 -0.12 5.54 0.00 -0.55 -1.75 107.32 113.85 2avg s GLY 44 Ca 0.03 -2.34 0.14 0.00 0.00 0.00 0.00 44.72 42.55 2avg s GLY 44 CO 0.01 2.38 0.13 1.17 0.00 0.00 0.00 173.10 176.78 2avg n LYS 45 N 7.95 1.26 0.00 2.90 0.00 -1.26 -1.75 118.16 127.26 2avg n LYS 45 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.51 2avg n LYS 45 Cb 0.50 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 34.14 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 2avg n TRP 46 N -2.44 0.00 -2.62 5.64 4.27 -1.19 -5.01 117.44 116.08 2avg n TRP 46 Ca -0.19 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.20 2avg n TRP 46 Cb 0.85 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.84 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 2.75 -0.10 -1.67 -7.23 -0.71 -4.92 120.40 108.51 2avg s VAL 47 Ca 0.00 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2avg s VAL 47 Cb 0.00 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2avg s VAL 47 CO 0.00 -0.03 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.02 2avg s ASP 48 N -4.42 4.18 0.23 4.85 -1.08 -1.26 0.66 116.67 119.83 2avg s ASP 48 Ca 0.57 -0.23 -0.00 0.00 -0.52 0.00 0.00 52.55 52.36 2avg s ASP 48 Cb -0.10 -1.37 0.23 0.00 -1.46 0.00 0.00 42.92 40.22 2avg s ASP 48 CO 0.39 0.24 1.59 -0.07 0.52 0.00 0.00 175.17 177.84 2avg h LEU 49 N 6.16 0.54 -2.74 -1.34 4.07 -1.85 -3.20 115.31 116.95 2avg h LEU 49 Ca -0.35 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.37 2avg h LEU 49 Cb 1.19 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.78 2avg h LEU 49 CO 0.55 0.91 0.09 0.28 -1.08 0.00 0.00 178.44 179.18 2avg h SER 50 N 0.41 0.00 0.15 -0.43 0.02 -1.96 0.82 113.55 112.55 2avg h SER 50 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2avg h SER 50 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2avg h SER 50 CO 0.08 0.00 -1.74 -1.20 -1.14 0.00 0.00 176.83 172.84 2avg n SER 51 N -3.03 0.23 0.00 3.07 7.64 -1.21 -4.71 113.62 115.60 2avg n SER 51 Ca -0.03 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2avg n SER 51 Cb 0.15 1.65 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 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 -2.23 0.00 -0.35 1.43 4.76 0.27 -5.03 118.16 117.00 2avg n LYS 52 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2avg n LYS 52 Cb 0.54 -0.48 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 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 -2.47 0.00 0.00 -0.18 0.31 -0.23 -4.89 118.33 110.87 2avg n VAL 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2avg n VAL 53 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.48 4.48 0.25 2.92 0.00 0.34 -4.81 105.19 108.85 2avg n GLY 54 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 0.84 0.13 1.61 4.15 -1.96 -2.72 115.11 117.16 2avg h GLN 55 Ca 0.00 -0.19 -0.34 0.00 0.77 0.00 0.00 58.65 58.89 2avg h GLN 55 Cb 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2avg h GLN 55 CO 0.00 0.78 -1.76 1.12 -1.93 0.00 0.00 178.83 177.03 2avg h HIS 56 N 0.74 0.52 -3.71 3.99 2.07 -1.87 -3.42 115.15 113.47 2avg h HIS 56 Ca 0.17 -0.38 -0.63 0.00 -2.85 0.00 0.00 60.37 56.68 2avg h HIS 56 Cb 0.30 -0.02 -0.38 0.00 2.57 0.00 0.00 27.41 29.88 2avg h HIS 56 CO 0.02 1.57 -0.78 -1.17 -3.07 0.00 0.00 177.93 174.50 2avg s LEU 57 N -7.03 3.06 -0.34 6.12 1.98 -1.20 0.40 118.68 121.67 2avg s LEU 57 Ca -0.15 -1.36 -0.16 0.00 -2.89 0.00 0.00 54.13 49.57 2avg s LEU 57 Cb 0.06 -1.34 -0.01 0.00 0.66 0.00 0.00 46.19 45.56 2avg s LEU 57 CO 0.83 -0.24 0.39 -1.10 -1.89 0.00 0.00 176.35 174.34 2avg s GLN 58 N 1.25 3.62 -0.81 1.98 1.11 -0.13 0.13 119.66 126.81 2avg s GLN 58 Ca -0.05 -0.32 -0.17 0.00 0.01 0.00 0.00 55.36 54.83 2avg s GLN 58 Cb -0.19 -3.79 0.16 0.00 -1.01 0.00 0.00 33.01 28.18 2avg s GLN 58 CO -0.07 -0.52 0.88 -1.17 0.01 0.00 0.00 175.29 174.42 2avg s LEU 59 N 2.10 5.85 0.54 2.90 0.20 -1.25 -0.60 118.68 128.42 2avg s LEU 59 Ca 0.13 -2.18 -0.04 0.00 0.69 0.00 0.00 54.13 52.73 2avg s LEU 59 Cb -0.16 -2.30 0.00 0.00 -0.43 0.00 0.00 46.19 43.30 2avg s LEU 59 CO 0.12 -0.87 0.83 -1.00 -0.29 0.00 0.00 176.35 175.14 2avg s HIS 60 N 1.63 3.28 -0.16 5.38 3.76 0.22 -4.87 115.29 124.52 2avg s HIS 60 Ca 0.22 0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 55.66 2avg s HIS 60 Cb -0.11 -2.58 0.05 0.00 1.11 0.00 0.00 32.58 31.05 2avg s HIS 60 CO -0.06 -0.64 0.02 0.16 -0.85 0.00 0.00 174.74 173.37 2avg s ASP 61 N -4.26 2.52 0.06 1.40 -4.77 -1.26 -0.65 116.67 109.72 2avg s ASP 61 Ca 0.52 -0.60 -0.01 0.00 -3.30 0.00 0.00 52.55 49.16 2avg s ASP 61 Cb -0.10 -0.58 -0.04 0.00 -1.09 0.00 0.00 42.92 41.10 2avg s ASP 61 CO 0.43 -0.26 0.24 -0.44 0.70 0.00 0.00 175.17 175.84 2avg s SER 62 N 1.87 6.39 -0.29 2.11 0.01 0.27 -4.91 113.70 119.15 2avg s SER 62 Ca 0.01 0.34 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 2avg s SER 62 Cb -0.15 -1.99 0.13 0.00 0.21 0.00 0.00 66.02 64.21 2avg s SER 62 CO -0.07 0.16 0.26 -0.47 0.41 0.00 0.00 173.24 173.53 2avg s TYR 63 N -1.51 -0.27 -0.34 2.43 5.04 -1.26 0.26 117.35 121.70 2avg s TYR 63 Ca 0.35 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.58 2avg s TYR 63 Cb -0.13 -0.56 0.07 0.00 0.35 0.00 0.00 41.96 41.69 2avg s TYR 63 CO 0.26 -0.90 0.08 0.16 -1.34 0.00 0.00 175.55 173.80 2avg s ASP 64 N 2.24 5.05 0.39 4.32 1.47 -0.71 -4.95 116.67 124.48 2avg s ASP 64 Ca 0.10 -1.53 0.17 0.00 1.18 0.00 0.00 52.55 52.47 2avg s ASP 64 Cb -0.15 -1.76 0.81 0.00 -0.34 0.00 0.00 42.92 41.48 2avg s ASP 64 CO -0.32 -0.36 1.82 -0.09 0.68 0.00 0.00 175.17 176.90 2avg h ARG 65 N 8.02 0.00 -0.17 2.11 1.12 -1.94 0.36 114.38 123.89 2avg h ARG 65 Ca -0.18 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.64 2avg h ARG 65 Cb 1.06 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 2avg h ARG 65 CO 0.59 0.35 -0.10 0.00 -3.11 0.00 0.00 179.97 177.69 2avg h ALA 66 N 1.65 1.52 0.00 2.80 0.00 -1.94 -1.41 119.26 121.88 2avg h ALA 66 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2avg h ALA 66 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2avg h ALA 66 CO 0.05 0.34 -1.06 0.43 0.00 0.00 0.00 179.25 179.01 2avg n SER 67 N -4.29 0.69 -1.98 0.00 7.64 -0.82 -4.96 113.62 109.90 2avg n SER 67 Ca -0.01 0.16 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 2avg n SER 67 Cb 0.25 0.64 0.02 0.00 -1.01 0.00 0.00 64.21 64.11 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 -2.42 -2.74 -4.61 1.43 4.81 0.11 -4.96 118.16 109.79 2avg n LYS 68 Ca 0.00 0.63 -0.24 0.00 -0.87 0.00 0.00 58.31 57.84 2avg n LYS 68 Cb 0.51 -4.89 -0.16 0.00 0.02 0.00 0.00 35.03 30.51 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 -2.90 1.13 -0.45 3.15 1.01 -0.46 0.43 120.40 122.32 2avg s VAL 69 Ca 0.15 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 2avg s VAL 69 Cb -0.07 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.35 2avg s VAL 69 CO 0.19 0.34 0.44 -0.31 0.00 0.00 0.00 175.10 175.75 2avg s TYR 70 N 0.31 3.18 -0.51 5.22 1.51 0.19 -1.74 117.35 125.50 2avg s TYR 70 Ca -0.07 -0.57 -0.19 0.00 -1.01 0.00 0.00 57.07 55.23 2avg s TYR 70 Cb -0.12 -3.02 0.07 0.00 -0.11 0.00 0.00 41.96 38.78 2avg s TYR 70 CO 0.02 -0.76 0.60 -1.17 -1.11 0.00 0.00 175.55 173.13 2avg s LEU 71 N 2.02 5.13 -0.36 -1.29 2.96 0.14 -1.06 118.68 126.22 2avg s LEU 71 Ca 0.09 -1.05 -0.24 0.00 -0.22 0.00 0.00 54.13 52.72 2avg s LEU 71 Cb -0.19 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.12 2avg s LEU 71 CO 0.11 -0.88 0.83 -0.36 -1.32 0.00 0.00 176.35 174.73 2avg s PHE 72 N 2.48 3.10 -0.22 5.38 0.40 0.63 0.97 117.98 130.73 2avg s PHE 72 Ca 0.13 0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 57.00 2avg s PHE 72 Cb -0.21 -3.48 -0.05 0.00 0.51 0.00 0.00 43.02 39.79 2avg s PHE 72 CO 0.10 -0.76 0.13 -1.21 0.70 0.00 0.00 175.22 174.19 2avg s GLU 73 N 3.22 4.11 -0.32 0.44 2.02 0.17 -0.63 118.70 127.71 2avg s GLU 73 Ca 0.34 -0.26 -0.13 0.00 0.02 0.00 0.00 54.97 54.94 2avg s GLU 73 Cb -0.13 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 2avg s GLU 73 CO 0.17 0.19 0.25 -0.51 0.02 0.00 0.00 175.26 175.38 2avg s LEU 74 N 0.68 4.37 -0.51 1.80 2.01 0.20 0.71 118.68 127.94 2avg s LEU 74 Ca 0.07 -0.27 -0.01 0.00 0.01 0.00 0.00 54.13 53.94 2avg s LEU 74 Cb -0.12 -2.18 0.13 0.00 0.01 0.00 0.00 46.19 44.03 2avg s LEU 74 CO 0.01 -0.21 0.30 -1.00 1.01 0.00 0.00 176.35 176.46 2avg s HIS 75 N 1.79 3.47 -0.37 0.29 3.76 0.24 -2.67 115.29 121.79 2avg s HIS 75 Ca 0.08 -2.72 0.02 0.00 -0.15 0.00 0.00 55.06 52.28 2avg s HIS 75 Cb -0.17 -3.12 0.11 0.00 1.11 0.00 0.00 32.58 30.51 2avg s HIS 75 CO 0.11 -0.88 0.11 0.42 -0.85 0.00 0.00 174.74 173.65 2avg s ILE 76 N 0.38 2.58 0.32 0.60 1.01 -0.12 -0.96 121.20 125.01 2avg s ILE 76 Ca 0.14 -2.35 0.07 0.00 0.00 0.00 0.00 60.65 58.51 2avg s ILE 76 Cb -0.22 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2avg s ILE 76 CO -0.04 -0.64 0.25 0.42 0.00 0.00 0.00 174.94 174.94 2avg s THR 77 N 0.86 3.68 -0.78 2.92 -4.23 0.16 0.66 115.64 118.91 2avg s THR 77 Ca 0.11 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.16 2avg s THR 77 Cb -0.20 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.44 2avg s THR 77 CO -0.06 -0.22 0.59 -0.67 -0.54 0.00 0.00 174.62 173.72 2avg n ASP 78 N -1.30 -4.38 -4.65 3.99 2.03 0.95 -4.54 116.55 108.64 2avg n ASP 78 Ca -0.03 -0.27 -0.53 0.00 0.52 0.00 0.00 54.79 54.48 2avg n ASP 78 Cb 0.59 -3.02 -0.06 0.00 -0.72 0.00 0.00 41.12 37.91 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 -3.65 0.44 -1.73 -1.67 0.00 -1.26 -4.72 120.51 107.92 2avg n ALA 79 Ca -0.01 0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2avg n ALA 79 Cb 0.54 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2avg n ALA 79 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2avg n GLN 80 N 6.41 2.28 0.00 0.00 -0.06 -1.26 -3.83 117.38 120.92 2avg n GLN 80 Ca 0.28 0.80 0.03 0.00 -2.00 0.00 0.00 57.00 56.11 2avg n GLN 80 Cb 0.21 -2.49 0.19 0.00 -4.06 0.00 0.00 30.24 24.08 2avg n GLN 80 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2avg n PRO 81 N 0.30 0.39 0.00 3.69 -0.04 -1.26 -0.27 135.00 137.81 2avg n PRO 81 Ca 0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2avg n PRO 81 Cb 0.38 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.75 2.36 1.57 0.55 0.00 -1.26 -4.69 120.51 118.29 2avg n ALA 82 Ca 0.05 -0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.23 2avg n ALA 82 Cb 0.02 -0.04 0.41 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.35 0.00 -0.23 0.00 3.01 0.62 -4.67 117.46 115.85 2avg n PHE 83 Ca 0.01 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2avg n PHE 83 Cb 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.78 0.00 -1.25 4.37 -1.04 -1.25 -4.18 114.28 110.16 2avg n THR 84 Ca 0.10 -0.08 -0.60 0.00 -2.04 0.00 0.00 64.05 61.44 2avg n THR 84 Cb 0.05 -0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.44 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 0.83 -0.14 2.71 3.41 0.00 0.41 -4.61 105.19 107.79 2avg n GLY 85 Ca 0.10 1.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.97 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 7.35 5.11 3.59 -0.02 0.00 -0.72 -1.52 105.19 118.99 2avg n GLY 86 Ca 0.54 -2.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.04 2.83 -0.34 1.61 1.51 -0.93 -1.48 117.35 117.51 2avg s TYR 87 Ca 0.45 0.60 -0.06 0.00 -1.01 0.00 0.00 57.07 57.05 2avg s TYR 87 Cb 0.25 -4.32 0.04 0.00 -0.11 0.00 0.00 41.96 37.82 2avg s TYR 87 CO -0.10 -1.25 0.10 0.50 -1.11 0.00 0.00 175.55 173.69 2avg s ARG 88 N 4.29 2.61 -0.18 -0.62 3.52 -0.41 -2.87 118.95 125.29 2avg s ARG 88 Ca 0.45 -1.18 -0.19 0.00 -0.13 0.00 0.00 55.73 54.68 2avg s ARG 88 Cb -0.08 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2avg s ARG 88 CO 0.30 -0.66 0.53 0.00 -0.81 0.00 0.00 175.30 174.66 2avg s GLU 90 N 1.50 0.63 -0.05 0.00 2.12 0.37 0.03 118.70 123.29 2avg s GLU 90 Ca 0.25 -0.75 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 2avg s GLU 90 Cb -0.15 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 2avg s GLU 90 CO 0.10 -0.86 0.15 0.54 -0.54 0.00 0.00 175.26 174.65 2avg s VAL 91 N 1.78 5.37 -0.18 3.70 0.11 -0.63 -1.06 120.40 129.48 2avg s VAL 91 Ca 0.05 -0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2avg s VAL 91 Cb -0.17 -3.43 0.06 0.00 -1.53 0.00 0.00 36.38 31.31 2avg s VAL 91 CO -0.20 0.44 0.09 -0.55 -3.33 0.00 0.00 175.10 171.55 2avg s SER 92 N -1.56 2.49 0.04 3.54 0.15 0.12 -3.12 113.70 115.37 2avg s SER 92 Ca 0.22 -0.69 0.04 0.00 0.70 0.00 0.00 55.95 56.21 2avg s SER 92 Cb -0.12 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 2avg s SER 92 CO 0.12 -0.36 -0.11 -0.89 1.20 0.00 0.00 173.24 173.21 2avg s THR 93 N 2.13 0.82 0.00 6.45 2.01 -0.92 -2.90 115.64 123.23 2avg s THR 93 Ca 0.03 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2avg s THR 93 Cb -0.16 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2avg s THR 93 CO -0.12 -0.14 0.00 2.29 -0.69 0.00 0.00 174.62 175.96 2avg n LYS 94 N 1.83 0.00 0.00 4.92 -0.00 -1.26 0.89 118.16 124.54 2avg n LYS 94 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 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 -4.77 -5.58 2.03 -1.26 -5.06 116.55 101.91 2avg n ASP 95 Ca 0.00 -0.80 -0.38 0.00 0.52 0.00 0.00 54.79 54.14 2avg n ASP 95 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 4.16 -0.06 -0.67 -0.14 0.26 -1.28 119.74 122.00 2avg s LYS 96 Ca 0.00 0.35 0.02 0.00 -1.36 0.00 0.00 55.97 54.98 2avg s LYS 96 Cb 0.00 -3.35 0.02 0.00 -1.68 0.00 0.00 37.83 32.81 2avg s LYS 96 CO 0.00 0.38 -0.10 0.12 -0.76 0.00 0.00 175.35 174.99 2avg s PHE 97 N -0.06 1.25 -0.07 3.18 5.36 -1.26 -2.17 117.98 124.20 2avg s PHE 97 Ca 0.23 -0.44 -0.09 0.00 -0.96 0.00 0.00 56.93 55.67 2avg s PHE 97 Cb -0.15 -0.95 0.02 0.00 -0.34 0.00 0.00 43.02 41.60 2avg s PHE 97 CO 0.10 -0.25 0.24 -0.51 -1.46 0.00 0.00 175.22 173.34 2avg s ASP 98 N 0.73 -0.22 -0.01 6.13 1.01 -1.18 -4.99 116.67 118.13 2avg s ASP 98 Ca -0.14 0.38 -0.07 0.00 0.71 0.00 0.00 52.55 53.43 2avg s ASP 98 Cb -0.15 0.46 0.00 0.00 1.01 0.00 0.00 42.92 44.24 2avg s ASP 98 CO 0.03 -0.16 0.15 0.00 0.21 0.00 0.00 175.17 175.40 2avg s SER 100 N -1.14 2.00 -0.20 0.00 1.04 0.11 -4.96 113.70 110.55 2avg s SER 100 Ca -0.12 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 2avg s SER 100 Cb -0.06 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.00 2avg s SER 100 CO 0.01 0.02 -0.04 0.54 0.98 0.00 0.00 173.24 174.76 2avg s ASN 101 N -1.53 3.22 -0.04 7.02 6.03 -1.26 -1.98 114.94 126.40 2avg s ASN 101 Ca 0.02 -0.88 -0.01 0.00 -1.03 0.00 0.00 52.86 50.96 2avg s ASN 101 Cb -0.09 -0.95 0.03 0.00 -3.03 0.00 0.00 41.25 37.20 2avg s ASN 101 CO 0.02 -0.22 0.08 0.72 -2.03 0.00 0.00 177.10 175.67 2avg s PHE 102 N 1.59 -0.06 -0.10 1.54 -0.71 -1.14 -4.85 117.98 114.24 2avg s PHE 102 Ca -0.02 0.28 -0.03 0.00 -1.04 0.00 0.00 56.93 56.12 2avg s PHE 102 Cb -0.17 -0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 2avg s PHE 102 CO -0.07 -0.11 0.03 0.54 -1.34 0.00 0.00 175.22 174.26 2avg s ASN 103 N 0.97 5.43 -0.45 1.98 2.20 -1.24 -2.18 114.94 121.65 2avg s ASN 103 Ca -0.08 0.18 -0.12 0.00 -0.94 0.00 0.00 52.86 51.90 2avg s ASN 103 Cb -0.11 -1.63 0.09 0.00 -2.00 0.00 0.00 41.25 37.60 2avg s ASN 103 CO -0.04 0.35 0.33 -0.22 -2.94 0.00 0.00 177.10 174.58 2avg s LEU 104 N -0.72 5.44 -0.81 3.54 2.96 -0.58 -0.42 118.68 128.10 2avg s LEU 104 Ca 0.12 -1.53 -0.22 0.00 -0.22 0.00 0.00 54.13 52.28 2avg s LEU 104 Cb -0.12 -2.07 0.08 0.00 0.50 0.00 0.00 46.19 44.59 2avg s LEU 104 CO 0.02 -0.62 1.13 -0.89 -1.32 0.00 0.00 176.35 174.68 2avg s THR 105 N 1.49 4.31 -0.42 3.68 2.01 1.00 0.15 115.64 127.86 2avg s THR 105 Ca 0.04 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 2avg s THR 105 Cb -0.24 -4.80 0.02 0.00 0.01 0.00 0.00 72.50 67.49 2avg s THR 105 CO 0.03 -1.60 1.00 0.54 -0.69 0.00 0.00 174.62 173.90 2avg s VAL 106 N 4.00 4.43 -0.71 3.82 0.11 -1.24 -1.24 120.40 129.58 2avg s VAL 106 Ca 0.31 1.14 -0.24 0.00 -2.93 0.00 0.00 61.98 60.26 2avg s VAL 106 Cb -0.09 -4.45 0.06 0.00 -1.53 0.00 0.00 36.38 30.37 2avg s VAL 106 CO 0.02 -0.75 1.07 -1.00 -3.33 0.00 0.00 175.10 171.11 2avg s HIS 107 N 3.86 2.59 0.00 1.54 3.76 0.35 -4.79 115.29 122.59 2avg s HIS 107 Ca 0.41 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 2avg s HIS 107 Cb -0.10 -4.40 0.00 0.00 1.11 0.00 0.00 32.58 29.19 2avg s HIS 107 CO 0.24 -1.77 0.11 -1.91 -0.85 0.00 0.00 174.74 170.57 2avg n GLU 108 N 8.13 0.00 -0.08 1.40 2.13 -1.26 -1.11 120.64 129.85 2avg n GLU 108 Ca 0.01 0.36 0.02 0.00 0.66 0.00 0.00 57.16 58.20 2avg n GLU 108 Cb 0.47 -0.92 0.02 0.00 0.27 0.00 0.00 31.44 31.28 2avg n GLU 108 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2avg n ALA 109 N -1.58 1.75 -1.61 4.31 0.00 -1.26 -4.81 120.51 117.31 2avg n ALA 109 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2avg n ALA 109 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38