#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cmr s LEU 4 N 0.00 3.02 -0.26 1.08 1.43 -1.26 -4.16 118.68 118.53 2cmr s LEU 4 Ca 0.00 -1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 51.64 2cmr s LEU 4 Cb 0.00 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 2cmr s LEU 4 CO 0.00 -0.26 0.09 0.54 0.23 0.00 0.00 176.35 176.95 2cmr s VAL 5 N 1.28 4.39 0.23 -1.59 0.11 -0.14 -4.27 120.40 120.42 2cmr s VAL 5 Ca -0.03 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2cmr s VAL 5 Cb -0.19 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.53 2cmr s VAL 5 CO -0.07 0.28 0.40 -1.10 -3.33 0.00 0.00 175.10 171.28 2cmr s GLN 6 N 1.62 3.49 0.94 1.54 -0.21 -1.26 -0.95 119.66 124.83 2cmr s GLN 6 Ca 0.06 -0.44 -0.12 0.00 0.02 0.00 0.00 55.36 54.87 2cmr s GLN 6 Cb -0.16 -2.83 0.16 0.00 1.00 0.00 0.00 33.01 31.18 2cmr s GLN 6 CO 0.04 0.38 1.11 -1.54 -2.12 0.00 0.00 175.29 173.16 2cmr s SER 7 N -3.46 3.16 0.81 5.90 1.04 -0.99 -5.00 113.70 115.16 2cmr s SER 7 Ca 0.37 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 57.79 2cmr s SER 7 Cb -0.10 -1.74 0.08 0.00 0.10 0.00 0.00 66.02 64.36 2cmr s SER 7 CO 0.30 -2.78 1.13 -0.83 0.98 0.00 0.00 173.24 172.03 2cmr s GLY 8 N -3.74 1.60 0.60 7.32 0.00 -1.26 -4.70 107.32 107.15 2cmr s GLY 8 Ca 0.64 -0.42 -0.19 0.00 0.00 0.00 0.00 44.72 44.76 2cmr s GLY 8 CO 0.55 0.05 1.03 0.00 0.00 0.00 0.00 173.10 174.73 2cmr n ALA 9 N -3.40 0.39 -2.72 3.20 0.00 -1.26 -4.84 120.51 111.89 2cmr n ALA 9 Ca 0.07 0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 2cmr n ALA 9 Cb 0.58 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.74 2cmr n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cmr s GLU 10 N -2.83 0.66 -0.12 0.00 0.41 0.27 -5.00 118.70 112.08 2cmr s GLU 10 Ca 0.76 -0.40 -0.02 0.00 -0.41 0.00 0.00 54.97 54.90 2cmr s GLU 10 Cb -0.41 -0.61 -0.03 0.00 -1.78 0.00 0.00 34.13 31.30 2cmr s GLU 10 CO 0.46 0.16 -0.05 0.08 -0.49 0.00 0.00 175.26 175.42 2cmr s VAL 11 N -0.43 3.79 0.10 2.63 1.01 -1.26 -1.02 120.40 125.22 2cmr s VAL 11 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2cmr s VAL 11 Cb -0.05 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2cmr s VAL 11 CO 0.00 0.54 -0.07 -0.13 0.00 0.00 0.00 175.10 175.44 2cmr s ARG 12 N -0.15 0.84 0.35 2.72 1.81 0.28 -4.96 118.95 119.84 2cmr s ARG 12 Ca 0.02 -1.28 -0.11 0.00 -1.72 0.00 0.00 55.73 52.64 2cmr s ARG 12 Cb -0.13 -0.30 -0.07 0.00 -0.45 0.00 0.00 34.95 34.00 2cmr s ARG 12 CO 0.03 0.01 0.72 0.15 -0.68 0.00 0.00 175.30 175.53 2cmr s LYS 13 N -3.53 3.84 0.36 3.54 1.02 -1.25 -0.38 119.74 123.34 2cmr s LYS 13 Ca 0.10 0.48 -0.28 0.00 0.02 0.00 0.00 55.97 56.29 2cmr s LYS 13 Cb 0.03 -2.45 -0.12 0.00 -0.52 0.00 0.00 37.83 34.77 2cmr s LYS 13 CO -0.03 0.08 1.32 -2.30 -0.92 0.00 0.00 175.35 173.50 2cmr n PRO 14 N -0.87 2.21 0.00 -1.68 -0.02 -1.26 -2.11 135.00 131.26 2cmr n PRO 14 Ca 0.02 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2cmr n PRO 14 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2cmr n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cmr n GLY 15 N 0.71 3.03 3.12 -1.23 0.00 0.39 -4.93 105.19 106.28 2cmr n GLY 15 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2cmr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cmr n ALA 16 N -0.97 -0.95 -2.42 4.61 0.00 -0.90 -4.20 120.51 115.68 2cmr n ALA 16 Ca 0.00 -1.44 -0.22 0.00 0.00 0.00 0.00 53.44 51.79 2cmr n ALA 16 Cb 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2cmr n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cmr s SER 17 N -4.79 3.06 0.01 0.00 0.01 -1.26 -1.68 113.70 109.04 2cmr s SER 17 Ca 0.59 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2cmr s SER 17 Cb -0.02 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 2cmr s SER 17 CO 0.41 -0.15 -0.03 0.54 0.41 0.00 0.00 173.24 174.43 2cmr s VAL 18 N -2.80 0.17 -0.20 3.43 0.11 -1.00 -5.01 120.40 115.10 2cmr s VAL 18 Ca 0.27 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2cmr s VAL 18 Cb -0.01 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.69 2cmr s VAL 18 CO 0.12 -0.13 -0.09 -0.75 -3.33 0.00 0.00 175.10 170.92 2cmr s LYS 19 N -0.51 1.91 -0.01 1.54 2.20 -1.26 -1.33 119.74 122.28 2cmr s LYS 19 Ca -0.04 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2cmr s LYS 19 Cb -0.04 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 2cmr s LYS 19 CO -0.00 -0.44 -0.02 0.08 -0.36 0.00 0.00 175.35 174.61 2cmr s VAL 20 N 1.43 4.02 0.19 4.02 1.01 -0.12 -4.92 120.40 126.03 2cmr s VAL 20 Ca -0.01 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.44 2cmr s VAL 20 Cb -0.16 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2cmr s VAL 20 CO -0.08 0.40 -0.15 -0.94 0.00 0.00 0.00 175.10 174.33 2cmr s SER 21 N -1.46 3.94 -0.07 3.32 1.04 -1.26 -0.39 113.70 118.81 2cmr s SER 21 Ca 0.18 -0.71 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2cmr s SER 21 Cb -0.11 -0.54 0.04 0.00 0.10 0.00 0.00 66.02 65.51 2cmr s SER 21 CO 0.09 0.10 0.06 0.00 0.98 0.00 0.00 173.24 174.47 2cmr s LYS 23 N 2.15 3.94 0.51 0.00 1.02 -0.12 -0.44 119.74 126.80 2cmr s LYS 23 Ca 0.04 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.71 2cmr s LYS 23 Cb -0.13 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2cmr s LYS 23 CO -0.04 0.02 0.01 0.00 -0.92 0.00 0.00 175.35 174.42 2cmr s ALA 24 N 1.13 4.08 0.86 5.17 0.00 -0.49 -0.96 121.76 131.54 2cmr s ALA 24 Ca 0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 2cmr s ALA 24 Cb -0.14 0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.10 2cmr s ALA 24 CO 0.04 -0.04 1.09 -1.54 0.00 0.00 0.00 175.76 175.32 2cmr s SER 25 N -3.88 3.85 0.18 0.00 1.04 -1.26 -4.75 113.70 108.88 2cmr s SER 25 Ca 0.08 1.42 -0.20 0.00 0.48 0.00 0.00 55.95 57.73 2cmr s SER 25 Cb 0.02 -2.11 0.11 0.00 0.10 0.00 0.00 66.02 64.14 2cmr s SER 25 CO 0.04 -2.39 1.60 1.23 0.98 0.00 0.00 173.24 174.70 2cmr h GLY 26 N -1.38 -0.04 0.60 7.32 0.00 -1.97 -2.92 103.07 104.67 2cmr h GLY 26 Ca -0.49 0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.25 2cmr h GLY 26 CO 0.56 -0.21 -0.07 -1.80 0.00 0.00 0.00 176.54 175.02 2cmr h ASP 27 N -0.17 -0.24 -0.75 0.19 1.82 -2.00 -2.06 116.42 113.22 2cmr h ASP 27 Ca 0.22 0.06 0.17 0.00 -0.39 0.00 0.00 57.03 57.08 2cmr h ASP 27 Cb 0.52 0.14 -0.11 0.00 0.68 0.00 0.00 39.33 40.55 2cmr h ASP 27 CO -0.59 -0.10 0.16 0.74 -1.61 0.00 0.00 179.24 177.84 2cmr h THR 28 N -0.05 0.48 0.00 2.25 2.02 -1.95 -2.54 112.91 113.12 2cmr h THR 28 Ca 0.09 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 2cmr h THR 28 Cb 0.18 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2cmr h THR 28 CO -0.20 0.04 -0.31 -0.26 0.37 0.00 0.00 175.52 175.17 2cmr h PHE 29 N 0.24 0.00 0.00 3.16 -1.00 -1.19 -1.82 116.94 116.33 2cmr h PHE 29 Ca 0.42 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2cmr h PHE 29 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2cmr h PHE 29 CO -0.28 0.31 -0.66 0.66 -1.61 0.00 0.00 178.31 176.73 2cmr h SER 30 N 0.00 0.00 0.00 2.17 4.64 -1.03 -3.30 113.55 116.03 2cmr h SER 30 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2cmr h SER 30 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2cmr h SER 30 CO 0.04 0.05 0.00 -1.20 -0.87 0.00 0.00 176.83 174.85 2cmr n SER 31 N -2.42 0.00 -4.12 4.97 7.64 -1.07 -4.87 113.62 113.75 2cmr n SER 31 Ca 0.02 -1.00 -0.22 0.00 1.01 0.00 0.00 58.87 58.68 2cmr n SER 31 Cb 0.49 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 2cmr n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2cmr s TYR 32 N 0.00 1.74 0.19 1.43 2.02 -0.69 -4.74 117.35 117.31 2cmr s TYR 32 Ca 0.00 -1.26 0.09 0.00 -0.37 0.00 0.00 57.07 55.53 2cmr s TYR 32 Cb 0.00 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2cmr s TYR 32 CO 0.00 -0.34 -0.08 0.00 -1.57 0.00 0.00 175.55 173.56 2cmr s ALA 33 N -3.39 2.99 -0.16 3.71 0.00 -0.97 -4.26 121.76 119.67 2cmr s ALA 33 Ca 0.31 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 2cmr s ALA 33 Cb 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2cmr s ALA 33 CO 0.16 0.44 -0.13 0.42 0.00 0.00 0.00 175.76 176.65 2cmr s ILE 34 N -1.80 2.85 0.12 0.00 -1.09 -0.25 -0.67 121.20 120.36 2cmr s ILE 34 Ca 0.26 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 58.02 2cmr s ILE 34 Cb -0.08 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 2cmr s ILE 34 CO 0.16 0.50 0.05 -0.44 -1.23 0.00 0.00 174.94 173.99 2cmr s SER 35 N 0.81 5.23 -0.13 3.58 0.01 0.13 -1.36 113.70 121.97 2cmr s SER 35 Ca -0.05 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.05 2cmr s SER 35 Cb -0.15 -1.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 2cmr s SER 35 CO 0.00 0.14 -0.12 0.26 0.41 0.00 0.00 173.24 173.93 2cmr s TRP 36 N -1.50 2.84 -0.03 2.43 0.52 0.66 -0.29 118.94 123.57 2cmr s TRP 36 Ca 0.28 -0.57 0.01 0.00 0.02 0.00 0.00 56.10 55.84 2cmr s TRP 36 Cb -0.11 -1.85 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2cmr s TRP 36 CO 0.20 -0.16 -0.02 0.08 0.02 0.00 0.00 176.95 177.07 2cmr s VAL 37 N 0.29 0.33 0.31 4.03 1.01 0.17 -0.65 120.40 125.89 2cmr s VAL 37 Ca -0.09 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 61.96 2cmr s VAL 37 Cb -0.15 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 2cmr s VAL 37 CO 0.05 0.16 -0.11 0.00 0.00 0.00 0.00 175.10 175.20 2cmr s ARG 38 N 0.78 1.84 -0.24 2.72 1.70 -0.46 0.73 118.95 126.00 2cmr s ARG 38 Ca -0.09 -1.81 -0.02 0.00 -0.47 0.00 0.00 55.73 53.34 2cmr s ARG 38 Cb -0.12 -1.79 0.13 0.00 -0.57 0.00 0.00 34.95 32.60 2cmr s ARG 38 CO -0.01 0.23 0.36 -1.14 -1.08 0.00 0.00 175.30 173.66 2cmr s GLN 39 N -3.59 0.33 0.61 3.89 0.74 0.18 -1.04 119.66 120.78 2cmr s GLN 39 Ca 0.32 0.43 -0.17 0.00 0.05 0.00 0.00 55.36 55.99 2cmr s GLN 39 Cb -0.01 -0.56 -0.03 0.00 1.10 0.00 0.00 33.01 33.51 2cmr s GLN 39 CO 0.17 -0.69 1.12 0.00 -0.55 0.00 0.00 175.29 175.33 2cmr s ALA 40 N 2.51 2.57 0.08 1.58 0.00 -1.26 -1.35 121.76 125.88 2cmr s ALA 40 Ca 0.12 0.68 -0.33 0.00 0.00 0.00 0.00 51.96 52.44 2cmr s ALA 40 Cb -0.15 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 2cmr s ALA 40 CO -0.17 -1.06 1.79 -0.35 0.00 0.00 0.00 175.76 175.96 2cmr n PRO 41 N -1.91 2.49 -0.66 0.00 -0.04 -1.26 -1.29 135.00 132.32 2cmr n PRO 41 Ca 0.11 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 2cmr n PRO 41 Cb 0.51 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 2cmr n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cmr n GLY 42 N 4.08 1.46 1.02 0.55 0.00 -1.26 -5.01 105.19 106.03 2cmr n GLY 42 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 2cmr n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cmr n GLN 43 N -2.00 1.12 -2.63 1.61 1.13 -0.41 -5.14 117.38 111.05 2cmr n GLN 43 Ca 0.00 -0.88 -0.23 0.00 -1.94 0.00 0.00 57.00 53.96 2cmr n GLN 43 Cb 0.00 0.03 0.09 0.00 0.11 0.00 0.00 30.24 30.47 2cmr n GLN 43 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2cmr s GLY 44 N -2.43 1.77 0.25 1.08 0.00 -1.26 -4.73 107.32 102.01 2cmr s GLY 44 Ca 0.12 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 42.88 2cmr s GLY 44 CO 0.07 -1.17 1.12 1.08 0.00 0.00 0.00 173.10 174.21 2cmr s LEU 45 N -5.01 4.52 -0.08 0.66 1.43 -1.26 -4.38 118.68 114.56 2cmr s LEU 45 Ca 0.64 2.26 -0.01 0.00 -1.03 0.00 0.00 54.13 55.99 2cmr s LEU 45 Cb -0.07 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2cmr s LEU 45 CO 0.42 -0.21 -0.02 -0.70 0.23 0.00 0.00 176.35 176.08 2cmr s GLU 46 N -1.13 0.83 -0.02 1.70 2.12 -0.21 -4.98 118.70 117.01 2cmr s GLU 46 Ca 0.47 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 2cmr s GLU 46 Cb -0.32 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 2cmr s GLU 46 CO 0.40 -0.28 1.20 -0.46 -0.54 0.00 0.00 175.26 175.58 2cmr s TRP 47 N 1.86 3.24 -0.25 5.30 -0.00 -1.26 -1.36 118.94 126.47 2cmr s TRP 47 Ca 0.04 1.23 -0.06 0.00 -0.00 0.00 0.00 56.10 57.31 2cmr s TRP 47 Cb -0.12 -3.43 -0.17 0.00 -0.00 0.00 0.00 33.47 29.75 2cmr s TRP 47 CO -0.06 -1.33 -0.17 -1.33 -0.00 0.00 0.00 176.95 174.06 2cmr n MET 48 N 4.88 0.64 -3.68 5.86 2.81 0.18 -4.51 117.12 123.30 2cmr n MET 48 Ca 0.10 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 2cmr n MET 48 Cb 0.46 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 2cmr n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cmr n GLY 49 N 1.85 -2.12 3.47 3.03 0.00 -1.18 -0.99 105.19 109.26 2cmr n GLY 49 Ca -0.46 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 2cmr n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cmr s GLY 50 N 0.00 -0.20 0.02 -0.02 0.00 -0.54 -0.25 107.32 106.33 2cmr s GLY 50 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.64 2cmr s GLY 50 CO 0.00 -0.21 -0.04 -1.50 0.00 0.00 0.00 173.10 171.35 2cmr s ILE 51 N -3.84 0.23 -0.48 0.90 2.07 -0.46 -1.69 121.20 117.92 2cmr s ILE 51 Ca 0.07 -0.77 -0.08 0.00 -1.41 0.00 0.00 60.65 58.46 2cmr s ILE 51 Cb -0.00 -0.32 0.12 0.00 0.13 0.00 0.00 42.46 42.39 2cmr s ILE 51 CO -0.06 -0.35 0.34 -0.63 -1.91 0.00 0.00 174.94 172.33 2cmr s ILE 52 N -1.13 4.07 0.41 2.00 1.01 -0.55 -1.09 121.20 125.92 2cmr s ILE 52 Ca -0.11 -1.94 0.15 0.00 0.00 0.00 0.00 60.65 58.75 2cmr s ILE 52 Cb -0.08 -3.69 0.36 0.00 0.01 0.00 0.00 42.46 39.06 2cmr s ILE 52 CO -0.00 -0.78 1.88 -0.65 0.00 0.00 0.00 174.94 175.38 2cmr h PRO 52 N 8.26 0.46 0.00 2.79 0.11 -1.80 0.11 132.00 141.93 2cmr h PRO 52 Ca -0.17 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 2cmr h PRO 52 Cb 1.06 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2cmr h PRO 52 CO 0.82 0.30 -0.16 -0.84 -0.21 0.00 0.00 178.00 177.91 2cmr h ILE 53 N 0.47 0.65 0.00 4.15 3.07 -1.86 -3.02 117.51 120.97 2cmr h ILE 53 Ca 0.44 -0.67 -0.27 0.00 1.55 0.00 0.00 64.86 65.90 2cmr h ILE 53 Cb 0.98 1.43 -0.05 0.00 -0.27 0.00 0.00 36.82 38.90 2cmr h ILE 53 CO -0.17 0.15 -2.25 0.49 -1.05 0.00 0.00 178.15 175.33 2cmr n PHE 54 N -3.68 0.00 -0.99 0.16 0.99 -0.53 -5.00 117.46 108.40 2cmr n PHE 54 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2cmr n PHE 54 Cb 0.28 -0.85 0.00 0.00 -1.00 0.00 0.00 39.48 37.91 2cmr n PHE 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2cmr n GLY 55 N 1.68 0.91 3.78 1.37 0.00 -0.09 -5.04 105.19 107.80 2cmr n GLY 55 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2cmr n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cmr s THR 56 N -3.67 3.29 0.07 2.61 -4.23 -1.24 -4.82 115.64 107.65 2cmr s THR 56 Ca 0.00 0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 2cmr s THR 56 Cb 0.00 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.60 2cmr s THR 56 CO 0.00 -0.25 0.27 0.00 -0.54 0.00 0.00 174.62 174.09 2cmr s ALA 57 N -2.02 -0.53 -0.03 3.99 0.00 -1.26 -1.48 121.76 120.43 2cmr s ALA 57 Ca 0.70 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 2cmr s ALA 57 Cb -0.22 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2cmr s ALA 57 CO 0.32 -0.47 0.12 1.21 0.00 0.00 0.00 175.76 176.94 2cmr s ASN 58 N -2.41 -0.07 0.11 0.00 3.84 -0.68 -5.01 114.94 110.73 2cmr s ASN 58 Ca -0.01 0.09 0.09 0.00 0.21 0.00 0.00 52.86 53.24 2cmr s ASN 58 Cb 0.01 0.24 -0.04 0.00 -0.55 0.00 0.00 41.25 40.92 2cmr s ASN 58 CO -0.07 -0.15 -0.22 -0.31 -2.79 0.00 0.00 177.10 173.57 2cmr s TYR 59 N -0.41 1.87 0.54 0.43 1.51 -1.26 -1.47 117.35 118.57 2cmr s TYR 59 Ca -0.05 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.39 2cmr s TYR 59 Cb -0.03 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 2cmr s TYR 59 CO 0.00 0.23 1.20 0.00 -1.11 0.00 0.00 175.55 175.88 2cmr s ALA 60 N -1.20 2.72 0.23 3.71 0.00 -0.16 -4.81 121.76 122.25 2cmr s ALA 60 Ca 0.08 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 2cmr s ALA 60 Cb -0.10 -3.43 0.38 0.00 0.00 0.00 0.00 23.12 19.98 2cmr s ALA 60 CO 0.05 -0.97 1.73 1.96 0.00 0.00 0.00 175.76 178.53 2cmr h GLN 61 N 1.32 0.42 -0.22 0.00 4.20 -1.92 -1.96 115.11 116.94 2cmr h GLN 61 Ca -0.50 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.25 2cmr h GLN 61 Cb 1.28 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2cmr h GLN 61 CO 0.57 0.27 0.24 0.00 -0.67 0.00 0.00 178.83 179.24 2cmr h ALA 62 N 1.50 1.87 0.00 3.87 0.00 -1.96 -3.03 119.26 121.51 2cmr h ALA 62 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2cmr h ALA 62 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2cmr h ALA 62 CO -0.37 -0.35 -0.37 1.19 0.00 0.00 0.00 179.25 179.35 2cmr n PHE 63 N -3.82 0.00 -1.40 0.00 3.72 -0.78 -4.99 117.46 110.19 2cmr n PHE 63 Ca 0.03 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.88 2cmr n PHE 63 Cb 0.37 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.82 2cmr n PHE 63 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2cmr n GLN 64 N -1.19 0.00 0.00 -1.08 -0.06 -0.95 -1.18 117.38 112.93 2cmr n GLN 64 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 2cmr n GLN 64 Cb 0.10 -1.28 0.00 0.00 -4.06 0.00 0.00 30.24 25.00 2cmr n GLN 64 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2cmr n GLY 65 N 2.50 2.41 0.00 1.69 0.00 -1.26 -4.82 105.19 105.70 2cmr n GLY 65 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2cmr n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cmr n ARG 66 N -0.13 5.96 -5.31 1.61 1.74 -0.32 -5.04 116.66 115.18 2cmr n ARG 66 Ca 0.00 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 2cmr n ARG 66 Cb 0.00 -0.47 -0.16 0.00 -1.02 0.00 0.00 32.46 30.81 2cmr n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2cmr s VAL 67 N -0.86 2.05 -0.05 1.55 0.11 -0.96 -4.21 120.40 118.03 2cmr s VAL 67 Ca 0.00 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 57.96 2cmr s VAL 67 Cb 0.00 -1.70 0.02 0.00 -1.53 0.00 0.00 36.38 33.17 2cmr s VAL 67 CO 0.00 0.58 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.38 2cmr s THR 68 N -0.58 0.78 -0.12 5.04 2.01 -0.26 -4.93 115.64 117.59 2cmr s THR 68 Ca 0.09 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2cmr s THR 68 Cb -0.10 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.66 2cmr s THR 68 CO -0.01 0.27 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.37 2cmr s ILE 69 N 0.74 2.46 0.19 1.82 1.01 -1.26 -1.10 121.20 125.06 2cmr s ILE 69 Ca -0.12 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2cmr s ILE 69 Cb -0.14 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2cmr s ILE 69 CO 0.02 0.54 -0.03 0.42 0.00 0.00 0.00 174.94 175.89 2cmr s THR 70 N 0.42 0.98 -0.17 2.92 -4.23 -1.06 -4.97 115.64 109.52 2cmr s THR 70 Ca -0.14 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.27 2cmr s THR 70 Cb -0.17 -2.13 0.07 0.00 1.34 0.00 0.00 72.50 71.62 2cmr s THR 70 CO 0.06 -0.50 0.39 0.00 -0.54 0.00 0.00 174.62 174.04 2cmr s ALA 71 N -3.45 -1.02 -0.26 3.99 0.00 -1.26 -0.64 121.76 119.12 2cmr s ALA 71 Ca 0.23 1.43 -0.08 0.00 0.00 0.00 0.00 51.96 53.55 2cmr s ALA 71 Cb 0.05 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 2cmr s ALA 71 CO 0.05 -0.52 0.08 0.54 0.00 0.00 0.00 175.76 175.91 2cmr s ASN 72 N 2.03 5.21 0.60 0.00 4.22 -0.15 -4.95 114.94 121.91 2cmr s ASN 72 Ca -0.05 -0.22 0.33 0.00 -2.14 0.00 0.00 52.86 50.78 2cmr s ASN 72 Cb -0.10 -1.94 1.92 0.00 1.28 0.00 0.00 41.25 42.41 2cmr s ASN 72 CO -0.12 -0.05 2.25 -0.33 -2.04 0.00 0.00 177.10 176.82 2cmr h GLU 73 N 8.25 0.00 0.00 3.55 5.08 -1.90 -2.48 114.58 127.08 2cmr h GLU 73 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2cmr h GLU 73 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2cmr h GLU 73 CO 0.58 0.02 0.00 0.66 -1.00 0.00 0.00 179.01 179.27 2cmr h SER 74 N 0.00 0.00 0.00 1.42 4.64 -1.96 -3.08 113.55 114.57 2cmr h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cmr h SER 74 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2cmr h SER 74 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2cmr n THR 75 N -2.88 0.69 -3.84 2.95 -2.24 -1.03 -5.02 114.28 102.92 2cmr n THR 75 Ca 0.02 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.78 2cmr n THR 75 Cb 0.36 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 2cmr n THR 75 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2cmr n SER 76 N -0.34 -0.94 -4.18 3.42 7.64 -0.96 -4.80 113.62 113.45 2cmr n SER 76 Ca 0.00 -0.87 -0.30 0.00 1.01 0.00 0.00 58.87 58.71 2cmr n SER 76 Cb 0.25 -1.06 -0.17 0.00 -1.01 0.00 0.00 64.21 62.22 2cmr n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2cmr s THR 77 N -3.97 1.81 0.11 0.44 2.01 -1.15 -1.40 115.64 113.49 2cmr s THR 77 Ca 0.16 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.34 2cmr s THR 77 Cb -0.09 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2cmr s THR 77 CO 0.66 0.51 -0.10 0.00 -0.69 0.00 0.00 174.62 175.00 2cmr s ALA 78 N 0.29 2.97 0.11 7.40 0.00 0.42 -0.97 121.76 131.97 2cmr s ALA 78 Ca -0.14 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.59 2cmr s ALA 78 Cb -0.16 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2cmr s ALA 78 CO 0.06 0.62 -0.11 0.71 0.00 0.00 0.00 175.76 177.05 2cmr s TYR 79 N -1.28 1.15 -0.10 0.00 2.02 0.19 -0.13 117.35 119.20 2cmr s TYR 79 Ca 0.22 -0.67 -0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2cmr s TYR 79 Cb -0.11 -0.61 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 2cmr s TYR 79 CO 0.14 0.03 -0.06 1.41 -1.57 0.00 0.00 175.55 175.51 2cmr s MET 80 N -2.99 1.28 -0.20 -0.62 1.75 0.47 -2.56 119.30 116.42 2cmr s MET 80 Ca 0.08 -0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.34 2cmr s MET 80 Cb -0.02 -1.39 0.00 0.00 2.84 0.00 0.00 34.83 36.26 2cmr s MET 80 CO 0.00 -0.25 -0.10 -2.00 -0.65 0.00 0.00 175.02 172.02 2cmr s GLU 81 N 1.69 3.25 0.30 4.11 2.12 -0.26 -0.94 118.70 128.96 2cmr s GLU 81 Ca 0.03 -0.70 0.10 0.00 0.36 0.00 0.00 54.97 54.77 2cmr s GLU 81 Cb -0.13 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 2cmr s GLU 81 CO -0.07 -0.19 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.27 2cmr s LEU 82 N 1.38 3.00 0.00 2.70 2.96 -0.44 -1.10 118.68 127.18 2cmr s LEU 82 Ca 0.05 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 53.11 2cmr s LEU 82 Cb -0.14 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.08 2cmr s LEU 82 CO -0.06 -0.09 0.00 -1.20 -1.32 0.00 0.00 176.35 173.68 2cmr n SER 82 N -0.87 0.00 -4.73 3.68 7.64 -1.22 -2.38 113.62 115.75 2cmr n SER 82 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 2cmr n SER 82 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.78 2cmr n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2cmr s LEU 82 N -2.79 4.37 0.41 -3.43 1.43 -0.68 -4.65 118.68 113.33 2cmr s LEU 82 Ca 0.00 2.70 0.07 0.00 -1.03 0.00 0.00 54.13 55.87 2cmr s LEU 82 Cb 0.00 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 2cmr s LEU 82 CO 0.00 -0.84 0.08 -0.13 0.23 0.00 0.00 176.35 175.69 2cmr s ARG 83 N 0.77 2.08 0.42 1.70 0.52 -1.26 -0.46 118.95 122.71 2cmr s ARG 83 Ca 0.69 -2.00 0.16 0.00 -0.52 0.00 0.00 55.73 54.06 2cmr s ARG 83 Cb -0.45 -1.79 0.94 0.00 0.52 0.00 0.00 34.95 34.17 2cmr s ARG 83 CO 0.35 -0.08 1.92 0.66 0.02 0.00 0.00 175.30 178.17 2cmr h SER 84 N 1.62 0.00 0.41 0.23 4.64 -1.96 -1.69 113.55 116.80 2cmr h SER 84 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2cmr h SER 84 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2cmr h SER 84 CO 0.76 0.26 0.00 -1.84 -0.87 0.00 0.00 176.83 175.15 2cmr n GLU 85 N -4.08 0.36 0.01 4.77 0.00 -1.26 -1.89 120.64 118.55 2cmr n GLU 85 Ca -0.02 0.06 0.13 0.00 0.00 0.00 0.00 57.16 57.33 2cmr n GLU 85 Cb 0.33 -1.50 0.47 0.00 0.00 0.00 0.00 31.44 30.74 2cmr n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2cmr n ASP 86 N -1.27 0.25 -4.65 -1.84 10.43 -0.63 -4.83 116.55 114.01 2cmr n ASP 86 Ca 0.11 0.27 -0.48 0.00 2.57 0.00 0.00 54.79 57.26 2cmr n ASP 86 Cb 0.18 -0.27 -0.05 0.00 1.84 0.00 0.00 41.12 42.82 2cmr n ASP 86 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2cmr n THR 87 N -1.60 0.53 -3.66 -3.53 -1.04 -0.80 -4.89 114.28 99.30 2cmr n THR 87 Ca 0.06 -0.16 -0.01 0.00 -2.04 0.00 0.00 64.05 61.90 2cmr n THR 87 Cb 0.35 -1.94 -0.01 0.00 -1.82 0.00 0.00 70.33 66.91 2cmr n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cmr s ALA 88 N 4.85 -1.97 -0.12 2.41 0.00 -0.67 -4.51 121.76 121.75 2cmr s ALA 88 Ca 0.95 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 53.24 2cmr s ALA 88 Cb -0.67 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2cmr s ALA 88 CO 0.50 -0.99 0.70 0.42 0.00 0.00 0.00 175.76 176.38 2cmr s ILE 89 N -2.80 5.01 -0.27 0.00 -1.09 -0.46 -1.52 121.20 120.06 2cmr s ILE 89 Ca 0.12 1.41 -0.08 0.00 -2.23 0.00 0.00 60.65 59.87 2cmr s ILE 89 Cb 0.02 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 2cmr s ILE 89 CO -0.02 0.18 0.09 -0.31 -1.23 0.00 0.00 174.94 173.65 2cmr s TYR 90 N 1.31 3.12 -0.10 3.97 1.51 -0.25 -0.64 117.35 126.27 2cmr s TYR 90 Ca 0.35 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 2cmr s TYR 90 Cb -0.17 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 2cmr s TYR 90 CO 0.15 -0.42 0.04 0.71 -1.11 0.00 0.00 175.55 174.92 2cmr s TYR 91 N 1.60 3.28 0.11 2.71 1.51 0.22 -1.38 117.35 125.40 2cmr s TYR 91 Ca 0.05 0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 2cmr s TYR 91 Cb -0.16 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 2cmr s TYR 91 CO 0.04 0.54 0.35 0.00 -1.11 0.00 0.00 175.55 175.38 2cmr s ALA 93 N -1.55 0.08 -0.37 0.00 0.00 0.60 -1.28 121.76 119.24 2cmr s ALA 93 Ca 0.37 -0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2cmr s ALA 93 Cb -0.13 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2cmr s ALA 93 CO 0.22 -0.02 0.56 0.50 0.00 0.00 0.00 175.76 177.02 2cmr s ARG 94 N -0.34 3.53 -0.29 0.00 3.52 -0.55 0.22 118.95 125.04 2cmr s ARG 94 Ca -0.03 -0.20 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 2cmr s ARG 94 Cb -0.02 -3.85 0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2cmr s ARG 94 CO -0.00 -0.74 0.95 -0.51 -0.81 0.00 0.00 175.30 174.19 2cmr s ASP 95 N 1.81 6.86 -0.34 -2.12 -0.00 0.15 -2.16 116.67 120.88 2cmr s ASP 95 Ca 0.20 0.97 -0.14 0.00 -0.00 0.00 0.00 52.55 53.58 2cmr s ASP 95 Cb -0.15 -2.49 -0.02 0.00 -0.00 0.00 0.00 42.92 40.27 2cmr s ASP 95 CO 0.15 -0.72 0.31 0.21 -0.00 0.00 0.00 175.17 175.11 2cmr s ASN 96 N 1.54 6.13 0.32 0.27 3.84 -0.19 -2.30 114.94 124.55 2cmr s ASN 96 Ca 0.40 -0.29 0.25 0.00 0.21 0.00 0.00 52.86 53.43 2cmr s ASN 96 Cb -0.14 -2.17 1.09 0.00 -0.55 0.00 0.00 41.25 39.48 2cmr s ASN 96 CO 0.12 -0.29 1.76 1.55 -2.79 0.00 0.00 177.10 177.46 2cmr h PRO 97 N 8.47 0.00 -0.10 0.43 0.13 -1.86 0.22 132.00 139.29 2cmr h PRO 97 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.64 2cmr h PRO 97 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2cmr h PRO 97 CO 0.66 0.00 -0.71 1.15 -0.23 0.00 0.00 178.00 178.87 2cmr h THR 98 N 0.00 1.35 0.00 1.56 2.02 -1.95 -3.34 112.91 112.55 2cmr h THR 98 Ca 0.00 -2.07 -0.17 0.00 0.77 0.00 0.00 66.41 64.94 2cmr h THR 98 Cb 0.34 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 2cmr h THR 98 CO 0.00 0.63 -1.53 0.18 0.37 0.00 0.00 175.52 175.17 2cmr n LEU 99 N -3.87 0.73 -3.85 2.58 4.32 -0.96 -4.99 117.00 110.96 2cmr n LEU 99 Ca -0.05 0.32 -0.27 0.00 -0.02 0.00 0.00 56.01 55.99 2cmr n LEU 99 Cb 0.70 0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 2cmr n LEU 99 CO 0.49 0.16 -0.17 0.18 -1.22 0.00 0.00 177.39 176.83 2cmr n LEU 100 N -2.83 -2.43 -3.82 2.23 4.77 0.74 -5.00 117.00 110.66 2cmr n LEU 100 Ca -0.11 -1.00 -0.05 0.00 -0.03 0.00 0.00 56.01 54.81 2cmr n LEU 100 Cb 0.84 -2.30 -0.00 0.00 -2.33 0.00 0.00 43.42 39.64 2cmr n LEU 100 CO 0.43 0.45 0.63 -0.83 -1.33 0.00 0.00 177.39 176.75 2cmr s GLY 100 N -4.08 0.00 -0.43 -0.72 0.00 -1.18 -5.00 107.32 95.91 2cmr s GLY 100 Ca 0.15 -0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.41 2cmr s GLY 100 CO 0.88 0.36 0.55 -0.56 0.00 0.00 0.00 173.10 174.33 2cmr s SER 100 N -3.05 6.27 0.20 1.64 0.01 -1.26 -1.02 113.70 116.48 2cmr s SER 100 Ca 0.14 -0.46 0.22 0.00 1.31 0.00 0.00 55.95 57.16 2cmr s SER 100 Cb -0.04 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 2cmr s SER 100 CO 0.06 -0.68 1.03 -2.24 0.41 0.00 0.00 173.24 171.82 2cmr h ASP 101 N 8.80 0.00 -3.95 2.44 2.03 -1.82 -3.47 116.42 120.45 2cmr h ASP 101 Ca -0.26 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.73 2cmr h ASP 101 Cb 1.10 0.00 -0.28 0.00 -0.83 0.00 0.00 39.33 39.32 2cmr h ASP 101 CO 0.85 0.05 -0.75 -0.31 -1.03 0.00 0.00 179.24 178.05 2cmr s TYR 102 N -3.32 0.44 0.04 4.15 2.02 -1.26 -5.04 117.35 114.38 2cmr s TYR 102 Ca -0.01 -0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.64 2cmr s TYR 102 Cb 0.09 -0.28 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 2cmr s TYR 102 CO 0.79 -0.01 -0.17 -1.58 -1.57 0.00 0.00 175.55 173.01 2cmr s TRP 103 N -0.20 1.46 1.10 2.71 0.52 -1.26 -1.48 118.94 121.79 2cmr s TRP 103 Ca 0.01 -0.36 -0.16 0.00 0.02 0.00 0.00 56.10 55.61 2cmr s TRP 103 Cb -0.02 -0.87 0.24 0.00 -1.15 0.00 0.00 33.47 31.66 2cmr s TRP 103 CO -0.00 0.06 1.13 0.20 0.02 0.00 0.00 176.95 178.36 2cmr s GLY 104 N -1.15 1.60 0.24 0.98 0.00 -0.41 -4.70 107.32 103.88 2cmr s GLY 104 Ca 0.04 -0.80 0.26 0.00 0.00 0.00 0.00 44.72 44.22 2cmr s GLY 104 CO 0.01 -0.03 1.76 0.00 0.00 0.00 0.00 173.10 174.85 2cmr h ALA 105 N -2.19 1.00 0.00 3.20 0.00 -1.90 -3.45 119.26 115.92 2cmr h ALA 105 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2cmr h ALA 105 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2cmr h ALA 105 CO 0.43 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2cmr n GLY 106 N 1.16 0.99 3.00 0.00 0.00 -1.26 -5.03 105.19 104.06 2cmr n GLY 106 Ca 0.05 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 2cmr n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cmr s THR 107 N -2.18 1.56 -0.04 2.61 2.01 -0.48 -4.91 115.64 114.21 2cmr s THR 107 Ca 0.00 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 2cmr s THR 107 Cb 0.00 -1.54 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 2cmr s THR 107 CO 0.00 0.35 1.71 -0.22 -0.69 0.00 0.00 174.62 175.76 2cmr s LEU 108 N 1.47 4.34 -0.20 4.42 0.20 -1.26 -1.09 118.68 126.55 2cmr s LEU 108 Ca 0.03 2.31 -0.03 0.00 0.69 0.00 0.00 54.13 57.12 2cmr s LEU 108 Cb -0.14 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.08 2cmr s LEU 108 CO -0.10 -0.95 -0.07 -0.69 -0.29 0.00 0.00 176.35 174.25 2cmr s VAL 109 N 4.12 3.21 -0.19 1.68 1.01 -0.58 -0.56 120.40 129.09 2cmr s VAL 109 Ca 0.76 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 2cmr s VAL 109 Cb -0.35 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2cmr s VAL 109 CO 0.32 0.45 -0.03 -0.89 0.00 0.00 0.00 175.10 174.95 2cmr s THR 110 N 1.28 3.73 -0.29 3.92 2.01 -0.19 -1.67 115.64 124.42 2cmr s THR 110 Ca 0.03 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2cmr s THR 110 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.71 2cmr s THR 110 CO -0.03 0.44 0.07 -0.69 -0.69 0.00 0.00 174.62 173.72 2cmr s VAL 111 N 0.96 3.88 0.03 3.82 1.01 -1.26 -0.56 120.40 128.28 2cmr s VAL 111 Ca 0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 2cmr s VAL 111 Cb -0.14 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.33 2cmr s VAL 111 CO 0.01 0.08 0.98 -0.55 0.00 0.00 0.00 175.10 175.63 2cmr s SER 112 N 1.48 -0.25 0.05 3.32 0.15 0.49 -4.56 113.70 114.39 2cmr s SER 112 Ca 0.02 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 56.79 2cmr s SER 112 Cb -0.17 0.37 0.75 0.00 -1.71 0.00 0.00 66.02 65.26 2cmr s SER 112 CO 0.02 -0.64 1.61 -1.54 1.20 0.00 0.00 173.24 173.89 2cmr n SER 113 N -0.32 0.42 -4.75 5.45 3.41 -1.26 -3.91 113.62 112.65 2cmr n SER 113 Ca -0.07 0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 58.36 2cmr n SER 113 Cb 0.61 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 2cmr n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cmr s ALA 114 N -3.05 2.48 0.30 7.33 0.00 -1.26 -5.03 121.76 122.54 2cmr s ALA 114 Ca 0.11 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 2cmr s ALA 114 Cb 0.16 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2cmr s ALA 114 CO 0.64 -1.27 0.62 -1.12 0.00 0.00 0.00 175.76 174.62 2cmr s SER 115 N -1.77 6.53 0.27 0.00 0.01 -1.26 -5.04 113.70 112.44 2cmr s SER 115 Ca 0.76 0.90 -0.31 0.00 1.31 0.00 0.00 55.95 58.61 2cmr s SER 115 Cb -0.29 -2.22 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 2cmr s SER 115 CO 0.35 -0.21 1.55 0.41 0.41 0.00 0.00 173.24 175.75 2cmr n THR 116 N -0.77 0.90 -3.65 1.44 -1.04 -1.26 -4.68 114.28 105.22 2cmr n THR 116 Ca 0.00 -0.22 -0.05 0.00 -2.04 0.00 0.00 64.05 61.73 2cmr n THR 116 Cb 0.53 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.18 2cmr n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2cmr s LYS 117 N -0.31 0.62 0.97 -2.82 2.20 -0.66 -4.95 119.74 114.78 2cmr s LYS 117 Ca 0.66 1.26 -0.11 0.00 -0.36 0.00 0.00 55.97 57.43 2cmr s LYS 117 Cb -0.55 0.40 0.17 0.00 -1.51 0.00 0.00 37.83 36.34 2cmr s LYS 117 CO 0.47 -0.17 1.09 0.20 -0.36 0.00 0.00 175.35 176.58 2cmr s GLY 118 N 2.12 1.63 0.36 5.54 0.00 -1.26 -1.51 107.32 114.19 2cmr s GLY 118 Ca -0.08 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.67 2cmr s GLY 118 CO -0.19 0.70 0.80 2.56 0.00 0.00 0.00 173.10 176.97 2cmr s PRO 119 N -4.70 4.03 -0.05 2.90 0.04 -1.26 -4.40 135.00 131.56 2cmr s PRO 119 Ca 0.66 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 2cmr s PRO 119 Cb -0.22 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 2cmr s PRO 119 CO 0.59 0.08 0.42 -1.12 0.04 0.00 0.00 177.00 177.01 2cmr s SER 120 N -2.38 6.74 -0.27 6.66 0.01 -0.47 -4.91 113.70 119.08 2cmr s SER 120 Ca 0.56 0.88 -0.02 0.00 1.31 0.00 0.00 55.95 58.68 2cmr s SER 120 Cb -0.10 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.91 2cmr s SER 120 CO 0.18 0.21 -0.03 -0.69 0.41 0.00 0.00 173.24 173.33 2cmr s VAL 121 N -0.44 3.01 0.13 3.43 1.01 -1.26 -0.52 120.40 125.76 2cmr s VAL 121 Ca 0.24 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2cmr s VAL 121 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2cmr s VAL 121 CO 0.12 0.06 0.04 -0.36 0.00 0.00 0.00 175.10 174.96 2cmr s PHE 122 N 1.31 3.02 0.75 5.22 0.08 -0.24 -4.93 117.98 123.18 2cmr s PHE 122 Ca -0.02 -0.04 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 2cmr s PHE 122 Cb -0.18 -1.51 0.08 0.00 -0.57 0.00 0.00 43.02 40.84 2cmr s PHE 122 CO -0.02 0.50 1.07 -1.25 -0.10 0.00 0.00 175.22 175.42 2cmr s PRO 123 N -2.65 2.03 -0.19 0.24 0.04 -1.26 -0.10 135.00 133.11 2cmr s PRO 123 Ca 0.28 -0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.03 2cmr s PRO 123 Cb -0.11 -2.10 0.07 0.00 0.04 0.00 0.00 34.50 32.41 2cmr s PRO 123 CO 0.20 -1.40 0.44 -0.51 0.04 0.00 0.00 177.00 175.77 2cmr s LEU 124 N -5.37 -0.39 0.00 -3.56 1.43 -0.51 -4.66 118.68 105.62 2cmr s LEU 124 Ca 0.62 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2cmr s LEU 124 Cb -0.10 1.47 0.00 0.00 0.03 0.00 0.00 46.19 47.58 2cmr s LEU 124 CO 0.46 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.83 2cmr n ALA 125 N 4.69 1.71 0.00 4.21 0.00 -1.26 0.13 120.51 129.99 2cmr n ALA 125 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2cmr n ALA 125 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2cmr n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cmr n GLY 134 N 0.42 0.00 3.86 0.00 0.00 -1.26 -4.94 105.19 103.27 2cmr n GLY 134 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2cmr n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cmr s THR 135 N -4.19 1.50 0.23 2.61 -4.23 -1.26 -4.27 115.64 106.03 2cmr s THR 135 Ca 0.00 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2cmr s THR 135 Cb 0.00 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 2cmr s THR 135 CO 0.00 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.21 2cmr s ALA 136 N -2.80 1.38 -0.06 3.99 0.00 -0.87 -4.80 121.76 118.59 2cmr s ALA 136 Ca 0.25 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2cmr s ALA 136 Cb -0.01 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.43 2cmr s ALA 136 CO 0.16 -0.56 -0.05 0.00 0.00 0.00 0.00 175.76 175.30 2cmr s ALA 137 N -4.00 0.83 0.35 0.00 0.00 -1.26 -1.31 121.76 116.36 2cmr s ALA 137 Ca 0.39 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2cmr s ALA 137 Cb 0.07 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 2cmr s ALA 137 CO 0.13 -0.08 0.05 -0.48 0.00 0.00 0.00 175.76 175.38 2cmr s LEU 138 N 1.07 2.32 0.00 0.00 2.34 -0.98 -4.46 118.68 118.97 2cmr s LEU 138 Ca -0.08 -1.40 -0.20 0.00 0.06 0.00 0.00 54.13 52.51 2cmr s LEU 138 Cb -0.14 -0.49 0.07 0.00 -0.56 0.00 0.00 46.19 45.08 2cmr s LEU 138 CO -0.01 -0.59 0.98 0.61 -1.06 0.00 0.00 176.35 176.28 2cmr n GLY 139 N -0.77 0.67 2.93 -3.48 0.00 0.35 -0.71 105.19 104.18 2cmr n GLY 139 Ca -0.03 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 2cmr n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cmr s LEU 141 N 0.63 4.60 -0.68 0.00 2.96 0.86 -1.62 118.68 125.43 2cmr s LEU 141 Ca -0.09 -0.83 -0.19 0.00 -0.22 0.00 0.00 54.13 52.81 2cmr s LEU 141 Cb -0.12 -2.04 0.12 0.00 0.50 0.00 0.00 46.19 44.65 2cmr s LEU 141 CO 0.01 -0.33 0.80 -0.69 -1.32 0.00 0.00 176.35 174.81 2cmr s VAL 142 N 1.59 4.86 0.19 1.68 1.01 0.81 -1.08 120.40 129.46 2cmr s VAL 142 Ca 0.03 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 60.87 2cmr s VAL 142 Cb -0.18 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2cmr s VAL 142 CO 0.07 -1.21 0.05 -0.75 0.00 0.00 0.00 175.10 173.26 2cmr s LYS 143 N 2.51 2.55 -1.16 2.72 2.20 0.33 -1.03 119.74 127.85 2cmr s LYS 143 Ca 0.16 -1.08 -0.12 0.00 -0.36 0.00 0.00 55.97 54.57 2cmr s LYS 143 Cb -0.19 -2.42 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2cmr s LYS 143 CO 0.02 0.45 0.79 -0.25 -0.36 0.00 0.00 175.35 176.00 2cmr n ASP 144 N -0.34 -4.58 -4.61 1.43 8.00 0.02 -1.37 116.55 115.10 2cmr n ASP 144 Ca -0.09 -0.90 -0.25 0.00 0.71 0.00 0.00 54.79 54.26 2cmr n ASP 144 Cb 0.56 -3.95 -0.09 0.00 -0.02 0.00 0.00 41.12 37.61 2cmr n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2cmr s TYR 145 N -3.51 2.51 -0.28 1.24 1.13 -0.89 -4.33 117.35 113.22 2cmr s TYR 145 Ca 0.35 -0.45 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 2cmr s TYR 145 Cb -0.10 -1.46 0.09 0.00 -1.10 0.00 0.00 41.96 39.38 2cmr s TYR 145 CO 0.82 0.50 0.77 0.12 -2.51 0.00 0.00 175.55 175.26 2cmr s PHE 146 N -2.54 -0.82 0.00 -3.49 5.36 -0.57 -0.07 117.98 115.85 2cmr s PHE 146 Ca 0.34 1.83 0.00 0.00 -0.96 0.00 0.00 56.93 58.14 2cmr s PHE 146 Cb 0.00 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 2cmr s PHE 146 CO 0.19 -0.40 0.00 -0.35 -1.46 0.00 0.00 175.22 173.19 2cmr n PRO 147 N 3.27 1.33 -0.97 10.12 -0.04 -1.26 -1.64 135.00 145.81 2cmr n PRO 147 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 2cmr n PRO 147 Cb 0.57 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.16 2cmr n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2cmr s GLU 148 N -0.95 1.47 0.51 0.54 0.41 -1.26 -4.76 118.70 114.65 2cmr s GLU 148 Ca 0.00 1.29 0.08 0.00 -0.41 0.00 0.00 54.97 55.94 2cmr s GLU 148 Cb 0.00 -1.80 0.05 0.00 -1.78 0.00 0.00 34.13 30.60 2cmr s GLU 148 CO 0.00 -2.24 0.63 -1.25 -0.49 0.00 0.00 175.26 171.92 2cmr s PRO 149 N -4.77 2.47 0.02 0.39 0.04 -1.26 -4.96 135.00 126.92 2cmr s PRO 149 Ca 0.64 -1.57 0.05 0.00 0.04 0.00 0.00 61.00 60.17 2cmr s PRO 149 Cb -0.20 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 2cmr s PRO 149 CO 0.57 -0.59 -0.16 0.08 0.04 0.00 0.00 177.00 176.94 2cmr s VAL 150 N -2.57 1.29 -0.04 -0.36 1.01 -1.26 -4.38 120.40 114.09 2cmr s VAL 150 Ca 0.55 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2cmr s VAL 150 Cb -0.06 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2cmr s VAL 150 CO 0.34 0.21 -0.12 -0.89 0.00 0.00 0.00 175.10 174.64 2cmr s THR 151 N -0.61 3.25 -0.04 3.92 2.01 0.84 -4.97 115.64 120.04 2cmr s THR 151 Ca 0.05 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2cmr s THR 151 Cb -0.07 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.13 2cmr s THR 151 CO 0.01 0.54 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 2cmr s VAL 152 N -0.80 0.86 0.23 3.82 1.01 -1.26 -0.55 120.40 123.71 2cmr s VAL 152 Ca 0.13 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2cmr s VAL 152 Cb -0.11 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2cmr s VAL 152 CO 0.02 0.28 -0.06 -0.94 0.00 0.00 0.00 175.10 174.40 2cmr s SER 153 N 0.52 2.28 -0.09 3.32 1.04 -0.04 -4.97 113.70 115.76 2cmr s SER 153 Ca -0.09 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.22 2cmr s SER 153 Cb -0.13 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.92 2cmr s SER 153 CO 0.02 -0.37 -0.19 0.26 0.98 0.00 0.00 173.24 173.94 2cmr s TRP 154 N -3.19 2.14 -1.42 5.02 0.52 -1.26 -0.52 118.94 120.23 2cmr s TRP 154 Ca 0.26 -0.88 -0.02 0.00 0.02 0.00 0.00 56.10 55.48 2cmr s TRP 154 Cb 0.03 -1.47 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 2cmr s TRP 154 CO 0.08 -0.38 0.53 0.09 0.02 0.00 0.00 176.95 177.29 2cmr n ASN 155 N 3.70 -0.94 -3.54 2.95 3.02 0.15 -2.33 115.26 118.26 2cmr n ASN 155 Ca -0.20 -0.96 -0.25 0.00 -0.03 0.00 0.00 54.58 53.13 2cmr n ASN 155 Cb 0.52 -3.25 0.05 0.00 -0.61 0.00 0.00 39.78 36.49 2cmr n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2cmr n SER 156 N -2.96 -5.74 0.00 6.41 7.64 -1.26 -2.24 113.62 115.46 2cmr n SER 156 Ca -0.26 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.08 2cmr n SER 156 Cb 0.66 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 2cmr n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cmr n GLY 157 N -1.76 1.38 0.26 0.23 0.00 -0.99 -4.93 105.19 99.37 2cmr n GLY 157 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2cmr n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cmr h ALA 158 N 0.00 0.51 -2.60 4.61 0.00 -1.43 -3.43 119.26 116.92 2cmr h ALA 158 Ca 0.00 -0.49 -0.63 0.00 0.00 0.00 0.00 54.91 53.78 2cmr h ALA 158 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.55 2cmr h ALA 158 CO 0.00 0.68 -0.15 -1.17 0.00 0.00 0.00 179.25 178.61 2cmr s LEU 159 N -8.76 4.18 0.00 0.00 2.96 -1.14 -4.91 118.68 111.02 2cmr s LEU 159 Ca -0.11 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2cmr s LEU 159 Cb 0.11 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.29 2cmr s LEU 159 CO 0.89 -0.31 0.00 0.41 -1.32 0.00 0.00 176.35 176.02 2cmr n THR 160 N 5.23 0.00 -2.72 3.68 -1.04 -1.26 -4.43 114.28 113.74 2cmr n THR 160 Ca -0.07 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.60 2cmr n THR 160 Cb 0.50 -0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 68.14 2cmr n THR 160 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2cmr s SER 161 N -4.36 6.90 -0.16 8.00 0.01 -1.26 -3.28 113.70 119.55 2cmr s SER 161 Ca 0.00 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.08 2cmr s SER 161 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2cmr s SER 161 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2cmr n GLY 162 N -0.14 0.40 3.71 3.44 0.00 -1.26 -4.74 105.19 106.60 2cmr n GLY 162 Ca 0.06 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2cmr n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cmr s VAL 163 N -1.66 5.30 -0.23 1.61 1.01 -1.20 -2.15 120.40 123.07 2cmr s VAL 163 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2cmr s VAL 163 Cb 0.00 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2cmr s VAL 163 CO 0.00 0.44 0.04 -1.00 0.00 0.00 0.00 175.10 174.57 2cmr s HIS 164 N 0.40 1.40 -0.36 5.22 3.76 -0.62 -5.01 115.29 120.08 2cmr s HIS 164 Ca 0.07 -1.21 -0.15 0.00 -0.15 0.00 0.00 55.06 53.62 2cmr s HIS 164 Cb -0.11 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.30 2cmr s HIS 164 CO -0.01 -0.70 0.35 0.99 -0.85 0.00 0.00 174.74 174.52 2cmr s THR 165 N 1.73 5.18 0.55 1.30 2.01 -1.26 -1.71 115.64 123.44 2cmr s THR 165 Ca 0.01 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.76 2cmr s THR 165 Cb -0.17 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 2cmr s THR 165 CO -0.12 -0.13 1.04 -0.36 -0.69 0.00 0.00 174.62 174.36 2cmr s PHE 166 N 1.98 3.07 0.33 4.92 0.08 -0.76 -5.02 117.98 122.58 2cmr s PHE 166 Ca 0.11 1.52 -0.29 0.00 0.12 0.00 0.00 56.93 58.39 2cmr s PHE 166 Cb -0.17 -2.99 -0.11 0.00 -0.57 0.00 0.00 43.02 39.19 2cmr s PHE 166 CO 0.12 -0.92 1.48 -2.14 -0.10 0.00 0.00 175.22 173.66 2cmr s PRO 167 N -3.87 4.17 0.62 0.24 0.02 -1.26 -4.64 135.00 130.29 2cmr s PRO 167 Ca 0.64 2.49 -0.18 0.00 0.02 0.00 0.00 61.00 63.96 2cmr s PRO 167 Cb -0.15 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 2cmr s PRO 167 CO 0.32 -0.49 1.23 0.00 -0.33 0.00 0.00 177.00 177.72 2cmr s ALA 168 N -0.68 2.46 0.01 -1.55 0.00 -1.26 -4.82 121.76 115.92 2cmr s ALA 168 Ca 0.56 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.57 2cmr s ALA 168 Cb -0.45 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 2cmr s ALA 168 CO 0.55 -1.34 0.01 0.14 0.00 0.00 0.00 175.76 175.12 2cmr s VAL 169 N -1.61 4.20 -0.36 0.00 -7.23 -0.19 -4.95 120.40 110.27 2cmr s VAL 169 Ca 0.78 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 60.09 2cmr s VAL 169 Cb -0.32 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.73 2cmr s VAL 169 CO 0.36 0.33 0.72 -0.22 -0.31 0.00 0.00 175.10 175.98 2cmr s LEU 170 N -1.70 4.18 0.85 1.32 2.96 -1.26 -1.68 118.68 123.34 2cmr s LEU 170 Ca 0.21 0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.28 2cmr s LEU 170 Cb -0.12 -2.93 0.12 0.00 0.50 0.00 0.00 46.19 43.76 2cmr s LEU 170 CO 0.12 -0.66 1.22 -1.10 -1.32 0.00 0.00 176.35 174.61 2cmr s GLN 171 N 2.92 1.57 0.22 1.98 -0.21 -0.19 -4.93 119.66 121.01 2cmr s GLN 171 Ca 0.28 -0.05 0.24 0.00 0.02 0.00 0.00 55.36 55.85 2cmr s GLN 171 Cb -0.14 -1.92 0.92 0.00 1.00 0.00 0.00 33.01 32.87 2cmr s GLN 171 CO 0.16 -1.84 1.71 -1.13 -2.12 0.00 0.00 175.29 172.07 2cmr n SER 172 N -3.45 0.62 0.18 5.90 3.41 -1.26 -1.62 113.62 117.41 2cmr n SER 172 Ca 0.10 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 2cmr n SER 172 Cb 0.61 -0.77 0.54 0.00 -0.26 0.00 0.00 64.21 64.32 2cmr n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2cmr h SER 173 N 0.00 0.00 0.00 4.04 4.64 -2.03 -3.46 113.55 116.74 2cmr h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cmr h SER 173 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2cmr h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2cmr n GLY 174 N 0.19 0.73 3.76 -0.77 0.00 -0.64 -4.96 105.19 103.49 2cmr n GLY 174 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2cmr n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cmr s LEU 175 N 0.00 3.62 0.32 0.99 1.43 -1.26 -4.83 118.68 118.96 2cmr s LEU 175 Ca 0.00 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2cmr s LEU 175 Cb 0.00 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2cmr s LEU 175 CO 0.00 0.03 0.53 -0.31 0.23 0.00 0.00 176.35 176.84 2cmr s TYR 176 N -1.93 3.49 -0.15 0.29 2.02 0.91 -1.03 117.35 120.96 2cmr s TYR 176 Ca 0.31 0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 57.29 2cmr s TYR 176 Cb -0.09 -1.93 0.04 0.00 -0.40 0.00 0.00 41.96 39.59 2cmr s TYR 176 CO 0.22 0.16 0.39 0.45 -1.57 0.00 0.00 175.55 175.20 2cmr s SER 177 N -3.77 -0.43 -0.02 2.29 0.15 -0.68 -0.80 113.70 110.44 2cmr s SER 177 Ca 0.41 0.81 -0.05 0.00 0.70 0.00 0.00 55.95 57.81 2cmr s SER 177 Cb -0.10 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2cmr s SER 177 CO 0.34 -0.15 0.11 -0.22 1.20 0.00 0.00 173.24 174.52 2cmr s LEU 178 N 0.61 1.61 0.17 3.45 0.20 -0.20 -1.02 118.68 123.50 2cmr s LEU 178 Ca -0.03 0.01 0.09 0.00 0.69 0.00 0.00 54.13 54.88 2cmr s LEU 178 Cb -0.05 0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 46.15 2cmr s LEU 178 CO -0.04 -0.19 -0.12 -0.94 -0.29 0.00 0.00 176.35 174.77 2cmr s SER 179 N -0.62 4.11 -0.05 3.68 1.04 -1.26 -0.13 113.70 120.46 2cmr s SER 179 Ca -0.07 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 2cmr s SER 179 Cb -0.04 -0.64 0.04 0.00 0.10 0.00 0.00 66.02 65.47 2cmr s SER 179 CO 0.01 0.12 0.11 -0.55 0.98 0.00 0.00 173.24 173.90 2cmr s SER 180 N -2.69 0.07 0.14 7.02 0.15 -0.64 -1.82 113.70 115.93 2cmr s SER 180 Ca 0.23 0.22 0.07 0.00 0.70 0.00 0.00 55.95 57.17 2cmr s SER 180 Cb -0.09 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2cmr s SER 180 CO 0.14 -0.16 -0.16 0.68 1.20 0.00 0.00 173.24 174.94 2cmr s VAL 181 N 1.29 1.56 0.12 4.45 -7.23 -0.69 -0.45 120.40 119.45 2cmr s VAL 181 Ca -0.07 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 2cmr s VAL 181 Cb -0.12 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2cmr s VAL 181 CO -0.05 -0.36 -0.19 0.68 -0.31 0.00 0.00 175.10 174.86 2cmr s VAL 182 N -2.08 1.71 -0.17 1.32 -7.23 0.12 -1.59 120.40 112.48 2cmr s VAL 182 Ca 0.12 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2cmr s VAL 182 Cb -0.05 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 2cmr s VAL 182 CO 0.05 -0.17 -0.10 0.42 -0.31 0.00 0.00 175.10 174.99 2cmr s THR 183 N -1.50 3.07 0.04 5.32 -4.23 -0.91 -2.31 115.64 115.11 2cmr s THR 183 Ca 0.09 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 2cmr s THR 183 Cb -0.08 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 2cmr s THR 183 CO 0.05 0.49 -0.10 0.68 -0.54 0.00 0.00 174.62 175.20 2cmr s VAL 184 N 0.89 0.73 0.08 2.29 -7.23 -0.43 -4.66 120.40 112.08 2cmr s VAL 184 Ca -0.03 -0.97 -0.34 0.00 -1.81 0.00 0.00 61.98 58.84 2cmr s VAL 184 Cb -0.15 -0.73 -0.13 0.00 0.56 0.00 0.00 36.38 35.93 2cmr s VAL 184 CO -0.00 -0.20 1.66 -2.65 -0.31 0.00 0.00 175.10 173.60 2cmr n PRO 185 N 1.75 2.13 0.28 4.82 -0.02 -1.26 -2.06 135.00 140.64 2cmr n PRO 185 Ca -0.20 0.77 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2cmr n PRO 185 Cb 0.55 -2.56 0.82 0.00 -0.02 0.00 0.00 33.50 32.29 2cmr n PRO 185 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2cmr h SER 186 N 6.86 0.00 -0.80 2.55 4.64 -1.87 -3.45 113.55 121.48 2cmr h SER 186 Ca -0.46 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.65 2cmr h SER 186 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2cmr h SER 186 CO 0.90 0.01 0.61 -0.94 -0.87 0.00 0.00 176.83 176.54 2cmr s SER 187 N -6.44 4.54 0.00 4.97 1.04 -1.26 -5.03 113.70 111.52 2cmr s SER 187 Ca -0.05 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2cmr s SER 187 Cb 0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2cmr s SER 187 CO 0.59 -3.21 0.00 0.41 0.98 0.00 0.00 173.24 172.01 2cmr n THR 191 N 8.21 0.00 -2.23 2.02 -1.04 -1.26 -5.27 114.28 114.71 2cmr n THR 191 Ca 0.40 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.00 2cmr n THR 191 Cb 0.47 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 2cmr n THR 191 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2cmr s GLN 192 N 0.00 4.40 0.42 -2.82 1.11 -1.26 -5.03 119.66 116.49 2cmr s GLN 192 Ca 0.00 2.04 -0.13 0.00 0.01 0.00 0.00 55.36 57.28 2cmr s GLN 192 Cb 0.00 -3.19 -0.07 0.00 -1.01 0.00 0.00 33.01 28.73 2cmr s GLN 192 CO 0.00 -0.23 0.82 0.99 0.01 0.00 0.00 175.29 176.88 2cmr s THR 193 N 0.03 4.70 -0.14 -0.19 2.01 -1.26 -5.08 115.64 115.71 2cmr s THR 193 Ca 0.56 0.83 -0.04 0.00 0.31 0.00 0.00 61.69 63.35 2cmr s THR 193 Cb -0.36 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.49 2cmr s THR 193 CO 0.39 -0.52 0.08 -0.31 -0.69 0.00 0.00 174.62 173.57 2cmr s TYR 194 N -2.38 0.22 -0.08 4.92 2.02 -1.26 -5.01 117.35 115.77 2cmr s TYR 194 Ca 0.54 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 57.04 2cmr s TYR 194 Cb -0.10 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.80 2cmr s TYR 194 CO 0.29 -0.45 -0.18 0.42 -1.57 0.00 0.00 175.55 174.06 2cmr s ILE 195 N 2.13 1.58 0.07 2.71 1.01 -1.26 -1.55 121.20 125.88 2cmr s ILE 195 Ca 0.02 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 2cmr s ILE 195 Cb -0.15 -1.40 -0.06 0.00 0.01 0.00 0.00 42.46 40.86 2cmr s ILE 195 CO -0.08 0.45 0.47 0.00 0.00 0.00 0.00 174.94 175.78 2cmr s ASN 197 N -1.41 4.05 -0.26 0.00 -0.87 0.33 -1.97 114.94 114.81 2cmr s ASN 197 Ca 0.30 -0.55 -0.02 0.00 -1.57 0.00 0.00 52.86 51.02 2cmr s ASN 197 Cb -0.16 -1.67 0.03 0.00 -0.02 0.00 0.00 41.25 39.43 2cmr s ASN 197 CO 0.17 -0.04 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.92 2cmr s VAL 198 N 1.41 2.91 -0.21 1.60 1.01 -0.02 -0.86 120.40 126.24 2cmr s VAL 198 Ca 0.04 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 2cmr s VAL 198 Cb -0.14 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2cmr s VAL 198 CO -0.06 0.12 0.11 0.21 0.00 0.00 0.00 175.10 175.49 2cmr s ASN 199 N 1.31 5.90 -0.35 3.32 3.04 0.29 -2.41 114.94 126.03 2cmr s ASN 199 Ca -0.01 0.11 0.02 0.00 0.04 0.00 0.00 52.86 53.02 2cmr s ASN 199 Cb -0.17 -2.04 0.11 0.00 -1.54 0.00 0.00 41.25 37.60 2cmr s ASN 199 CO -0.04 0.13 0.10 -2.28 -3.04 0.00 0.00 177.10 171.98 2cmr s HIS 200 N 0.67 2.75 0.13 0.43 5.65 -0.85 -0.11 115.29 123.96 2cmr s HIS 200 Ca 0.06 -2.48 -0.14 0.00 0.25 0.00 0.00 55.06 52.75 2cmr s HIS 200 Cb -0.13 -2.35 -0.02 0.00 -1.18 0.00 0.00 32.58 28.91 2cmr s HIS 200 CO 0.01 -0.89 1.57 -0.22 -0.65 0.00 0.00 174.74 174.57 2cmr h LYS 201 N 7.62 0.73 -0.75 2.88 3.11 -1.84 -2.34 116.57 125.97 2cmr h LYS 201 Ca -0.08 -0.24 0.19 0.00 -2.81 0.00 0.00 60.65 57.71 2cmr h LYS 201 Cb 1.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 32.12 2cmr h LYS 201 CO 0.51 0.81 0.52 -1.35 -2.81 0.00 0.00 179.45 177.14 2cmr h PRO 202 N 0.56 0.20 0.00 1.90 0.11 -1.92 -1.95 132.00 130.90 2cmr h PRO 202 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2cmr h PRO 202 Cb 0.49 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2cmr h PRO 202 CO 0.02 0.13 -1.24 -1.13 -0.21 0.00 0.00 178.00 175.57 2cmr n SER 203 N -4.41 0.75 -1.73 -2.05 3.41 -1.17 -4.98 113.62 103.44 2cmr n SER 203 Ca 0.15 -0.75 -0.12 0.00 -0.26 0.00 0.00 58.87 57.90 2cmr n SER 203 Cb 0.68 1.24 0.02 0.00 -0.26 0.00 0.00 64.21 65.89 2cmr n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2cmr n ASN 204 N -1.69 -3.94 -4.38 4.04 5.15 -0.73 -4.92 115.26 108.78 2cmr n ASN 204 Ca 0.02 -0.17 -0.33 0.00 -0.60 0.00 0.00 54.58 53.50 2cmr n ASN 204 Cb 0.39 -2.78 -0.14 0.00 -0.53 0.00 0.00 39.78 36.72 2cmr n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2cmr s THR 205 N -2.91 3.29 -0.16 -0.44 2.01 -1.07 -5.04 115.64 111.32 2cmr s THR 205 Ca 0.18 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2cmr s THR 205 Cb -0.08 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.03 2cmr s THR 205 CO 0.22 0.50 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.93 2cmr s LYS 206 N 0.60 2.71 -0.02 4.92 1.02 -1.26 -2.02 119.74 125.68 2cmr s LYS 206 Ca -0.06 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.25 2cmr s LYS 206 Cb -0.15 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2cmr s LYS 206 CO 0.03 -0.17 -0.15 0.08 -0.92 0.00 0.00 175.35 174.22 2cmr s VAL 207 N 1.24 1.23 -0.19 3.17 1.01 -1.01 -5.01 120.40 120.83 2cmr s VAL 207 Ca 0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 2cmr s VAL 207 Cb -0.14 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.26 2cmr s VAL 207 CO -0.09 0.35 -0.05 -1.81 0.00 0.00 0.00 175.10 173.50 2cmr s ASP 208 N -0.19 3.16 -0.22 3.32 1.01 -1.26 -0.84 116.67 121.65 2cmr s ASP 208 Ca 0.02 -0.83 -0.06 0.00 0.71 0.00 0.00 52.55 52.39 2cmr s ASP 208 Cb -0.08 -0.98 -0.03 0.00 1.01 0.00 0.00 42.92 42.85 2cmr s ASP 208 CO 0.00 -0.21 0.03 -0.75 0.21 0.00 0.00 175.17 174.45 2cmr s LYS 209 N 1.57 3.64 0.48 8.23 2.47 -0.83 -4.95 119.74 130.36 2cmr s LYS 209 Ca -0.01 -0.50 -0.22 0.00 -1.56 0.00 0.00 55.97 53.68 2cmr s LYS 209 Cb -0.16 -3.18 -0.07 0.00 -1.46 0.00 0.00 37.83 32.96 2cmr s LYS 209 CO -0.07 -0.06 1.16 0.50 0.16 0.00 0.00 175.35 177.03 2cmr s ARG 210 N 1.23 3.66 0.00 4.03 3.52 -1.26 -2.29 118.95 127.83 2cmr s ARG 210 Ca 0.04 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 2cmr s ARG 210 Cb -0.15 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 2cmr s ARG 210 CO 0.02 -0.63 0.34 0.28 -0.81 0.00 0.00 175.30 174.50