#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 3.99 -0.98 -2.24 1.01 -1.26 -4.93 116.67 112.25 2avg s ASP 2 Ca 0.00 0.37 -0.24 0.00 0.71 0.00 0.00 52.55 53.39 2avg s ASP 2 Cb 0.00 -0.70 -0.07 0.00 1.01 0.00 0.00 42.92 43.16 2avg s ASP 2 CO 0.00 -2.17 1.98 -2.84 0.21 0.00 0.00 175.17 172.35 2avg s PRO 3 N -5.59 2.43 0.05 8.23 0.02 -1.26 -4.51 135.00 134.37 2avg s PRO 3 Ca 0.67 -0.50 -0.03 0.00 0.02 0.00 0.00 61.00 61.16 2avg s PRO 3 Cb -0.07 -5.09 -0.01 0.00 0.02 0.00 0.00 34.50 29.34 2avg s PRO 3 CO 0.49 -3.69 -0.06 -0.89 -0.33 0.00 0.00 177.00 172.52 2avg n ILE 4 N 7.95 1.25 -1.46 2.83 -0.00 -1.26 -4.92 119.36 123.75 2avg n ILE 4 Ca 0.42 0.35 0.00 0.00 -0.00 0.00 0.00 62.75 63.52 2avg n ILE 4 Cb 0.47 -1.71 0.00 0.00 -0.00 0.00 0.00 39.64 38.40 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 3.14 0.73 0.24 7.39 0.00 -1.26 -4.91 105.19 110.52 2avg n GLY 5 Ca -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 0.25 -7.75 0.99 5.85 -1.93 -3.24 115.31 109.48 2avg h LEU 6 Ca 0.00 0.08 -0.76 0.00 0.84 0.00 0.00 57.88 58.04 2avg h LEU 6 Cb 0.65 0.05 -0.23 0.00 0.37 0.00 0.00 40.66 41.50 2avg h LEU 6 CO 0.00 0.14 0.62 0.12 -0.34 0.00 0.00 178.44 178.98 2avg s PHE 7 N -6.08 3.75 0.10 1.25 5.36 -1.26 -1.44 117.98 119.66 2avg s PHE 7 Ca -0.13 -2.14 -0.13 0.00 -0.96 0.00 0.00 56.93 53.58 2avg s PHE 7 Cb 0.17 -4.02 -0.13 0.00 -0.34 0.00 0.00 43.02 38.70 2avg s PHE 7 CO 0.75 -1.16 1.34 0.28 -1.46 0.00 0.00 175.22 174.97 2avg h VAL 8 N 4.59 1.28 -2.19 3.12 2.07 -1.35 -3.45 116.25 120.33 2avg h VAL 8 Ca 0.18 -1.84 -0.03 0.00 0.82 0.00 0.00 66.70 65.84 2avg h VAL 8 Cb 0.95 1.85 -0.22 0.00 -1.52 0.00 0.00 31.29 32.35 2avg h VAL 8 CO 1.01 0.59 -0.05 -0.32 0.02 0.00 0.00 177.57 178.81 2avg s MET 9 N -3.91 0.64 -0.11 1.57 -2.45 -0.91 -4.96 119.30 109.18 2avg s MET 9 Ca -0.11 1.06 -0.04 0.00 -1.25 0.00 0.00 55.69 55.34 2avg s MET 9 Cb 0.09 0.15 -0.04 0.00 1.25 0.00 0.00 34.83 36.28 2avg s MET 9 CO 0.89 -0.14 0.07 -0.98 1.05 0.00 0.00 175.02 175.91 2avg s ARG 10 N 1.31 3.25 0.81 4.11 1.70 -1.26 -0.20 118.95 128.67 2avg s ARG 10 Ca -0.08 -0.28 -0.12 0.00 -0.47 0.00 0.00 55.73 54.78 2avg s ARG 10 Cb -0.06 -3.00 0.07 0.00 -0.57 0.00 0.00 34.95 31.40 2avg s ARG 10 CO -0.14 0.70 1.10 -1.25 -1.08 0.00 0.00 175.30 174.64 2avg s PRO 11 N -0.85 2.02 0.38 3.89 0.04 -1.06 -4.94 135.00 134.48 2avg s PRO 11 Ca 0.13 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.78 2avg s PRO 11 Cb -0.12 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2avg s PRO 11 CO 0.03 -1.65 0.03 1.04 0.04 0.00 0.00 177.00 176.49 2avg n GLN 12 N -3.45 0.92 0.00 4.56 1.13 -1.26 -4.62 117.38 114.67 2avg n GLN 12 Ca 0.07 -2.89 0.00 0.00 -1.94 0.00 0.00 57.00 52.23 2avg n GLN 12 Cb 0.57 0.98 0.00 0.00 0.11 0.00 0.00 30.24 31.90 2avg n GLN 12 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2avg n ASP 13 N -1.35 0.00 0.00 1.08 5.75 -1.26 -4.58 116.55 116.20 2avg n ASP 13 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2avg n ASP 13 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 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 1.98 3.71 3.26 6.12 0.00 -0.71 -4.86 105.19 114.69 2avg n GLY 14 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.55 2.66 0.01 1.61 2.02 -1.26 -0.68 118.70 121.51 2avg s GLU 15 Ca 0.00 -1.14 0.04 0.00 0.02 0.00 0.00 54.97 53.89 2avg s GLU 15 Cb 0.00 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 2avg s GLU 15 CO 0.00 -0.61 -0.13 0.14 0.02 0.00 0.00 175.26 174.68 2avg s VAL 16 N 1.39 0.99 0.59 2.63 -7.23 -0.13 -4.94 120.40 113.70 2avg s VAL 16 Ca -0.02 -0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 2avg s VAL 16 Cb -0.19 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2avg s VAL 16 CO 0.02 0.18 1.03 -0.89 -0.31 0.00 0.00 175.10 175.13 2avg s THR 17 N -0.47 4.29 -0.42 5.32 2.01 -1.26 0.90 115.64 126.01 2avg s THR 17 Ca 0.04 0.94 -0.27 0.00 0.31 0.00 0.00 61.69 62.70 2avg s THR 17 Cb -0.06 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2avg s THR 17 CO 0.00 -0.78 1.96 -0.69 -0.69 0.00 0.00 174.62 174.42 2avg s VAL 18 N -2.79 3.32 0.00 3.82 1.01 0.16 -1.48 120.40 124.43 2avg s VAL 18 Ca 0.59 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2avg s VAL 18 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2avg s VAL 18 CO 0.43 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2avg n GLY 19 N 5.63 1.14 0.00 4.51 0.00 -1.26 -4.95 105.19 110.26 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 0.00 0.55 3.39 -0.02 0.00 -0.55 -4.68 105.19 103.87 2avg n GLY 20 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.20 113.70 114.21 2avg s SER 21 Ca 0.00 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.83 2avg s SER 21 Cb 0.00 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2avg s SER 21 CO 0.00 -0.93 -0.06 -0.51 0.98 0.00 0.00 173.24 172.72 2avg s ILE 22 N -3.89 0.42 -0.04 -1.02 1.10 0.18 -4.77 121.20 113.18 2avg s ILE 22 Ca 0.11 -0.71 -0.01 0.00 -0.51 0.00 0.00 60.65 59.53 2avg s ILE 22 Cb 0.02 -0.45 0.03 0.00 0.15 0.00 0.00 42.46 42.21 2avg s ILE 22 CO -0.04 -0.20 0.02 -0.89 -2.11 0.00 0.00 174.94 171.71 2avg s THR 23 N -0.88 0.14 0.02 4.00 2.01 -1.26 -1.48 115.64 118.20 2avg s THR 23 Ca -0.06 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.20 2avg s THR 23 Cb -0.07 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 2avg s THR 23 CO 0.00 0.18 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.53 2avg s PHE 24 N 1.53 1.95 -0.11 4.92 0.08 -1.16 -4.87 117.98 120.32 2avg s PHE 24 Ca -0.03 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 2avg s PHE 24 Cb -0.13 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2avg s PHE 24 CO -0.03 0.06 -0.04 -1.12 -0.10 0.00 0.00 175.22 173.99 2avg s SER 25 N -0.98 2.10 -0.23 1.36 0.01 -1.26 0.56 113.70 115.26 2avg s SER 25 Ca 0.09 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 2avg s SER 25 Cb -0.09 -0.69 0.03 0.00 0.21 0.00 0.00 66.02 65.48 2avg s SER 25 CO 0.01 -0.17 -0.11 0.00 0.41 0.00 0.00 173.24 173.38 2avg s ALA 26 N 1.81 2.58 -0.21 1.44 0.00 0.13 -2.56 121.76 124.93 2avg s ALA 26 Ca 0.04 -1.42 -0.07 0.00 0.00 0.00 0.00 51.96 50.52 2avg s ALA 26 Cb -0.13 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2avg s ALA 26 CO -0.07 -0.71 0.05 1.03 0.00 0.00 0.00 175.76 176.06 2avg s ARG 27 N 1.29 3.73 -0.06 0.00 0.52 0.72 0.08 118.95 125.24 2avg s ARG 27 Ca 0.01 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2avg s ARG 27 Cb -0.16 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2avg s ARG 27 CO -0.07 0.00 -0.11 0.08 0.02 0.00 0.00 175.30 175.22 2avg s VAL 28 N 1.08 1.05 -0.23 3.52 1.01 -0.24 -1.71 120.40 124.89 2avg s VAL 28 Ca 0.03 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 2avg s VAL 28 Cb -0.14 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2avg s VAL 28 CO 0.03 0.33 2.00 0.00 0.00 0.00 0.00 175.10 177.45 2avg s ALA 29 N 0.60 2.92 0.17 5.51 0.00 -0.52 0.20 121.76 130.65 2avg s ALA 29 Ca -0.12 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 2avg s ALA 29 Cb -0.15 -4.01 0.10 0.00 0.00 0.00 0.00 23.12 19.07 2avg s ALA 29 CO 0.03 -2.53 1.61 0.78 0.00 0.00 0.00 175.76 175.65 2avg h GLY 30 N 13.83 -0.04 -1.38 0.00 0.00 -0.38 -3.44 103.07 111.66 2avg h GLY 30 Ca -0.39 0.34 0.17 0.00 0.00 0.00 0.00 47.33 47.45 2avg h GLY 30 CO 0.98 -0.21 -0.22 0.00 0.00 0.00 0.00 176.54 177.09 2avg n ALA 31 N -2.99 -1.60 -3.07 3.60 0.00 -1.26 -4.48 120.51 110.72 2avg n ALA 31 Ca 0.03 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 2avg n ALA 31 Cb 0.32 -0.55 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 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 -5.36 4.39 0.35 0.00 1.04 -1.26 -5.03 113.70 107.83 2avg s SER 32 Ca 0.00 -0.25 -0.15 0.00 0.48 0.00 0.00 55.95 56.03 2avg s SER 32 Cb 0.00 -1.70 0.06 0.00 0.10 0.00 0.00 66.02 64.48 2avg s SER 32 CO 0.00 0.15 0.79 0.00 0.98 0.00 0.00 173.24 175.16 2avg n LEU 33 N 3.67 0.00 -0.11 2.42 -0.00 -1.26 -5.00 117.00 116.71 2avg n LEU 33 Ca -0.18 -2.31 -0.11 0.00 -0.00 0.00 0.00 56.01 53.41 2avg n LEU 33 Cb 0.52 3.52 -0.03 0.00 -0.00 0.00 0.00 43.42 47.44 2avg n LEU 33 CO 0.31 -0.77 0.73 0.25 -0.00 0.00 0.00 177.39 177.92 2avg h LEU 34 N 0.00 0.60 -7.44 1.47 5.85 -1.98 -3.45 115.31 110.35 2avg h LEU 34 Ca -0.31 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 57.94 2avg h LEU 34 Cb 1.18 -0.16 -0.21 0.00 0.37 0.00 0.00 40.66 41.84 2avg h LEU 34 CO 0.40 0.81 -0.24 -1.59 -0.34 0.00 0.00 178.44 177.48 2avg s LYS 35 N -4.84 0.66 0.34 1.25 0.00 -1.26 -5.11 119.74 110.79 2avg s LYS 35 Ca -0.13 -0.03 -0.26 0.00 0.00 0.00 0.00 55.97 55.55 2avg s LYS 35 Cb 0.09 0.30 -0.14 0.00 0.00 0.00 0.00 37.83 38.08 2avg s LYS 35 CO 0.78 -0.17 0.78 -2.30 0.00 0.00 0.00 175.35 174.44 2avg n PRO 36 N 1.52 0.89 -1.59 1.78 -0.02 -1.26 -4.59 135.00 131.72 2avg n PRO 36 Ca -0.20 0.32 -0.50 0.00 -2.02 0.00 0.00 63.50 61.10 2avg n PRO 36 Cb 0.56 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.36 2avg n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2avg n PRO 37 N 0.64 1.27 -3.37 0.52 -0.04 -1.26 -4.90 135.00 127.86 2avg n PRO 37 Ca 0.11 0.45 -0.44 0.00 -0.04 0.00 0.00 63.50 63.58 2avg n PRO 37 Cb 0.34 -2.05 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2avg s VAL 38 N 0.23 5.22 -0.30 0.52 1.01 -0.96 -4.93 120.40 121.19 2avg s VAL 38 Ca 0.79 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2avg s VAL 38 Cb -0.88 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 31.37 2avg s VAL 38 CO 0.48 -0.60 0.09 -0.69 0.00 0.00 0.00 175.10 174.38 2avg s VAL 39 N 1.68 3.97 -0.23 2.92 1.01 -1.26 0.18 120.40 128.67 2avg s VAL 39 Ca 0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2avg s VAL 39 Cb -0.24 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2avg s VAL 39 CO 0.07 0.04 0.12 -1.59 0.00 0.00 0.00 175.10 173.74 2avg s LYS 40 N 1.49 3.98 0.50 2.72 0.00 -0.81 -4.92 119.74 122.70 2avg s LYS 40 Ca 0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 55.97 55.56 2avg s LYS 40 Cb -0.18 -3.43 -0.06 0.00 0.00 0.00 0.00 37.83 34.17 2avg s LYS 40 CO 0.03 0.07 0.89 -1.58 0.00 0.00 0.00 175.35 174.75 2avg s TRP 41 N 0.99 3.52 -0.01 1.78 0.52 -1.26 -1.40 118.94 123.08 2avg s TRP 41 Ca 0.06 1.15 0.02 0.00 0.02 0.00 0.00 56.10 57.35 2avg s TRP 41 Cb -0.14 -2.56 -0.00 0.00 -1.15 0.00 0.00 33.47 29.62 2avg s TRP 41 CO 0.04 -0.34 -0.06 0.12 0.02 0.00 0.00 176.95 176.73 2avg s PHE 42 N -2.70 0.51 0.37 -1.98 5.36 0.46 -4.57 117.98 115.43 2avg s PHE 42 Ca 0.53 -0.10 0.07 0.00 -0.96 0.00 0.00 56.93 56.48 2avg s PHE 42 Cb -0.10 -0.34 -0.00 0.00 -0.34 0.00 0.00 43.02 42.24 2avg s PHE 42 CO 0.40 -0.02 0.49 0.21 -1.46 0.00 0.00 175.22 174.85 2avg s LYS 43 N -0.08 2.96 0.00 10.12 2.20 0.24 0.10 119.74 135.28 2avg s LYS 43 Ca 0.02 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 2avg s LYS 43 Cb -0.03 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2avg s LYS 43 CO -0.00 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 2avg n GLY 44 N -1.70 0.00 0.03 5.54 0.00 -1.19 -3.01 105.19 104.87 2avg n GLY 44 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 0.01 0.00 1.61 5.02 -1.23 -3.54 118.16 120.03 2avg n LYS 45 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2avg n LYS 45 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 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 -1.29 0.00 -3.42 2.13 4.27 -1.26 -4.91 117.44 112.96 2avg n TRP 46 Ca -0.00 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.24 2avg n TRP 46 Cb 0.41 0.03 -0.06 0.00 -1.36 0.00 0.00 31.31 30.33 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 4.92 -0.43 -1.67 1.01 -1.16 -4.95 120.40 118.13 2avg s VAL 47 Ca 0.00 0.91 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 2avg s VAL 47 Cb 0.00 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.72 2avg s VAL 47 CO 0.00 0.49 0.25 1.51 0.00 0.00 0.00 175.10 177.35 2avg s ASP 48 N -1.26 5.47 0.41 3.32 -4.77 -1.26 0.79 116.67 119.37 2avg s ASP 48 Ca 0.28 -1.83 0.14 0.00 -3.30 0.00 0.00 52.55 47.85 2avg s ASP 48 Cb -0.17 -1.92 1.00 0.00 -1.09 0.00 0.00 42.92 40.74 2avg s ASP 48 CO 0.16 -0.58 1.91 -0.07 0.70 0.00 0.00 175.17 177.30 2avg h LEU 49 N 8.26 0.45 -2.48 2.11 4.07 -1.90 -1.50 115.31 124.32 2avg h LEU 49 Ca -0.18 0.03 0.02 0.00 0.08 0.00 0.00 57.88 57.82 2avg h LEU 49 Cb 1.06 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 2avg h LEU 49 CO 0.76 0.23 0.15 0.28 -1.08 0.00 0.00 178.44 178.78 2avg h SER 50 N 0.48 0.00 0.06 -0.43 0.02 -1.94 0.60 113.55 112.34 2avg h SER 50 Ca 0.38 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.96 2avg h SER 50 Cb 0.81 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.28 2avg h SER 50 CO -0.14 0.00 -2.33 -1.20 -1.14 0.00 0.00 176.83 172.03 2avg n SER 51 N -3.28 1.07 -0.01 3.07 7.64 -0.57 -4.63 113.62 116.91 2avg n SER 51 Ca -0.01 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.71 2avg n SER 51 Cb 0.23 0.17 -0.14 0.00 -1.01 0.00 0.00 64.21 63.45 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 -3.05 0.71 -1.32 1.43 4.76 0.91 -4.85 118.16 116.75 2avg n LYS 52 Ca -0.37 0.26 -0.29 0.00 -2.87 0.00 0.00 58.31 55.04 2avg n LYS 52 Cb 1.07 -1.73 -0.16 0.00 -1.84 0.00 0.00 35.03 32.37 2avg n LYS 52 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2avg n VAL 53 N -3.29 0.00 0.00 -0.18 0.31 0.17 -4.54 118.33 110.80 2avg n VAL 53 Ca -0.27 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2avg n VAL 53 Cb 1.05 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 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 5.35 1.97 0.08 2.92 0.00 0.40 -4.88 105.19 111.03 2avg n GLY 54 Ca 0.59 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 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 0.66 -0.06 1.61 1.13 -1.26 -3.60 117.38 115.85 2avg n GLN 55 Ca 0.00 0.08 -0.16 0.00 -1.94 0.00 0.00 57.00 54.98 2avg n GLN 55 Cb 0.00 -1.64 -0.14 0.00 0.11 0.00 0.00 30.24 28.57 2avg n GLN 55 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 2avg n HIS 56 N -2.77 0.56 -4.04 1.08 1.44 -1.26 -4.71 115.22 105.52 2avg n HIS 56 Ca -0.20 0.14 -0.32 0.00 -2.01 0.00 0.00 57.72 55.34 2avg n HIS 56 Cb 0.97 -1.08 -0.15 0.00 0.12 0.00 0.00 29.99 29.85 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 -6.42 4.07 -0.33 2.39 0.20 -1.24 -0.00 118.68 117.35 2avg s LEU 57 Ca -0.21 -1.74 -0.14 0.00 0.69 0.00 0.00 54.13 52.73 2avg s LEU 57 Cb 0.08 -1.60 -0.02 0.00 -0.43 0.00 0.00 46.19 44.22 2avg s LEU 57 CO 0.73 -0.28 0.30 -1.10 -0.29 0.00 0.00 176.35 175.71 2avg s GLN 58 N 1.02 3.58 -0.85 1.98 1.11 0.73 0.15 119.66 127.39 2avg s GLN 58 Ca 0.00 -0.49 -0.18 0.00 0.01 0.00 0.00 55.36 54.70 2avg s GLN 58 Cb -0.20 -3.79 0.14 0.00 -1.01 0.00 0.00 33.01 28.15 2avg s GLN 58 CO -0.06 -0.45 0.99 -1.17 0.01 0.00 0.00 175.29 174.61 2avg s LEU 59 N 1.87 5.37 0.46 2.90 0.20 -1.26 0.28 118.68 128.50 2avg s LEU 59 Ca 0.09 -2.01 -0.01 0.00 0.69 0.00 0.00 54.13 52.90 2avg s LEU 59 Cb -0.17 -2.35 -0.00 0.00 -0.43 0.00 0.00 46.19 43.24 2avg s LEU 59 CO 0.11 -1.01 0.70 -2.28 -0.29 0.00 0.00 176.35 173.58 2avg s HIS 60 N 2.32 3.24 -0.08 5.38 2.46 0.20 -4.88 115.29 123.93 2avg s HIS 60 Ca 0.26 0.30 -0.02 0.00 0.47 0.00 0.00 55.06 56.07 2avg s HIS 60 Cb -0.09 -2.35 0.03 0.00 -0.13 0.00 0.00 32.58 30.04 2avg s HIS 60 CO -0.06 -0.39 0.03 0.16 -2.47 0.00 0.00 174.74 172.01 2avg s ASP 61 N -4.22 1.66 -0.07 9.88 -4.77 -1.25 0.20 116.67 118.10 2avg s ASP 61 Ca 0.49 -0.16 -0.04 0.00 -3.30 0.00 0.00 52.55 49.53 2avg s ASP 61 Cb -0.10 -0.34 -0.04 0.00 -1.09 0.00 0.00 42.92 41.35 2avg s ASP 61 CO 0.39 -0.24 0.13 -0.44 0.70 0.00 0.00 175.17 175.71 2avg s SER 62 N 2.04 6.17 -0.31 2.11 0.01 0.27 -4.94 113.70 119.05 2avg s SER 62 Ca 0.04 0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.63 2avg s SER 62 Cb -0.13 -1.93 0.11 0.00 0.21 0.00 0.00 66.02 64.27 2avg s SER 62 CO -0.05 0.35 0.13 -0.47 0.41 0.00 0.00 173.24 173.61 2avg s TYR 63 N -1.12 0.72 -0.34 2.43 5.04 -1.26 -0.49 117.35 122.32 2avg s TYR 63 Ca 0.19 -1.20 -0.02 0.00 -2.44 0.00 0.00 57.07 53.61 2avg s TYR 63 Cb -0.12 -1.11 0.07 0.00 0.35 0.00 0.00 41.96 41.15 2avg s TYR 63 CO 0.09 -0.84 0.08 -0.51 -1.34 0.00 0.00 175.55 173.04 2avg s ASP 64 N 1.83 5.03 0.23 4.32 1.11 -0.52 -4.94 116.67 123.73 2avg s ASP 64 Ca 0.10 -1.60 0.10 0.00 0.18 0.00 0.00 52.55 51.33 2avg s ASP 64 Cb -0.17 -1.76 0.18 0.00 1.07 0.00 0.00 42.92 42.25 2avg s ASP 64 CO -0.29 -0.37 1.51 -0.09 1.18 0.00 0.00 175.17 177.11 2avg h ARG 65 N 8.00 0.00 -0.41 8.23 1.12 -1.94 0.35 114.38 129.73 2avg h ARG 65 Ca -0.17 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.65 2avg h ARG 65 Cb 1.05 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 2avg h ARG 65 CO 0.59 0.73 0.05 0.00 -3.11 0.00 0.00 179.97 178.24 2avg h ALA 66 N 1.27 1.33 0.00 2.80 0.00 -1.95 -2.07 119.26 120.65 2avg h ALA 66 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2avg h ALA 66 Cb 1.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2avg h ALA 66 CO 0.09 0.47 -1.17 -1.13 0.00 0.00 0.00 179.25 177.51 2avg n SER 67 N -4.29 0.74 -1.88 0.00 3.41 -1.19 -4.97 113.62 105.45 2avg n SER 67 Ca 0.02 -0.69 -0.14 0.00 -0.26 0.00 0.00 58.87 57.80 2avg n SER 67 Cb 0.23 1.13 0.01 0.00 -0.26 0.00 0.00 64.21 65.32 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2avg n LYS 68 N -1.69 -2.57 -4.64 4.33 4.81 0.10 -4.94 118.16 113.57 2avg n LYS 68 Ca 0.02 0.61 -0.27 0.00 -0.87 0.00 0.00 58.31 57.80 2avg n LYS 68 Cb 0.39 -4.81 -0.17 0.00 0.02 0.00 0.00 35.03 30.46 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 -2.87 1.40 -0.33 3.15 1.01 -0.07 0.40 120.40 123.09 2avg s VAL 69 Ca 0.14 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2avg s VAL 69 Cb -0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2avg s VAL 69 CO 0.17 0.42 0.41 -0.31 0.00 0.00 0.00 175.10 175.79 2avg s TYR 70 N 0.74 3.21 -0.53 5.22 2.02 0.13 -1.44 117.35 126.69 2avg s TYR 70 Ca -0.12 0.14 -0.19 0.00 -0.37 0.00 0.00 57.07 56.52 2avg s TYR 70 Cb -0.16 -2.73 0.07 0.00 -0.40 0.00 0.00 41.96 38.74 2avg s TYR 70 CO 0.03 -0.42 0.66 -1.17 -1.57 0.00 0.00 175.55 173.07 2avg s LEU 71 N 2.15 5.04 -0.45 -1.29 2.96 0.35 -1.08 118.68 126.35 2avg s LEU 71 Ca 0.15 -1.02 -0.27 0.00 -0.22 0.00 0.00 54.13 52.76 2avg s LEU 71 Cb -0.16 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.14 2avg s LEU 71 CO 0.12 -0.96 1.01 -0.36 -1.32 0.00 0.00 176.35 174.83 2avg s PHE 72 N 2.69 2.90 -0.18 5.38 0.08 0.11 0.94 117.98 129.90 2avg s PHE 72 Ca 0.15 0.56 -0.01 0.00 0.12 0.00 0.00 56.93 57.74 2avg s PHE 72 Cb -0.20 -4.10 -0.00 0.00 -0.57 0.00 0.00 43.02 38.15 2avg s PHE 72 CO 0.11 -1.13 -0.11 -1.83 -0.10 0.00 0.00 175.22 172.16 2avg s GLU 73 N 3.98 3.27 -0.10 0.44 -1.05 0.13 0.17 118.70 125.54 2avg s GLU 73 Ca 0.41 -0.70 -0.18 0.00 -0.15 0.00 0.00 54.97 54.35 2avg s GLU 73 Cb -0.09 -2.79 -0.04 0.00 -0.44 0.00 0.00 34.13 30.77 2avg s GLU 73 CO 0.27 -0.09 0.49 -0.51 0.95 0.00 0.00 175.26 176.37 2avg s LEU 74 N 1.13 4.30 -0.45 1.83 1.43 0.19 0.62 118.68 127.74 2avg s LEU 74 Ca 0.01 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2avg s LEU 74 Cb -0.14 -2.72 0.12 0.00 0.03 0.00 0.00 46.19 43.47 2avg s LEU 74 CO -0.03 0.03 0.20 -1.00 0.23 0.00 0.00 176.35 175.77 2avg s HIS 75 N 0.45 3.50 -0.33 0.29 3.76 0.14 -2.97 115.29 120.13 2avg s HIS 75 Ca 0.27 -2.93 0.03 0.00 -0.15 0.00 0.00 55.06 52.28 2avg s HIS 75 Cb -0.16 -2.98 0.10 0.00 1.11 0.00 0.00 32.58 30.65 2avg s HIS 75 CO 0.11 -0.87 0.05 0.42 -0.85 0.00 0.00 174.74 173.60 2avg s ILE 76 N 0.42 2.13 0.34 0.60 1.01 -0.55 -0.19 121.20 124.96 2avg s ILE 76 Ca 0.13 -2.22 0.07 0.00 0.00 0.00 0.00 60.65 58.64 2avg s ILE 76 Cb -0.22 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 2avg s ILE 76 CO -0.04 -0.58 0.34 0.42 0.00 0.00 0.00 174.94 175.08 2avg s THR 77 N 0.98 3.68 -0.56 2.92 -4.23 1.00 0.51 115.64 119.94 2avg s THR 77 Ca 0.10 -1.26 -0.21 0.00 -1.18 0.00 0.00 61.69 59.14 2avg s THR 77 Cb -0.19 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.43 2avg s THR 77 CO -0.10 -0.17 0.59 -0.90 -0.54 0.00 0.00 174.62 173.51 2avg n ASP 78 N -1.45 -4.77 -4.65 3.99 5.75 0.13 -4.71 116.55 110.84 2avg n ASP 78 Ca -0.01 -0.48 -0.43 0.00 -0.01 0.00 0.00 54.79 53.86 2avg n ASP 78 Cb 0.59 -1.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.19 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2avg s ALA 79 N -2.01 3.47 0.21 2.12 0.00 -1.26 -4.73 121.76 119.55 2avg s ALA 79 Ca 0.21 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.55 2avg s ALA 79 Cb -0.02 -3.78 -0.15 0.00 0.00 0.00 0.00 23.12 19.17 2avg s ALA 79 CO 0.82 -1.62 1.26 0.94 0.00 0.00 0.00 175.76 177.15 2avg n GLN 80 N 7.32 1.55 0.12 0.00 -0.06 -1.26 -4.16 117.38 120.89 2avg n GLN 80 Ca 0.18 0.55 0.08 0.00 -2.00 0.00 0.00 57.00 55.81 2avg n GLN 80 Cb 0.44 -2.11 0.43 0.00 -4.06 0.00 0.00 30.24 24.94 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 1.78 0.10 -0.56 3.69 -0.04 -1.26 0.13 135.00 138.85 2avg n PRO 81 Ca 0.13 0.60 0.08 0.00 -0.04 0.00 0.00 63.50 64.27 2avg n PRO 81 Cb 0.28 -1.84 0.31 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.70 3.10 0.94 0.55 0.00 -1.26 -3.86 120.51 118.27 2avg n ALA 82 Ca -0.01 -1.37 0.11 0.00 0.00 0.00 0.00 53.44 52.17 2avg n ALA 82 Cb 0.02 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 0.88 0.03 -1.52 0.00 3.72 0.12 -4.71 117.46 115.98 2avg n PHE 83 Ca 0.22 0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 57.27 2avg n PHE 83 Cb 0.81 -0.16 -0.12 0.00 -0.94 0.00 0.00 39.48 39.07 2avg n PHE 83 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2avg n THR 84 N -1.56 -0.02 0.00 4.37 -1.04 -1.25 -3.57 114.28 111.21 2avg n THR 84 Ca 0.04 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2avg n THR 84 Cb 0.35 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 2avg n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avg n GLY 85 N 6.28 1.77 3.26 3.41 0.00 -0.04 -4.20 105.19 115.67 2avg n GLY 85 Ca 0.58 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 2avg n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2avg s GLY 86 N 0.00 -0.42 0.05 -0.02 0.00 -1.23 -0.30 107.32 105.40 2avg s GLY 86 Ca 0.00 1.53 -0.24 0.00 0.00 0.00 0.00 44.72 46.01 2avg s GLY 86 CO 0.00 2.52 0.75 -0.19 0.00 0.00 0.00 173.10 176.18 2avg s TYR 87 N 2.64 3.74 0.20 1.90 1.51 0.21 -3.17 117.35 124.39 2avg s TYR 87 Ca -0.00 1.45 0.11 0.00 -1.01 0.00 0.00 57.07 57.62 2avg s TYR 87 Cb -0.12 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 38.89 2avg s TYR 87 CO -0.14 0.30 -0.21 1.03 -1.11 0.00 0.00 175.55 175.42 2avg s ARG 88 N -0.14 1.64 -0.04 -0.62 0.52 0.29 -1.99 118.95 118.60 2avg s ARG 88 Ca 0.38 -1.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.09 2avg s ARG 88 Cb -0.20 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.39 2avg s ARG 88 CO 0.23 0.40 -0.09 0.00 0.02 0.00 0.00 175.30 175.85 2avg s GLU 90 N 0.53 0.55 -0.16 0.00 2.12 -0.49 -0.54 118.70 120.71 2avg s GLU 90 Ca -0.09 -0.71 -0.09 0.00 0.36 0.00 0.00 54.97 54.43 2avg s GLU 90 Cb -0.13 -1.82 -0.05 0.00 0.26 0.00 0.00 34.13 32.40 2avg s GLU 90 CO 0.02 -0.88 0.15 0.54 -0.54 0.00 0.00 175.26 174.55 2avg s VAL 91 N 1.82 5.44 -0.22 3.70 0.11 -0.82 -1.92 120.40 128.52 2avg s VAL 91 Ca 0.06 0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 2avg s VAL 91 Cb -0.17 -3.45 0.07 0.00 -1.53 0.00 0.00 36.38 31.29 2avg s VAL 91 CO -0.22 0.52 0.04 -0.55 -3.33 0.00 0.00 175.10 171.56 2avg s SER 92 N -0.32 3.17 0.10 3.54 0.15 0.13 -3.15 113.70 117.32 2avg s SER 92 Ca 0.12 -0.97 0.04 0.00 0.70 0.00 0.00 55.95 55.84 2avg s SER 92 Cb -0.12 -0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 2avg s SER 92 CO 0.02 -0.32 -0.11 -0.89 1.20 0.00 0.00 173.24 173.14 2avg s THR 93 N 1.79 1.04 0.00 6.45 2.01 -0.96 -2.26 115.64 123.70 2avg s THR 93 Ca 0.00 -1.66 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2avg s THR 93 Cb -0.17 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.94 2avg s THR 93 CO -0.11 -0.52 0.00 2.29 -0.69 0.00 0.00 174.62 175.59 2avg n LYS 94 N 0.55 0.00 0.00 4.92 -0.00 -1.26 -0.75 118.16 121.62 2avg n LYS 94 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 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 -4.73 -5.58 2.03 -1.26 -5.05 116.55 101.96 2avg n ASP 95 Ca 0.00 -1.00 -0.36 0.00 0.52 0.00 0.00 54.79 53.95 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 4.22 0.05 -0.67 -0.14 0.07 -1.45 119.74 121.82 2avg s LYS 96 Ca 0.00 -0.07 0.04 0.00 -1.36 0.00 0.00 55.97 54.58 2avg s LYS 96 Cb 0.00 -3.42 -0.02 0.00 -1.68 0.00 0.00 37.83 32.70 2avg s LYS 96 CO 0.00 0.27 -0.13 0.12 -0.76 0.00 0.00 175.35 174.85 2avg s PHE 97 N 0.41 1.12 -0.01 3.18 5.36 -1.26 -2.28 117.98 124.50 2avg s PHE 97 Ca 0.12 -0.39 -0.30 0.00 -0.96 0.00 0.00 56.93 55.40 2avg s PHE 97 Cb -0.12 -0.65 0.11 0.00 -0.34 0.00 0.00 43.02 42.02 2avg s PHE 97 CO 0.01 0.02 1.13 0.34 -1.46 0.00 0.00 175.22 175.27 2avg s ASP 98 N -1.31 -0.15 0.08 6.13 -1.08 -1.19 -4.98 116.67 114.18 2avg s ASP 98 Ca -0.01 -0.15 -0.20 0.00 -0.52 0.00 0.00 52.55 51.67 2avg s ASP 98 Cb -0.08 0.27 0.05 0.00 -1.46 0.00 0.00 42.92 41.69 2avg s ASP 98 CO 0.01 -0.47 0.48 0.00 0.52 0.00 0.00 175.17 175.71 2avg s SER 100 N -2.29 0.89 -0.12 0.00 1.04 0.30 -4.99 113.70 108.54 2avg s SER 100 Ca -0.02 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2avg s SER 100 Cb -0.00 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.14 2avg s SER 100 CO -0.06 -0.13 -0.11 0.54 0.98 0.00 0.00 173.24 174.46 2avg s ASN 101 N -1.25 2.34 -0.10 7.02 6.03 -1.26 -2.39 114.94 125.32 2avg s ASN 101 Ca -0.06 -0.38 -0.03 0.00 -1.03 0.00 0.00 52.86 51.35 2avg s ASN 101 Cb -0.08 -0.98 0.05 0.00 -3.03 0.00 0.00 41.25 37.20 2avg s ASN 101 CO 0.00 -0.06 0.13 0.72 -2.03 0.00 0.00 177.10 175.86 2avg s PHE 102 N 1.41 -0.05 -0.01 1.54 -0.71 -0.84 -4.81 117.98 114.52 2avg s PHE 102 Ca 0.01 0.27 -0.02 0.00 -1.04 0.00 0.00 56.93 56.15 2avg s PHE 102 Cb -0.13 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 2avg s PHE 102 CO -0.07 -0.34 0.18 0.54 -1.34 0.00 0.00 175.22 174.19 2avg s ASN 103 N 2.23 6.32 -0.17 1.98 2.20 -1.26 -0.62 114.94 125.63 2avg s ASN 103 Ca 0.04 0.33 -0.00 0.00 -0.94 0.00 0.00 52.86 52.29 2avg s ASN 103 Cb -0.13 -1.98 0.00 0.00 -2.00 0.00 0.00 41.25 37.15 2avg s ASN 103 CO -0.06 0.26 -0.15 -0.22 -2.94 0.00 0.00 177.10 173.99 2avg s LEU 104 N -1.95 2.44 -0.62 3.54 2.96 0.59 -1.74 118.68 123.90 2avg s LEU 104 Ca 0.27 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 2avg s LEU 104 Cb -0.13 -1.57 0.16 0.00 0.50 0.00 0.00 46.19 45.15 2avg s LEU 104 CO 0.19 0.04 0.55 -0.89 -1.32 0.00 0.00 176.35 174.92 2avg s THR 105 N 1.07 5.11 -0.35 3.68 2.01 0.14 -0.86 115.64 126.43 2avg s THR 105 Ca -0.00 -1.89 -0.29 0.00 0.31 0.00 0.00 61.69 59.81 2avg s THR 105 Cb -0.14 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.13 2avg s THR 105 CO -0.04 -0.90 1.14 0.54 -0.69 0.00 0.00 174.62 174.66 2avg s VAL 106 N 1.07 4.36 -0.76 3.82 0.11 -1.24 -0.95 120.40 126.81 2avg s VAL 106 Ca 0.08 1.53 -0.27 0.00 -2.93 0.00 0.00 61.98 60.39 2avg s VAL 106 Cb -0.23 -4.41 0.03 0.00 -1.53 0.00 0.00 36.38 30.24 2avg s VAL 106 CO -0.01 -0.61 1.29 -1.00 -3.33 0.00 0.00 175.10 171.44 2avg s HIS 107 N 4.00 2.30 -0.00 1.54 3.76 0.26 -4.77 115.29 122.37 2avg s HIS 107 Ca 0.48 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 2avg s HIS 107 Cb -0.12 -4.63 -0.01 0.00 1.11 0.00 0.00 32.58 28.93 2avg s HIS 107 CO 0.21 -2.07 0.60 1.49 -0.85 0.00 0.00 174.74 174.12 2avg h GLU 108 N 10.03 -0.04 -1.07 1.40 4.81 -1.89 0.47 114.58 128.29 2avg h GLU 108 Ca -0.25 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.75 2avg h GLU 108 Cb 1.05 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.34 2avg h GLU 108 CO 1.29 -0.03 -0.21 0.00 -0.73 0.00 0.00 179.01 179.33 2avg n ALA 109 N -2.04 -0.18 1.81 2.92 0.00 -1.26 -4.72 120.51 117.04 2avg n ALA 109 Ca -0.01 0.19 0.15 0.00 0.00 0.00 0.00 53.44 53.77 2avg n ALA 109 Cb 0.02 -1.39 0.79 0.00 0.00 0.00 0.00 19.45 18.86 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38