#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 3.24 -0.76 -1.12 1.01 -1.26 -4.87 116.67 112.90 2avg s ASP 2 Ca 0.00 1.29 -0.19 0.00 0.71 0.00 0.00 52.55 54.36 2avg s ASP 2 Cb 0.00 -1.96 -0.14 0.00 1.01 0.00 0.00 42.92 41.82 2avg s ASP 2 CO 0.00 -2.76 1.93 -0.81 0.21 0.00 0.00 175.17 173.74 2avg n PRO 3 N -3.94 1.54 -0.09 8.23 -0.04 -1.26 -4.31 135.00 135.13 2avg n PRO 3 Ca 0.06 -1.73 -0.14 0.00 -0.04 0.00 0.00 63.50 61.66 2avg n PRO 3 Cb 0.57 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 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 5.69 1.48 -1.62 0.52 -0.00 -1.26 -5.02 119.36 119.15 2avg n ILE 4 Ca 0.48 0.07 0.00 0.00 -0.00 0.00 0.00 62.75 63.30 2avg n ILE 4 Cb 0.35 -2.22 0.00 0.00 -0.00 0.00 0.00 39.64 37.77 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 1.51 0.51 0.27 7.39 0.00 -1.26 -4.93 105.19 108.67 2avg n GLY 5 Ca -0.21 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 0.20 -7.90 0.99 5.85 -1.91 -2.50 115.31 110.05 2avg h LEU 6 Ca 0.00 0.11 -0.67 0.00 0.84 0.00 0.00 57.88 58.16 2avg h LEU 6 Cb 0.79 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 2avg h LEU 6 CO 0.00 0.07 1.76 -0.36 -0.34 0.00 0.00 178.44 179.57 2avg s PHE 7 N -6.04 2.88 0.41 1.25 0.40 -1.26 -0.95 117.98 114.68 2avg s PHE 7 Ca -0.13 -1.51 0.20 0.00 -0.60 0.00 0.00 56.93 54.89 2avg s PHE 7 Cb 0.20 -4.62 1.15 0.00 0.51 0.00 0.00 43.02 40.26 2avg s PHE 7 CO 0.76 -1.74 1.99 0.28 0.70 0.00 0.00 175.22 177.22 2avg h VAL 8 N 5.72 0.90 -1.82 -0.44 2.07 -0.80 -3.44 116.25 118.43 2avg h VAL 8 Ca 0.34 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2avg h VAL 8 Cb 0.92 1.41 -0.21 0.00 -1.52 0.00 0.00 31.29 31.89 2avg h VAL 8 CO 1.38 0.19 0.33 -0.32 0.02 0.00 0.00 177.57 179.16 2avg s MET 9 N -4.35 0.85 0.02 1.57 -2.45 -1.13 -4.96 119.30 108.86 2avg s MET 9 Ca -0.03 0.29 0.06 0.00 -1.25 0.00 0.00 55.69 54.76 2avg s MET 9 Cb 0.14 0.40 -0.03 0.00 1.25 0.00 0.00 34.83 36.59 2avg s MET 9 CO 0.65 -0.25 -0.16 -0.98 1.05 0.00 0.00 175.02 175.33 2avg s ARG 10 N -0.98 2.20 0.89 4.11 1.70 -1.26 -2.84 118.95 122.77 2avg s ARG 10 Ca -0.06 -0.91 -0.12 0.00 -0.47 0.00 0.00 55.73 54.17 2avg s ARG 10 Cb -0.01 -2.25 0.13 0.00 -0.57 0.00 0.00 34.95 32.25 2avg s ARG 10 CO 0.06 0.56 1.16 -1.25 -1.08 0.00 0.00 175.30 174.74 2avg s PRO 11 N -1.30 1.30 0.24 3.89 0.05 -1.20 -4.96 135.00 133.02 2avg s PRO 11 Ca 0.14 0.21 0.03 0.00 0.05 0.00 0.00 61.00 61.43 2avg s PRO 11 Cb -0.11 -1.86 -0.05 0.00 0.05 0.00 0.00 34.50 32.53 2avg s PRO 11 CO 0.05 -2.07 0.01 -0.65 0.05 0.00 0.00 177.00 174.38 2avg s GLN 12 N -5.39 1.37 0.00 4.56 -1.52 -1.26 -4.79 119.66 112.63 2avg s GLN 12 Ca 0.64 -1.70 0.00 0.00 -1.95 0.00 0.00 55.36 52.35 2avg s GLN 12 Cb -0.13 -0.62 0.00 0.00 -0.22 0.00 0.00 33.01 32.03 2avg s GLN 12 CO 0.52 -0.11 0.00 -0.25 -0.25 0.00 0.00 175.29 175.20 2avg n ASP 13 N -0.45 0.00 0.00 5.90 9.92 -1.26 -4.75 116.55 125.92 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 0.64 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 1.37 4.51 3.19 0.44 0.00 -0.91 -4.84 105.19 108.94 2avg n GLY 14 Ca 0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.14 3.00 0.13 1.61 2.02 -1.26 0.86 118.70 121.91 2avg s GLU 15 Ca 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 2avg s GLU 15 Cb 0.00 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 2avg s GLU 15 CO 0.00 -0.28 0.04 0.14 0.02 0.00 0.00 175.26 175.18 2avg s VAL 16 N 1.34 0.19 0.37 2.63 -7.23 0.05 -4.92 120.40 112.83 2avg s VAL 16 Ca 0.03 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2avg s VAL 16 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2avg s VAL 16 CO -0.08 -0.51 0.64 -0.89 -0.31 0.00 0.00 175.10 173.95 2avg s THR 17 N -3.98 4.99 -0.42 5.32 2.01 -1.26 0.95 115.64 123.24 2avg s THR 17 Ca 0.23 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 2avg s THR 17 Cb 0.07 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2avg s THR 17 CO 0.01 -0.55 1.81 -0.69 -0.69 0.00 0.00 174.62 174.52 2avg s VAL 18 N -2.35 3.45 0.00 3.82 1.01 -0.75 -2.13 120.40 123.45 2avg s VAL 18 Ca 0.45 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2avg s VAL 18 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2avg s VAL 18 CO 0.36 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.50 2avg n GLY 19 N 5.50 1.07 0.00 4.51 0.00 -1.21 -4.98 105.19 110.07 2avg n GLY 19 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.54 3.47 -0.02 0.00 -0.90 -4.64 105.19 103.63 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 -0.08 -0.00 1.61 1.04 -1.26 0.89 113.70 114.89 2avg s SER 21 Ca 0.00 -0.81 -0.14 0.00 0.48 0.00 0.00 55.95 55.47 2avg s SER 21 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.67 2avg s SER 21 CO 0.00 -1.02 0.30 -0.51 0.98 0.00 0.00 173.24 172.99 2avg s ILE 22 N -3.97 0.06 -0.03 -1.02 1.10 0.19 -4.83 121.20 112.70 2avg s ILE 22 Ca 0.18 -0.52 0.00 0.00 -0.51 0.00 0.00 60.65 59.80 2avg s ILE 22 Cb 0.01 -0.66 0.03 0.00 0.15 0.00 0.00 42.46 41.99 2avg s ILE 22 CO 0.03 -0.28 0.01 -0.89 -2.11 0.00 0.00 174.94 171.69 2avg s THR 23 N -1.52 0.13 0.14 4.00 2.01 -1.26 -1.70 115.64 117.44 2avg s THR 23 Ca -0.12 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.06 2avg s THR 23 Cb -0.05 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2avg s THR 23 CO 0.03 0.14 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.59 2avg s PHE 24 N 1.07 1.53 -0.03 4.92 0.08 -0.71 -4.94 117.98 119.90 2avg s PHE 24 Ca -0.09 -0.54 -0.01 0.00 0.12 0.00 0.00 56.93 56.41 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 -0.02 0.21 0.06 -1.12 -0.10 0.00 0.00 175.22 174.24 2avg s SER 25 N -2.61 0.01 -0.16 1.36 0.01 -1.26 0.33 113.70 111.38 2avg s SER 25 Ca 0.12 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 2avg s SER 25 Cb -0.04 0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.24 2avg s SER 25 CO 0.04 -0.11 -0.05 0.00 0.41 0.00 0.00 173.24 173.53 2avg s ALA 26 N 0.91 1.45 -0.23 1.44 0.00 0.24 -3.22 121.76 122.36 2avg s ALA 26 Ca -0.07 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 2avg s ALA 26 Cb -0.10 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 2avg s ALA 26 CO -0.03 -0.78 0.14 1.03 0.00 0.00 0.00 175.76 176.12 2avg s ARG 27 N 1.64 4.07 -0.07 0.00 0.52 -1.13 0.56 118.95 124.54 2avg s ARG 27 Ca 0.01 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.97 2avg s ARG 27 Cb -0.15 -3.48 0.01 0.00 0.52 0.00 0.00 34.95 31.86 2avg s ARG 27 CO -0.08 0.12 -0.13 0.08 0.02 0.00 0.00 175.30 175.31 2avg s VAL 28 N 0.87 1.22 -0.34 3.52 1.01 -0.09 -1.57 120.40 125.02 2avg s VAL 28 Ca 0.07 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 2avg s VAL 28 Cb -0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2avg s VAL 28 CO 0.03 0.38 1.94 0.00 0.00 0.00 0.00 175.10 177.45 2avg s ALA 29 N 0.69 2.68 0.19 5.51 0.00 -0.13 0.39 121.76 131.09 2avg s ALA 29 Ca -0.14 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 2avg s ALA 29 Cb -0.16 -4.08 0.17 0.00 0.00 0.00 0.00 23.12 19.06 2avg s ALA 29 CO 0.04 -2.92 1.63 0.78 0.00 0.00 0.00 175.76 175.29 2avg h GLY 30 N 14.68 0.29 0.00 0.00 0.00 -1.21 -3.44 103.07 113.39 2avg h GLY 30 Ca -0.34 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2avg h GLY 30 CO 1.04 -0.22 0.00 0.00 0.00 0.00 0.00 176.54 177.36 2avg n ALA 31 N -2.99 0.00 -2.00 3.60 0.00 -1.26 -4.19 120.51 113.67 2avg n ALA 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2avg n ALA 31 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2avg n ALA 31 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2avg n SER 32 N 8.12 0.00 -1.25 0.00 3.41 -1.26 -5.12 113.62 117.52 2avg n SER 32 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2avg n SER 32 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2avg n SER 32 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2avg n LEU 33 N 0.00 -1.08 0.04 1.04 7.94 -1.26 -4.24 117.00 119.45 2avg n LEU 33 Ca 0.00 2.18 0.21 0.00 -1.11 0.00 0.00 56.01 57.29 2avg n LEU 33 Cb 0.00 -2.52 0.74 0.00 0.53 0.00 0.00 43.42 42.16 2avg n LEU 33 CO 0.00 -1.38 1.19 0.25 -1.11 0.00 0.00 177.39 176.34 2avg h LEU 34 N -0.70 0.00 -8.80 -1.96 5.85 -1.98 -3.42 115.31 104.30 2avg h LEU 34 Ca -0.11 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.21 2avg h LEU 34 Cb 1.03 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.93 2avg h LEU 34 CO 0.04 0.00 -0.49 -1.59 -0.34 0.00 0.00 178.44 176.06 2avg s LYS 35 N -4.76 1.65 0.70 1.25 0.00 -1.26 -5.15 119.74 112.17 2avg s LYS 35 Ca -0.05 -1.91 -0.15 0.00 0.00 0.00 0.00 55.97 53.87 2avg s LYS 35 Cb 0.17 0.33 0.02 0.00 0.00 0.00 0.00 37.83 38.35 2avg s LYS 35 CO 0.62 -0.61 1.17 -2.14 0.00 0.00 0.00 175.35 174.39 2avg s PRO 36 N -3.57 2.40 0.52 1.78 0.02 -1.26 -4.81 135.00 130.09 2avg s PRO 36 Ca 0.39 1.62 -0.21 0.00 0.02 0.00 0.00 61.00 62.82 2avg s PRO 36 Cb 0.03 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 2avg s PRO 36 CO 0.24 -1.61 1.05 -2.30 -0.33 0.00 0.00 177.00 174.05 2avg n PRO 37 N -2.58 1.23 -3.37 5.54 -0.02 -1.26 -4.93 135.00 129.61 2avg n PRO 37 Ca 0.12 0.46 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 2avg n PRO 37 Cb 0.51 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.39 5.23 -0.30 -1.45 1.01 -0.64 -4.93 120.40 117.92 2avg s VAL 38 Ca 0.70 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2avg s VAL 38 Cb -0.46 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2avg s VAL 38 CO 0.51 -0.65 0.11 -0.69 0.00 0.00 0.00 175.10 174.38 2avg s VAL 39 N 1.63 4.22 -0.14 2.92 1.01 -1.26 0.44 120.40 129.21 2avg s VAL 39 Ca 0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2avg s VAL 39 Cb -0.26 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2avg s VAL 39 CO 0.06 0.08 -0.04 -1.59 0.00 0.00 0.00 175.10 173.61 2avg s LYS 40 N 1.55 3.55 0.32 2.72 0.00 -0.77 -4.96 119.74 122.15 2avg s LYS 40 Ca 0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 55.97 55.46 2avg s LYS 40 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 37.83 34.74 2avg s LYS 40 CO 0.04 0.31 0.57 -1.58 0.00 0.00 0.00 175.35 174.69 2avg s TRP 41 N 0.17 3.49 -0.05 1.78 0.52 -1.26 -0.89 118.94 122.71 2avg s TRP 41 Ca -0.02 0.56 0.03 0.00 0.02 0.00 0.00 56.10 56.70 2avg s TRP 41 Cb -0.14 -2.06 0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2avg s TRP 41 CO 0.03 0.11 -0.12 0.12 0.02 0.00 0.00 176.95 177.11 2avg s PHE 42 N -2.22 1.34 -0.36 -1.98 2.19 -0.49 -3.70 117.98 112.76 2avg s PHE 42 Ca 0.43 -0.42 -0.06 0.00 0.33 0.00 0.00 56.93 57.21 2avg s PHE 42 Cb -0.10 -0.96 0.06 0.00 -1.31 0.00 0.00 43.02 40.71 2avg s PHE 42 CO 0.33 -0.19 0.15 0.21 1.83 0.00 0.00 175.22 177.55 2avg s LYS 43 N 0.37 2.53 -0.93 10.12 2.20 0.24 -0.91 119.74 133.35 2avg s LYS 43 Ca -0.08 -1.33 -0.22 0.00 -0.36 0.00 0.00 55.97 53.97 2avg s LYS 43 Cb -0.12 -3.53 0.07 0.00 -1.51 0.00 0.00 37.83 32.73 2avg s LYS 43 CO 0.02 -0.78 1.30 0.20 -0.36 0.00 0.00 175.35 175.73 2avg s GLY 44 N 1.62 1.42 -0.06 5.54 0.00 -0.64 -1.40 107.32 113.80 2avg s GLY 44 Ca 0.00 -2.27 0.11 0.00 0.00 0.00 0.00 44.72 42.56 2avg s GLY 44 CO 0.01 2.44 0.16 1.17 0.00 0.00 0.00 173.10 176.89 2avg n LYS 45 N 8.19 1.22 0.00 2.90 4.81 -1.26 -2.99 118.16 131.03 2avg n LYS 45 Ca 0.24 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2avg n LYS 45 Cb 0.50 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.26 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 2avg n TRP 46 N -2.16 0.00 -2.54 5.64 4.27 -1.18 -5.01 117.44 116.46 2avg n TRP 46 Ca -0.10 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.28 2avg n TRP 46 Cb 0.58 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.61 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 2.33 0.18 -1.67 -7.23 -0.49 -4.90 120.40 108.62 2avg s VAL 47 Ca 0.00 -0.57 0.07 0.00 -1.81 0.00 0.00 61.98 59.67 2avg s VAL 47 Cb 0.00 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2avg s VAL 47 CO 0.00 0.00 0.04 -0.62 -0.31 0.00 0.00 175.10 174.21 2avg s ASP 48 N -4.61 4.97 -0.10 4.85 -1.08 -1.26 0.79 116.67 120.23 2avg s ASP 48 Ca 0.63 -0.33 -0.05 0.00 -0.52 0.00 0.00 52.55 52.28 2avg s ASP 48 Cb -0.08 -1.13 -0.26 0.00 -1.46 0.00 0.00 42.92 39.99 2avg s ASP 48 CO 0.42 0.08 0.44 -0.07 0.52 0.00 0.00 175.17 176.56 2avg h LEU 49 N 2.57 0.38 -2.87 -1.34 4.07 -1.87 -3.38 115.31 112.88 2avg h LEU 49 Ca -0.47 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 56.66 2avg h LEU 49 Cb 1.20 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2avg h LEU 49 CO 0.59 1.74 0.02 -1.28 -1.08 0.00 0.00 178.44 178.44 2avg h SER 50 N 0.07 0.00 0.48 -0.43 0.87 -1.97 0.73 113.55 113.29 2avg h SER 50 Ca -0.40 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.86 2avg h SER 50 Cb 2.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.97 2avg h SER 50 CO 0.10 0.00 -1.63 0.77 -0.53 0.00 0.00 176.83 175.53 2avg h SER 51 N 0.00 0.17 0.00 6.23 4.64 -1.97 -3.42 113.55 119.19 2avg h SER 51 Ca 0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2avg h SER 51 Cb 0.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2avg h SER 51 CO 0.00 1.26 0.00 0.29 -0.87 0.00 0.00 176.83 177.51 2avg n LYS 52 N -3.25 0.00 -0.22 4.77 4.76 0.23 -5.01 118.16 119.44 2avg n LYS 52 Ca -0.17 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2avg n LYS 52 Cb 1.04 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 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 -2.30 0.00 0.00 -0.18 0.31 0.25 -4.86 118.33 111.55 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 0.34 3.41 0.09 2.92 0.00 0.41 -4.83 105.19 107.53 2avg n GLY 54 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 0.10 0.06 1.61 4.20 -1.95 -3.20 115.11 115.92 2avg h GLN 55 Ca 0.00 -0.17 -0.36 0.00 0.06 0.00 0.00 58.65 58.18 2avg h GLN 55 Cb 0.00 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2avg h GLN 55 CO 0.00 0.86 -2.09 -2.39 -0.67 0.00 0.00 178.83 174.54 2avg n HIS 56 N -3.28 0.78 -4.01 2.96 1.44 -1.26 -4.72 115.22 107.13 2avg n HIS 56 Ca -0.14 0.20 -0.32 0.00 -2.01 0.00 0.00 57.72 55.44 2avg n HIS 56 Cb 1.02 -1.11 -0.15 0.00 0.12 0.00 0.00 29.99 29.87 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 -6.54 4.15 -0.34 2.39 0.20 -1.23 0.47 118.68 117.78 2avg s LEU 57 Ca -0.20 -1.74 -0.14 0.00 0.69 0.00 0.00 54.13 52.75 2avg s LEU 57 Cb 0.07 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.20 2avg s LEU 57 CO 0.75 -0.30 0.29 -1.10 -0.29 0.00 0.00 176.35 175.70 2avg s GLN 58 N 1.04 3.54 -0.79 1.98 1.11 0.12 0.15 119.66 126.83 2avg s GLN 58 Ca 0.01 -0.53 -0.15 0.00 0.01 0.00 0.00 55.36 54.69 2avg s GLN 58 Cb -0.20 -3.80 0.19 0.00 -1.01 0.00 0.00 33.01 28.19 2avg s GLN 58 CO -0.06 -0.47 0.77 -1.17 0.01 0.00 0.00 175.29 174.37 2avg s LEU 59 N 1.85 6.41 0.29 2.90 0.20 -1.26 0.50 118.68 129.58 2avg s LEU 59 Ca 0.09 -2.42 0.05 0.00 0.69 0.00 0.00 54.13 52.54 2avg s LEU 59 Cb -0.17 -2.24 -0.02 0.00 -0.43 0.00 0.00 46.19 43.33 2avg s LEU 59 CO 0.11 -0.70 0.42 -2.28 -0.29 0.00 0.00 176.35 173.61 2avg s HIS 60 N 0.79 3.30 -0.08 5.38 2.46 0.98 -4.87 115.29 123.25 2avg s HIS 60 Ca 0.17 -0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.61 2avg s HIS 60 Cb -0.13 -1.79 0.02 0.00 -0.13 0.00 0.00 32.58 30.55 2avg s HIS 60 CO -0.06 0.21 -0.07 0.16 -2.47 0.00 0.00 174.74 172.51 2avg s ASP 61 N -4.07 1.72 0.15 9.88 1.47 -1.25 0.10 116.67 124.67 2avg s ASP 61 Ca 0.39 -0.22 -0.08 0.00 1.18 0.00 0.00 52.55 53.82 2avg s ASP 61 Cb -0.09 -0.68 -0.06 0.00 -0.34 0.00 0.00 42.92 41.74 2avg s ASP 61 CO 0.30 -0.09 0.44 -0.44 0.68 0.00 0.00 175.17 176.07 2avg s SER 62 N 1.36 6.58 -0.31 2.11 0.01 0.34 -4.91 113.70 118.88 2avg s SER 62 Ca -0.03 0.76 -0.03 0.00 1.31 0.00 0.00 55.95 57.96 2avg s SER 62 Cb -0.14 -2.16 0.11 0.00 0.21 0.00 0.00 66.02 64.04 2avg s SER 62 CO -0.03 0.05 0.14 -0.47 0.41 0.00 0.00 173.24 173.34 2avg s TYR 63 N -1.63 0.69 -0.40 2.43 5.04 -1.26 -0.81 117.35 121.42 2avg s TYR 63 Ca 0.41 -1.21 -0.02 0.00 -2.44 0.00 0.00 57.07 53.81 2avg s TYR 63 Cb -0.12 -1.09 0.11 0.00 0.35 0.00 0.00 41.96 41.21 2avg s TYR 63 CO 0.22 -0.84 0.18 -0.51 -1.34 0.00 0.00 175.55 173.26 2avg s ASP 64 N 1.79 5.19 0.06 4.32 1.11 0.09 -4.93 116.67 124.30 2avg s ASP 64 Ca 0.11 -2.02 -0.10 0.00 0.18 0.00 0.00 52.55 50.72 2avg s ASP 64 Cb -0.18 -1.80 -0.30 0.00 1.07 0.00 0.00 42.92 41.71 2avg s ASP 64 CO -0.28 -0.52 1.09 -0.09 1.18 0.00 0.00 175.17 176.56 2avg h ARG 65 N 8.00 0.42 0.00 8.23 1.12 -1.94 0.57 114.38 130.78 2avg h ARG 65 Ca -0.12 -0.68 -0.03 0.00 -1.11 0.00 0.00 59.98 58.04 2avg h ARG 65 Cb 1.04 0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 31.25 2avg h ARG 65 CO 0.67 1.32 -0.14 0.00 -3.11 0.00 0.00 179.97 178.71 2avg h ALA 66 N 0.39 0.99 -0.00 2.80 0.00 -1.95 -2.09 119.26 119.40 2avg h ALA 66 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2avg h ALA 66 Cb 2.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2avg h ALA 66 CO 0.24 0.17 -0.90 0.43 0.00 0.00 0.00 179.25 179.19 2avg n SER 67 N -3.25 0.95 -1.53 0.00 7.64 -1.22 -4.98 113.62 111.23 2avg n SER 67 Ca 0.01 -0.97 -0.13 0.00 1.01 0.00 0.00 58.87 58.78 2avg n SER 67 Cb 0.42 0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 64.60 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 -1.41 -1.07 -4.08 1.43 4.81 0.12 -4.96 118.16 112.99 2avg n LYS 68 Ca 0.04 0.66 -0.27 0.00 -0.87 0.00 0.00 58.31 57.86 2avg n LYS 68 Cb 0.31 -4.91 -0.17 0.00 0.02 0.00 0.00 35.03 30.28 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 -2.67 1.20 -0.44 3.15 1.01 0.16 -0.63 120.40 122.17 2avg s VAL 69 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 2avg s VAL 69 Cb 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.27 2avg s VAL 69 CO 0.00 0.39 0.35 -0.31 0.00 0.00 0.00 175.10 175.53 2avg s TYR 70 N 1.45 3.25 -0.51 5.22 2.02 0.16 -0.73 117.35 128.20 2avg s TYR 70 Ca 0.01 -0.84 -0.19 0.00 -0.37 0.00 0.00 57.07 55.68 2avg s TYR 70 Cb -0.13 -2.93 0.07 0.00 -0.40 0.00 0.00 41.96 38.56 2avg s TYR 70 CO -0.06 -0.72 0.60 -1.17 -1.57 0.00 0.00 175.55 172.62 2avg s LEU 71 N 1.64 5.12 -0.37 -1.29 2.96 0.01 -0.92 118.68 125.83 2avg s LEU 71 Ca 0.04 -1.04 -0.25 0.00 -0.22 0.00 0.00 54.13 52.66 2avg s LEU 71 Cb -0.22 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.09 2avg s LEU 71 CO 0.08 -0.88 0.87 -0.36 -1.32 0.00 0.00 176.35 174.74 2avg s PHE 72 N 2.49 3.08 -0.21 5.38 0.08 0.19 0.13 117.98 129.11 2avg s PHE 72 Ca 0.13 0.66 -0.06 0.00 0.12 0.00 0.00 56.93 57.78 2avg s PHE 72 Cb -0.21 -3.59 -0.03 0.00 -0.57 0.00 0.00 43.02 38.63 2avg s PHE 72 CO 0.10 -0.82 0.03 -1.21 -0.10 0.00 0.00 175.22 173.23 2avg s GLU 73 N 3.36 3.70 -0.29 0.44 2.02 0.29 0.82 118.70 129.04 2avg s GLU 73 Ca 0.36 -0.47 -0.20 0.00 0.02 0.00 0.00 54.97 54.68 2avg s GLU 73 Cb -0.12 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 2avg s GLU 73 CO 0.19 0.01 0.60 -0.51 0.02 0.00 0.00 175.26 175.57 2avg s LEU 74 N 1.05 4.12 -0.55 1.80 2.01 0.15 -0.01 118.68 127.26 2avg s LEU 74 Ca 0.03 0.47 -0.03 0.00 0.01 0.00 0.00 54.13 54.61 2avg s LEU 74 Cb -0.14 -2.79 0.14 0.00 0.01 0.00 0.00 46.19 43.41 2avg s LEU 74 CO 0.02 -0.43 0.36 -1.00 1.01 0.00 0.00 176.35 176.32 2avg s HIS 75 N 2.53 3.48 -0.32 0.29 3.76 0.18 -1.74 115.29 123.47 2avg s HIS 75 Ca 0.24 -2.55 0.02 0.00 -0.15 0.00 0.00 55.06 52.63 2avg s HIS 75 Cb -0.15 -3.24 0.10 0.00 1.11 0.00 0.00 32.58 30.40 2avg s HIS 75 CO 0.11 -0.90 0.05 0.42 -0.85 0.00 0.00 174.74 173.57 2avg s ILE 76 N 0.44 1.85 -0.01 0.60 1.01 -0.69 0.15 121.20 124.56 2avg s ILE 76 Ca 0.13 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.79 2avg s ILE 76 Cb -0.21 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2avg s ILE 76 CO -0.04 -0.56 0.04 0.42 0.00 0.00 0.00 174.94 174.80 2avg s THR 77 N 1.13 4.46 -0.23 2.92 -4.23 0.18 0.53 115.64 120.39 2avg s THR 77 Ca 0.09 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 2avg s THR 77 Cb -0.19 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.65 2avg s THR 77 CO -0.12 0.37 0.28 -0.67 -0.54 0.00 0.00 174.62 173.94 2avg n ASP 78 N 1.32 -4.68 -4.61 3.99 2.03 0.26 -4.55 116.55 110.31 2avg n ASP 78 Ca -0.14 0.18 -0.43 0.00 0.52 0.00 0.00 54.79 54.92 2avg n ASP 78 Cb 0.53 -2.98 -0.02 0.00 -0.72 0.00 0.00 41.12 37.92 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 -2.03 3.16 0.90 -1.67 0.00 -1.26 -4.85 121.76 116.01 2avg s ALA 79 Ca 0.09 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2avg s ALA 79 Cb -0.02 -3.89 0.13 0.00 0.00 0.00 0.00 23.12 19.34 2avg s ALA 79 CO 0.35 -2.21 1.09 1.14 0.00 0.00 0.00 175.76 176.13 2avg s GLN 80 N 4.52 1.23 0.56 0.00 -2.07 -1.26 -3.33 119.66 119.31 2avg s GLN 80 Ca 0.52 0.83 -0.18 0.00 -1.82 0.00 0.00 55.36 54.71 2avg s GLN 80 Cb -0.10 -1.81 -0.05 0.00 -1.09 0.00 0.00 33.01 29.97 2avg s GLN 80 CO 0.30 -2.26 1.08 -2.14 -1.32 0.00 0.00 175.29 170.95 2avg s PRO 81 N -4.93 3.36 0.00 9.60 0.02 -1.26 -2.76 135.00 139.03 2avg s PRO 81 Ca 0.63 1.39 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2avg s PRO 81 Cb -0.18 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2avg s PRO 81 CO 0.57 -0.80 0.00 0.00 -0.33 0.00 0.00 177.00 176.44 2avg n ALA 82 N -1.63 0.00 1.73 -1.55 0.00 -1.26 -4.78 120.51 113.02 2avg n ALA 82 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2avg n ALA 82 Cb 0.52 -0.82 0.66 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.18 0.03 0.00 0.00 7.35 -1.11 -4.60 117.46 116.95 2avg n PHE 83 Ca 0.00 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2avg n PHE 83 Cb 0.17 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.00 2avg n PHE 83 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2avg n THR 84 N -0.41 0.00 -1.25 -2.13 -1.04 -1.21 -4.18 114.28 104.06 2avg n THR 84 Ca 0.19 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.85 2avg n THR 84 Cb 0.21 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.63 2avg n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avg n GLY 85 N 0.00 1.15 3.09 3.41 0.00 0.15 -4.34 105.19 108.65 2avg n GLY 85 Ca 0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 3.92 3.67 -0.02 0.00 -1.16 -0.14 105.19 116.67 2avg n GLY 86 Ca 0.46 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 2.30 3.39 -0.32 1.61 1.51 -0.38 -1.62 117.35 123.85 2avg s TYR 87 Ca 0.46 1.46 -0.03 0.00 -1.01 0.00 0.00 57.07 57.94 2avg s TYR 87 Cb 0.07 -3.20 0.05 0.00 -0.11 0.00 0.00 41.96 38.77 2avg s TYR 87 CO -0.01 -0.38 0.04 1.03 -1.11 0.00 0.00 175.55 175.13 2avg s ARG 88 N 2.73 2.49 -0.47 -0.62 0.52 -0.08 -3.15 118.95 120.37 2avg s ARG 88 Ca 0.44 -1.24 -0.21 0.00 -0.52 0.00 0.00 55.73 54.20 2avg s ARG 88 Cb -0.16 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 32.06 2avg s ARG 88 CO 0.10 -0.64 0.68 0.00 0.02 0.00 0.00 175.30 175.46 2avg s GLU 90 N 2.93 1.85 -0.05 0.00 2.02 -0.06 -0.39 118.70 124.99 2avg s GLU 90 Ca 0.22 -1.66 -0.06 0.00 0.02 0.00 0.00 54.97 53.49 2avg s GLU 90 Cb -0.15 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 2avg s GLU 90 CO 0.17 -0.82 0.19 0.54 0.02 0.00 0.00 175.26 175.36 2avg s VAL 91 N 1.02 5.42 -0.21 2.63 0.11 -0.31 -1.84 120.40 127.23 2avg s VAL 91 Ca 0.03 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2avg s VAL 91 Cb -0.20 -3.49 0.06 0.00 -1.53 0.00 0.00 36.38 31.22 2avg s VAL 91 CO -0.06 0.47 0.03 -0.55 -3.33 0.00 0.00 175.10 171.65 2avg s SER 92 N -1.47 3.12 0.22 3.54 0.15 0.17 -3.01 113.70 116.42 2avg s SER 92 Ca 0.22 -0.93 0.04 0.00 0.70 0.00 0.00 55.95 55.98 2avg s SER 92 Cb -0.13 -0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 63.44 2avg s SER 92 CO 0.12 -0.30 -0.04 -0.89 1.20 0.00 0.00 173.24 173.33 2avg s THR 93 N 1.78 1.17 0.00 6.45 2.01 -0.44 -1.63 115.64 124.98 2avg s THR 93 Ca -0.01 -2.06 0.00 0.00 0.31 0.00 0.00 61.69 59.93 2avg s THR 93 Cb -0.17 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.08 2avg s THR 93 CO -0.09 -0.41 0.00 2.29 -0.69 0.00 0.00 174.62 175.72 2avg n LYS 94 N -0.40 0.00 0.00 4.92 2.85 -1.26 -1.74 118.16 122.54 2avg n LYS 94 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2avg n LYS 94 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 2avg n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2avg n ASP 95 N 0.00 0.00 -4.71 -5.58 2.03 -1.26 -5.01 116.55 102.02 2avg n ASP 95 Ca 0.00 -0.83 -0.38 0.00 0.52 0.00 0.00 54.79 54.10 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 4.30 -0.05 -0.67 -0.14 -0.71 -2.78 119.74 119.70 2avg s LYS 96 Ca 0.00 0.36 0.02 0.00 -1.36 0.00 0.00 55.97 54.99 2avg s LYS 96 Cb 0.00 -3.45 0.02 0.00 -1.68 0.00 0.00 37.83 32.72 2avg s LYS 96 CO 0.00 0.14 -0.07 0.12 -0.76 0.00 0.00 175.35 174.77 2avg s PHE 97 N 0.72 0.98 0.00 3.18 2.19 -1.26 -1.33 117.98 122.46 2avg s PHE 97 Ca 0.23 -0.31 -0.04 0.00 0.33 0.00 0.00 56.93 57.15 2avg s PHE 97 Cb -0.15 -0.78 -0.01 0.00 -1.31 0.00 0.00 43.02 40.78 2avg s PHE 97 CO 0.09 -0.20 0.06 -0.51 1.83 0.00 0.00 175.22 176.49 2avg s ASP 98 N 0.74 0.08 -0.05 6.13 1.01 -1.16 -5.02 116.67 118.40 2avg s ASP 98 Ca -0.12 -0.24 -0.06 0.00 0.71 0.00 0.00 52.55 52.85 2avg s ASP 98 Cb -0.14 0.16 0.01 0.00 1.01 0.00 0.00 42.92 43.96 2avg s ASP 98 CO 0.01 -0.27 0.16 0.00 0.21 0.00 0.00 175.17 175.28 2avg s SER 100 N -0.19 3.56 -0.16 0.00 0.15 0.48 -4.95 113.70 112.58 2avg s SER 100 Ca -0.03 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 2avg s SER 100 Cb -0.02 -0.38 0.05 0.00 -1.71 0.00 0.00 66.02 63.95 2avg s SER 100 CO 0.00 0.19 0.02 0.54 1.20 0.00 0.00 173.24 175.20 2avg s ASN 101 N -1.95 2.58 -0.03 5.45 6.03 -1.26 -1.86 114.94 123.90 2avg s ASN 101 Ca 0.15 -0.63 -0.03 0.00 -1.03 0.00 0.00 52.86 51.32 2avg s ASN 101 Cb -0.10 -0.58 0.01 0.00 -3.03 0.00 0.00 41.25 37.54 2avg s ASN 101 CO 0.07 -0.27 0.08 0.72 -2.03 0.00 0.00 177.10 175.67 2avg s PHE 102 N 1.87 -0.07 -0.08 1.54 -0.12 -1.19 -4.86 117.98 115.08 2avg s PHE 102 Ca 0.01 0.16 0.04 0.00 -0.05 0.00 0.00 56.93 57.09 2avg s PHE 102 Cb -0.16 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.23 2avg s PHE 102 CO -0.07 -0.06 -0.20 0.54 -0.05 0.00 0.00 175.22 175.38 2avg s ASN 103 N -0.09 3.49 -0.43 1.98 6.03 -1.21 -1.24 114.94 123.46 2avg s ASN 103 Ca -0.01 -0.41 -0.18 0.00 -1.03 0.00 0.00 52.86 51.23 2avg s ASN 103 Cb -0.01 -1.08 0.03 0.00 -3.03 0.00 0.00 41.25 37.15 2avg s ASN 103 CO 0.00 0.24 0.50 -0.22 -2.03 0.00 0.00 177.10 175.58 2avg s LEU 104 N -0.10 4.83 -0.77 3.54 2.96 0.80 -2.15 118.68 127.78 2avg s LEU 104 Ca -0.04 -0.65 -0.22 0.00 -0.22 0.00 0.00 54.13 53.00 2avg s LEU 104 Cb -0.14 -2.46 0.08 0.00 0.50 0.00 0.00 46.19 44.17 2avg s LEU 104 CO 0.04 -0.65 1.08 -0.89 -1.32 0.00 0.00 176.35 174.61 2avg s THR 105 N 2.31 4.32 -0.38 3.68 2.01 0.25 0.33 115.64 128.16 2avg s THR 105 Ca 0.14 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 2avg s THR 105 Cb -0.17 -4.77 0.02 0.00 0.01 0.00 0.00 72.50 67.59 2avg s THR 105 CO 0.14 -1.56 0.97 0.54 -0.69 0.00 0.00 174.62 174.03 2avg s VAL 106 N 3.98 4.52 -0.62 3.82 0.11 -1.24 -0.77 120.40 130.19 2avg s VAL 106 Ca 0.28 1.24 -0.21 0.00 -2.93 0.00 0.00 61.98 60.37 2avg s VAL 106 Cb -0.11 -4.39 0.08 0.00 -1.53 0.00 0.00 36.38 30.43 2avg s VAL 106 CO 0.04 -0.61 0.84 -1.00 -3.33 0.00 0.00 175.10 171.04 2avg s HIS 107 N 3.64 2.82 0.00 1.54 3.76 0.27 -4.63 115.29 122.70 2avg s HIS 107 Ca 0.40 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 2avg s HIS 107 Cb -0.11 -4.14 0.00 0.00 1.11 0.00 0.00 32.58 29.44 2avg s HIS 107 CO 0.20 -1.47 0.00 -1.91 -0.85 0.00 0.00 174.74 170.72 2avg n GLU 108 N 7.08 0.00 -0.07 1.40 2.13 -1.26 -1.81 120.64 128.10 2avg n GLU 108 Ca -0.06 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.56 2avg n GLU 108 Cb 0.44 -0.48 -0.12 0.00 0.27 0.00 0.00 31.44 31.55 2avg n GLU 108 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2avg h ALA 109 N -2.00 0.19 0.00 4.31 0.00 -2.01 -3.45 119.26 116.29 2avg h ALA 109 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2avg h ALA 109 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2avg h ALA 109 CO 0.00 0.57 0.00 -0.12 0.00 0.00 0.00 179.25 179.70