#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e s LYS 2 N 0.00 4.04 0.16 0.03 2.20 -1.26 -5.08 119.74 119.82 2k2e s LYS 2 Ca 0.00 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 2k2e s LYS 2 Cb 0.00 -3.28 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 2k2e s LYS 2 CO 0.00 0.27 1.24 -0.51 -0.36 0.00 0.00 175.35 175.99 2k2e s LEU 3 N 0.40 4.42 0.08 5.43 1.43 -1.26 -4.93 118.68 124.25 2k2e s LEU 3 Ca 0.05 2.24 -0.21 0.00 -1.03 0.00 0.00 54.13 55.17 2k2e s LEU 3 Cb -0.12 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2k2e s LEU 3 CO -0.00 -0.46 1.63 -0.74 0.23 0.00 0.00 176.35 177.01 2k2e h HIS 4 N 5.75 0.21 -1.81 0.29 -0.00 -2.08 -3.42 115.15 114.08 2k2e h HIS 4 Ca -0.44 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 59.90 2k2e h HIS 4 Cb 1.21 -0.06 -0.25 0.00 -0.00 0.00 0.00 27.41 28.31 2k2e h HIS 4 CO 0.63 0.28 -0.32 0.99 -0.00 0.00 0.00 177.93 179.52 2k2e s THR 5 N -5.60 -0.81 -0.05 6.26 2.01 -1.26 -5.14 115.64 111.04 2k2e s THR 5 Ca -0.14 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 2k2e s THR 5 Cb 0.07 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2k2e s THR 5 CO 0.69 -0.01 1.08 1.51 -0.69 0.00 0.00 174.62 177.20 2k2e s ASP 6 N 2.73 7.19 0.76 3.53 -4.77 -1.26 -5.04 116.67 119.80 2k2e s ASP 6 Ca 0.08 1.70 -0.03 0.00 -3.30 0.00 0.00 52.55 51.00 2k2e s ASP 6 Cb -0.14 -2.56 0.15 0.00 -1.09 0.00 0.00 42.92 39.28 2k2e s ASP 6 CO -0.17 -0.45 0.97 -0.81 0.70 0.00 0.00 175.17 175.40 2k2e n PRO 7 N 4.71 -0.24 -3.29 2.11 -0.04 -1.26 -5.08 135.00 131.91 2k2e n PRO 7 Ca 0.09 -2.39 -0.38 0.00 -0.04 0.00 0.00 63.50 60.77 2k2e n PRO 7 Cb 0.48 -0.72 -0.06 0.00 -0.04 0.00 0.00 33.50 33.17 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e s ALA 8 N -3.28 3.50 -0.01 0.55 0.00 -1.26 -5.05 121.76 116.21 2k2e s ALA 8 Ca 0.62 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 2k2e s ALA 8 Cb -0.03 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2k2e s ALA 8 CO 0.42 0.12 1.13 0.99 0.00 0.00 0.00 175.76 178.41 2k2e s THR 9 N 0.11 4.38 -0.91 0.00 2.01 -1.26 -4.91 115.64 115.06 2k2e s THR 9 Ca 0.28 1.70 0.16 0.00 0.31 0.00 0.00 61.69 64.14 2k2e s THR 9 Cb -0.17 -4.09 0.14 0.00 0.01 0.00 0.00 72.50 68.40 2k2e s THR 9 CO 0.13 0.08 1.51 0.00 -0.69 0.00 0.00 174.62 175.65 2k2e n ALA 10 N 4.43 1.67 -3.28 7.40 0.00 -1.26 -3.59 120.51 125.88 2k2e n ALA 10 Ca 0.09 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 2k2e n ALA 10 Cb 0.48 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2k2e n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k2e n LEU 11 N -1.63 4.97 -4.59 0.00 4.77 -1.26 -4.23 117.00 115.04 2k2e n LEU 11 Ca 0.03 -5.30 -0.41 0.00 -0.03 0.00 0.00 56.01 50.30 2k2e n LEU 11 Cb 0.18 -0.99 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 2k2e n LEU 11 CO 0.15 1.83 1.72 0.21 -1.33 0.00 0.00 177.39 179.97 2k2e s ASN 12 N -1.84 5.45 0.07 -1.43 2.47 -1.24 -4.95 114.94 113.47 2k2e s ASN 12 Ca 0.34 1.32 0.05 0.00 0.42 0.00 0.00 52.86 54.99 2k2e s ASN 12 Cb 0.07 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.33 2k2e s ASN 12 CO 0.02 -2.06 -0.13 -0.89 -3.72 0.00 0.00 177.10 170.32 2k2e s THR 13 N 8.44 1.05 0.09 -5.21 2.01 -1.26 -4.55 115.64 116.21 2k2e s THR 13 Ca 0.87 -1.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 2k2e s THR 13 Cb -0.24 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.17 2k2e s THR 13 CO 0.31 -0.25 1.30 -0.69 -0.69 0.00 0.00 174.62 174.60 2k2e s VAL 14 N -1.32 3.66 -0.00 3.82 1.01 -1.26 -4.70 120.40 121.62 2k2e s VAL 14 Ca -0.03 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.17 2k2e s VAL 14 Cb -0.10 -3.76 -0.25 0.00 0.00 0.00 0.00 36.38 32.27 2k2e s VAL 14 CO 0.02 0.09 0.83 0.71 0.00 0.00 0.00 175.10 176.75 2k2e h THR 15 N 4.40 1.11 -2.62 3.92 1.35 -1.90 -3.45 112.91 115.73 2k2e h THR 15 Ca -0.42 -2.83 -0.30 0.00 -0.55 0.00 0.00 66.41 62.31 2k2e h THR 15 Cb 1.21 2.66 -0.35 0.00 -1.73 0.00 0.00 68.15 69.94 2k2e h THR 15 CO 0.84 0.76 -0.61 0.00 -0.25 0.00 0.00 175.52 176.26 2k2e s ALA 16 N -2.62 -0.31 0.17 6.62 0.00 -0.33 -5.03 121.76 120.26 2k2e s ALA 16 Ca -0.07 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 2k2e s ALA 16 Cb 0.08 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 22.00 2k2e s ALA 16 CO 0.83 -1.07 1.49 -0.92 0.00 0.00 0.00 175.76 176.10 2k2e h TYR 17 N 8.31 0.93 -0.89 0.00 3.20 -1.85 0.20 116.97 126.87 2k2e h TYR 17 Ca -0.16 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.41 2k2e h TYR 17 Cb 1.14 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2k2e h TYR 17 CO 0.20 1.08 0.00 0.41 -1.64 0.00 0.00 178.16 178.21 2k2e n GLY 18 N 0.18 -0.41 0.13 1.82 0.00 -1.24 -3.77 105.19 101.89 2k2e n GLY 18 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2k2e n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2e n ASP 19 N -1.84 0.00 -1.71 1.61 8.00 -1.26 -4.79 116.55 116.56 2k2e n ASP 19 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2k2e n ASP 19 Cb 0.00 -0.19 0.16 0.00 -0.02 0.00 0.00 41.12 41.07 2k2e n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k2e n GLY 20 N 2.42 5.02 3.58 0.44 0.00 -1.26 -4.18 105.19 111.22 2k2e n GLY 20 Ca 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 2k2e n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2e s TYR 21 N -3.37 -1.27 -0.41 1.61 1.13 -1.26 -4.69 117.35 109.09 2k2e s TYR 21 Ca 0.51 2.13 -0.15 0.00 -1.41 0.00 0.00 57.07 58.16 2k2e s TYR 21 Cb 0.44 0.73 0.02 0.00 -1.10 0.00 0.00 41.96 42.06 2k2e s TYR 21 CO 0.03 -0.64 0.29 0.42 -2.51 0.00 0.00 175.55 173.15 2k2e s ILE 22 N 2.84 5.20 -0.38 -3.49 1.01 0.73 -3.69 121.20 123.42 2k2e s ILE 22 Ca -0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 2k2e s ILE 22 Cb -0.11 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2k2e s ILE 22 CO -0.19 -0.30 0.36 -0.70 0.00 0.00 0.00 174.94 174.11 2k2e s GLU 23 N 1.67 3.29 -0.32 2.79 2.12 0.70 -0.01 118.70 128.94 2k2e s GLU 23 Ca 0.05 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.67 2k2e s GLU 23 Cb -0.19 -3.89 0.05 0.00 0.26 0.00 0.00 34.13 30.36 2k2e s GLU 23 CO 0.10 -0.66 0.04 0.08 -0.54 0.00 0.00 175.26 174.27 2k2e s VAL 24 N 1.95 3.24 -1.11 3.70 1.01 0.28 -1.18 120.40 128.29 2k2e s VAL 24 Ca 0.10 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 2k2e s VAL 24 Cb -0.17 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2k2e s VAL 24 CO 0.12 -0.15 0.96 0.59 0.00 0.00 0.00 175.10 176.62 2k2e n ASN 25 N 4.68 -4.43 -0.16 3.32 3.02 -1.26 -1.96 115.26 118.47 2k2e n ASN 25 Ca -0.13 -0.48 -0.02 0.00 -0.03 0.00 0.00 54.58 53.92 2k2e n ASN 25 Cb 0.44 -4.39 -0.01 0.00 -0.61 0.00 0.00 39.78 35.20 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2e n GLN 26 N -4.10 -0.90 -3.68 3.52 6.02 -1.26 -4.98 117.38 112.00 2k2e n GLN 26 Ca -0.08 0.36 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 2k2e n GLN 26 Cb 0.58 -4.12 -0.12 0.00 1.02 0.00 0.00 30.24 27.61 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2k2e s VAL 27 N -1.70 4.33 -0.39 5.09 1.01 -0.83 -5.07 120.40 122.85 2k2e s VAL 27 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2k2e s VAL 27 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2k2e s VAL 27 CO 0.00 -0.05 0.66 -0.60 0.00 0.00 0.00 175.10 175.11 2k2e s ARG 28 N 1.54 3.54 -0.31 2.72 3.52 -1.26 -0.55 118.95 128.14 2k2e s ARG 28 Ca 0.02 -0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 55.42 2k2e s ARG 28 Cb -0.18 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 2k2e s ARG 28 CO 0.05 -0.86 0.28 -0.06 -0.81 0.00 0.00 175.30 173.90 2k2e s PHE 29 N 2.82 3.22 -1.92 5.12 0.08 0.98 -4.91 117.98 123.37 2k2e s PHE 29 Ca 0.25 0.05 0.16 0.00 0.12 0.00 0.00 56.93 57.50 2k2e s PHE 29 Cb -0.14 -2.52 0.47 0.00 -0.57 0.00 0.00 43.02 40.26 2k2e s PHE 29 CO 0.17 -0.30 1.38 0.43 -0.10 0.00 0.00 175.22 176.80 2k2e n SER 30 N 5.21 2.86 -2.95 1.36 7.64 -1.26 -0.20 113.62 126.28 2k2e n SER 30 Ca -0.11 -2.03 -0.14 0.00 1.01 0.00 0.00 58.87 57.59 2k2e n SER 30 Cb 0.50 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2k2e n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k2e n HIS 31 N 0.99 -1.39 -1.79 1.43 1.44 -1.26 -4.81 115.22 109.83 2k2e n HIS 31 Ca 0.17 -2.31 -0.38 0.00 -2.01 0.00 0.00 57.72 53.19 2k2e n HIS 31 Cb 0.46 0.52 0.04 0.00 0.12 0.00 0.00 29.99 31.14 2k2e n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k2e s ALA 32 N -2.77 2.83 -0.00 1.59 0.00 -1.24 -4.70 121.76 117.46 2k2e s ALA 32 Ca 0.29 1.33 -0.06 0.00 0.00 0.00 0.00 51.96 53.52 2k2e s ALA 32 Cb -0.01 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2k2e s ALA 32 CO 0.21 -1.37 0.12 0.96 0.00 0.00 0.00 175.76 175.68 2k2e s ILE 33 N -1.30 0.07 -0.06 0.00 -4.36 -1.02 -0.80 121.20 113.73 2k2e s ILE 33 Ca 0.71 -0.61 0.03 0.00 -0.26 0.00 0.00 60.65 60.52 2k2e s ILE 33 Cb -0.40 -0.39 0.01 0.00 1.25 0.00 0.00 42.46 42.93 2k2e s ILE 33 CO 0.48 -0.33 -0.13 0.00 0.24 0.00 0.00 174.94 175.19 2k2e s ALA 34 N -1.18 1.30 0.10 2.27 0.00 -0.09 -0.97 121.76 123.20 2k2e s ALA 34 Ca -0.13 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 2k2e s ALA 34 Cb -0.07 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.55 2k2e s ALA 34 CO 0.01 0.15 0.45 -0.59 0.00 0.00 0.00 175.76 175.78 2k2e s PHE 35 N 0.53 -0.30 0.17 0.00 -0.71 -0.60 -0.15 117.98 116.93 2k2e s PHE 35 Ca -0.12 0.12 0.04 0.00 -1.04 0.00 0.00 56.93 55.92 2k2e s PHE 35 Cb -0.15 0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 41.93 2k2e s PHE 35 CO 0.03 -0.69 -0.07 0.00 -1.34 0.00 0.00 175.22 173.15 2k2e s ALA 36 N -3.34 1.56 0.19 1.99 0.00 -1.26 -1.82 121.76 119.08 2k2e s ALA 36 Ca -0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.26 2k2e s ALA 36 Cb 0.01 0.20 0.20 0.00 0.00 0.00 0.00 23.12 23.53 2k2e s ALA 36 CO -0.09 -0.15 1.75 -1.35 0.00 0.00 0.00 175.76 175.92 2k2e h PRO 37 N 2.68 0.36 -4.16 0.00 0.11 -1.80 -3.30 132.00 125.90 2k2e h PRO 37 Ca -0.37 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.06 2k2e h PRO 37 Cb 1.20 -0.08 -0.39 0.00 0.11 0.00 0.00 31.00 31.84 2k2e h PRO 37 CO 0.64 0.24 -0.63 -2.00 -0.21 0.00 0.00 178.00 176.03 2k2e s GLU 38 N -6.12 1.81 0.00 1.05 2.12 -1.26 -3.81 118.70 112.49 2k2e s GLU 38 Ca -0.13 -2.16 0.00 0.00 0.36 0.00 0.00 54.97 53.04 2k2e s GLU 38 Cb 0.15 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2k2e s GLU 38 CO 0.73 -1.03 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 2k2e n GLY 39 N 3.88 -0.72 3.77 -1.50 0.00 -1.24 -5.09 105.19 104.29 2k2e n GLY 39 Ca 0.04 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 2k2e n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2e s PRO 40 N -2.00 4.52 -0.66 1.61 0.04 -1.26 -4.62 135.00 132.63 2k2e s PRO 40 Ca 0.00 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 2k2e s PRO 40 Cb 0.00 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.29 2k2e s PRO 40 CO 0.00 0.52 1.23 0.08 0.04 0.00 0.00 177.00 178.87 2k2e s VAL 41 N -0.94 3.88 -0.26 -0.36 1.01 -1.26 -4.41 120.40 118.06 2k2e s VAL 41 Ca 0.36 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 2k2e s VAL 41 Cb -0.22 -4.82 -0.05 0.00 0.00 0.00 0.00 36.38 31.29 2k2e s VAL 41 CO 0.25 -1.59 0.18 0.00 0.00 0.00 0.00 175.10 173.93 2k2e s ALA 42 N 5.31 3.55 -0.04 5.51 0.00 0.79 -4.96 121.76 131.92 2k2e s ALA 42 Ca 0.38 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 2k2e s ALA 42 Cb -0.08 -2.41 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 2k2e s ALA 42 CO 0.20 -0.42 1.64 -1.54 0.00 0.00 0.00 175.76 175.64 2k2e s SER 43 N 1.50 6.67 -0.21 0.00 1.04 -1.26 -0.91 113.70 120.53 2k2e s SER 43 Ca 0.07 2.25 -0.12 0.00 0.48 0.00 0.00 55.95 58.63 2k2e s SER 43 Cb -0.15 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 2k2e s SER 43 CO 0.08 -0.91 0.24 0.86 0.98 0.00 0.00 173.24 174.49 2k2e s TRP 44 N 3.82 3.38 -2.00 5.02 -0.00 0.02 -4.94 118.94 124.24 2k2e s TRP 44 Ca 0.73 0.42 0.10 0.00 -0.00 0.00 0.00 56.10 57.34 2k2e s TRP 44 Cb -0.34 -2.32 0.58 0.00 -0.00 0.00 0.00 33.47 31.39 2k2e s TRP 44 CO 0.30 0.13 1.03 -2.30 -0.00 0.00 0.00 176.95 176.10 2k2e n PRO 45 N 4.02 0.50 -3.06 5.86 -0.02 -1.26 -4.15 135.00 136.89 2k2e n PRO 45 Ca -0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.96 2k2e n PRO 45 Cb 0.52 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k2e s VAL 46 N -2.00 4.78 -0.17 -1.45 1.01 -1.26 -4.95 120.40 116.35 2k2e s VAL 46 Ca 0.15 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 63.62 2k2e s VAL 46 Cb 0.07 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 2k2e s VAL 46 CO 0.11 0.39 -0.16 1.67 0.00 0.00 0.00 175.10 177.11 2k2e n GLN 47 N 2.72 0.41 -4.25 2.72 -0.06 -1.26 -3.65 117.38 114.00 2k2e n GLN 47 Ca -0.04 0.11 -0.17 0.00 -2.00 0.00 0.00 57.00 54.89 2k2e n GLN 47 Cb 0.50 -1.30 -0.11 0.00 -4.06 0.00 0.00 30.24 25.27 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2k2e s ARG 48 N -2.33 1.06 0.00 3.69 0.52 -1.26 -4.88 118.95 115.75 2k2e s ARG 48 Ca -0.23 -1.31 0.06 0.00 -0.52 0.00 0.00 55.73 53.73 2k2e s ARG 48 Cb 0.06 -0.87 0.34 0.00 0.52 0.00 0.00 34.95 35.00 2k2e s ARG 48 CO 0.37 0.16 0.81 -2.30 0.02 0.00 0.00 175.30 174.36 2k2e n PRO 49 N 0.32 0.18 0.07 3.54 -0.02 -1.26 -1.31 135.00 136.52 2k2e n PRO 49 Ca -0.14 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.46 2k2e n PRO 49 Cb 0.58 -1.49 0.06 0.00 -0.02 0.00 0.00 33.50 32.62 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 50 N -0.99 2.84 0.45 3.55 0.00 -1.26 -4.05 120.51 121.04 2k2e n ALA 50 Ca 0.04 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.32 2k2e n ALA 50 Cb 0.02 -1.09 0.14 0.00 0.00 0.00 0.00 19.45 18.52 2k2e n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k2e h ASP 51 N 0.00 0.00 -2.20 0.00 3.32 -1.62 -3.46 116.42 112.45 2k2e h ASP 51 Ca 0.00 -0.15 -0.56 0.00 0.02 0.00 0.00 57.03 56.34 2k2e h ASP 51 Cb 0.86 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.42 2k2e h ASP 51 CO 0.00 0.08 1.36 -0.63 -1.72 0.00 0.00 179.24 178.32 2k2e s ILE 52 N -3.21 3.05 0.41 0.35 1.01 -1.26 -4.97 121.20 116.58 2k2e s ILE 52 Ca 0.05 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.79 2k2e s ILE 52 Cb 0.12 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 2k2e s ILE 52 CO 0.73 -0.02 0.05 0.42 0.00 0.00 0.00 174.94 176.12 2k2e s THR 53 N 6.43 1.29 0.22 2.92 -4.23 -1.26 -5.04 115.64 115.97 2k2e s THR 53 Ca 0.94 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.36 2k2e s THR 53 Cb -0.37 -2.61 0.17 0.00 1.34 0.00 0.00 72.50 71.04 2k2e s THR 53 CO 0.38 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.33 2k2e h ALA 54 N 1.77 1.02 -0.74 3.99 0.00 -1.93 -1.44 119.26 121.94 2k2e h ALA 54 Ca -0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2k2e h ALA 54 Cb 1.27 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2k2e h ALA 54 CO 0.71 0.37 0.44 0.77 0.00 0.00 0.00 179.25 181.54 2k2e h SER 55 N 1.03 0.89 0.64 0.00 0.02 -1.97 -2.24 113.55 111.93 2k2e h SER 55 Ca 0.30 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 2k2e h SER 55 Cb -0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2k2e h SER 55 CO -0.09 0.69 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.72 2k2e h LEU 56 N 1.01 0.00 -0.63 5.07 3.38 -1.82 -2.54 115.31 119.78 2k2e h LEU 56 Ca 0.26 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 2k2e h LEU 56 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2k2e h LEU 56 CO -0.05 0.51 -0.10 -0.07 0.09 0.00 0.00 178.44 178.82 2k2e h LEU 57 N 0.00 0.96 -0.95 1.67 3.38 -0.78 0.65 115.31 120.25 2k2e h LEU 57 Ca -0.01 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2k2e h LEU 57 Cb 0.97 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2k2e h LEU 57 CO 0.07 1.08 0.18 1.56 0.09 0.00 0.00 178.44 181.41 2k2e h GLN 58 N 0.86 0.94 -0.25 1.13 4.20 -1.08 0.18 115.11 121.10 2k2e h GLN 58 Ca 0.14 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2k2e h GLN 58 Cb 0.65 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2k2e h GLN 58 CO 0.05 0.82 -0.12 1.96 -0.67 0.00 0.00 178.83 180.87 2k2e h GLN 59 N 0.91 0.52 0.00 1.46 4.20 -1.18 -2.89 115.11 118.13 2k2e h GLN 59 Ca 0.20 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2k2e h GLN 59 Cb 0.28 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2k2e h GLN 59 CO -0.01 0.78 -0.20 0.00 -0.67 0.00 0.00 178.83 178.73 2k2e h ALA 60 N 0.73 1.30 0.00 3.87 0.00 -0.53 -1.24 119.26 123.39 2k2e h ALA 60 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k2e h ALA 60 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k2e h ALA 60 CO 0.04 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.53 2k2e n ALA 61 N -2.33 2.14 -1.73 0.00 0.00 0.02 -4.65 120.51 113.96 2k2e n ALA 61 Ca -0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 2k2e n ALA 61 Cb 0.30 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 2k2e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 62 N 0.98 0.87 0.06 0.00 0.00 -0.47 -4.76 105.19 101.87 2k2e n GLY 62 Ca 0.07 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 2k2e n GLY 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k2e h LEU 63 N 0.00 0.06 -7.76 0.99 5.85 -1.73 -3.33 115.31 109.39 2k2e h LEU 63 Ca -0.31 -0.17 -0.73 0.00 0.84 0.00 0.00 57.88 57.51 2k2e h LEU 63 Cb 1.05 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.90 2k2e h LEU 63 CO 0.42 0.21 1.35 0.00 -0.34 0.00 0.00 178.44 180.08 2k2e s ALA 64 N -5.53 3.88 -0.06 1.25 0.00 -1.26 -4.77 121.76 115.28 2k2e s ALA 64 Ca -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 51.96 48.53 2k2e s ALA 64 Cb 0.05 -4.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.00 2k2e s ALA 64 CO 0.67 -2.83 0.14 1.49 0.00 0.00 0.00 175.76 175.23 2k2e h GLU 65 N 7.39 -0.09 -5.36 0.00 4.81 -1.98 -3.41 114.58 115.94 2k2e h GLU 65 Ca 0.31 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.89 2k2e h GLU 65 Cb 0.89 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.14 2k2e h GLU 65 CO 1.24 -0.06 0.73 0.08 -0.73 0.00 0.00 179.01 180.27 2k2e s VAL 66 N -1.76 4.43 -0.56 0.32 1.01 -1.26 -4.99 120.40 117.59 2k2e s VAL 66 Ca -0.01 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 2k2e s VAL 66 Cb 0.00 -4.75 0.05 0.00 0.00 0.00 0.00 36.38 31.67 2k2e s VAL 66 CO 0.04 -1.52 0.91 -0.69 0.00 0.00 0.00 175.10 173.84 2k2e s VAL 67 N 3.67 4.43 -0.16 2.92 1.01 -1.26 -5.02 120.40 125.98 2k2e s VAL 67 Ca 0.28 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 2k2e s VAL 67 Cb -0.11 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 2k2e s VAL 67 CO 0.01 -1.12 0.02 -0.13 0.00 0.00 0.00 175.10 173.88 2k2e s ARG 68 N 3.83 3.76 0.65 2.72 0.52 -1.26 -5.11 118.95 124.06 2k2e s ARG 68 Ca 0.28 -0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 54.95 2k2e s ARG 68 Cb -0.14 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 2k2e s ARG 68 CO 0.18 0.32 1.05 -0.51 0.02 0.00 0.00 175.30 176.35 2k2e s ASP 69 N 0.21 5.63 -1.04 0.23 1.01 -1.26 -4.92 116.67 116.54 2k2e s ASP 69 Ca 0.01 1.64 -0.21 0.00 0.71 0.00 0.00 52.55 54.70 2k2e s ASP 69 Cb -0.13 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 2k2e s ASP 69 CO 0.01 -1.27 1.93 -2.65 0.21 0.00 0.00 175.17 173.41 2k2e n PRO 70 N -2.75 1.83 0.04 8.23 -0.02 -1.26 -4.58 135.00 136.49 2k2e n PRO 70 Ca 0.08 -2.29 -0.20 0.00 -2.02 0.00 0.00 63.50 59.07 2k2e n PRO 70 Cb 0.53 -3.31 -0.12 0.00 -0.02 0.00 0.00 33.50 30.58 2k2e n PRO 70 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2e h LEU 71 N 14.83 0.69 -6.93 2.45 -0.00 -2.05 -3.36 115.31 120.94 2k2e h LEU 71 Ca 0.36 -0.80 -0.71 0.00 -0.00 0.00 0.00 57.88 56.72 2k2e h LEU 71 Cb 0.79 -0.21 -0.35 0.00 -0.00 0.00 0.00 40.66 40.89 2k2e h LEU 71 CO 1.63 1.42 0.07 0.00 -0.00 0.00 0.00 178.44 181.56 2k2e n ALA 72 N -2.64 4.30 -2.17 1.53 0.00 -1.26 -5.06 120.51 115.22 2k2e n ALA 72 Ca -0.12 -4.71 -0.27 0.00 0.00 0.00 0.00 53.44 48.34 2k2e n ALA 72 Cb 0.82 -1.73 0.01 0.00 0.00 0.00 0.00 19.45 18.55 2k2e n ALA 72 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2k2e s PHE 73 N -2.07 3.43 0.00 0.00 -0.71 -1.26 -5.10 117.98 112.27 2k2e s PHE 73 Ca 0.32 0.76 0.00 0.00 -1.04 0.00 0.00 56.93 56.97 2k2e s PHE 73 Cb 0.02 -2.51 0.00 0.00 -1.21 0.00 0.00 43.02 39.32 2k2e s PHE 73 CO -0.03 -0.54 0.00 1.28 -1.34 0.00 0.00 175.22 174.60 2k2e n LEU 74 N -2.42 0.00 -0.02 -1.99 4.77 -1.26 -5.02 117.00 111.06 2k2e n LEU 74 Ca 0.03 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.06 2k2e n LEU 74 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 2k2e n LEU 74 CO 0.53 -0.38 -0.73 0.47 -1.33 0.00 0.00 177.39 175.95 2k2e n ASP 75 N -2.28 0.15 -4.77 -1.43 9.92 -1.26 -4.96 116.55 111.93 2k2e n ASP 75 Ca 0.00 0.06 -0.38 0.00 -0.53 0.00 0.00 54.79 53.94 2k2e n ASP 75 Cb 0.00 1.48 -0.05 0.00 -0.64 0.00 0.00 41.12 41.91 2k2e n ASP 75 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2k2e s GLU 76 N -3.23 4.48 0.38 -1.24 8.01 -1.26 -4.94 118.70 120.90 2k2e s GLU 76 Ca -0.07 1.58 0.27 0.00 0.01 0.00 0.00 54.97 56.76 2k2e s GLU 76 Cb 0.11 -2.89 1.00 0.00 -4.31 0.00 0.00 34.13 28.04 2k2e s GLU 76 CO 0.87 0.13 1.80 -1.00 0.01 0.00 0.00 175.26 177.07 2k2e h PRO 77 N 3.26 0.00 -3.96 0.39 0.13 -2.05 -3.39 132.00 126.38 2k2e h PRO 77 Ca -0.47 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.89 2k2e h PRO 77 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2k2e h PRO 77 CO 0.65 0.00 -0.07 -1.21 -0.23 0.00 0.00 178.00 177.13 2k2e s GLU 78 N -3.39 3.26 0.00 0.86 0.41 -1.26 -4.85 118.70 113.73 2k2e s GLU 78 Ca 0.05 -2.09 0.24 0.00 -0.41 0.00 0.00 54.97 52.75 2k2e s GLU 78 Cb 0.09 -4.34 0.64 0.00 -1.78 0.00 0.00 34.13 28.74 2k2e s GLU 78 CO 0.52 -1.30 1.51 0.00 -0.49 0.00 0.00 175.26 175.49 2k2e n ALA 79 N 4.58 2.50 -3.13 5.21 0.00 -1.26 -4.77 120.51 123.64 2k2e n ALA 79 Ca 0.00 -0.64 -0.45 0.00 0.00 0.00 0.00 53.44 52.36 2k2e n ALA 79 Cb 0.43 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 2k2e n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k2e s GLY 80 N -1.77 1.87 -0.17 0.00 0.00 -1.26 -4.86 107.32 101.14 2k2e s GLY 80 Ca 0.34 -2.36 0.13 0.00 0.00 0.00 0.00 44.72 42.84 2k2e s GLY 80 CO 0.30 1.55 1.56 0.00 0.00 0.00 0.00 173.10 176.51 2k2e n ALA 81 N 6.09 3.45 -2.14 3.20 0.00 -1.26 -4.86 120.51 124.99 2k2e n ALA 81 Ca -0.07 -1.55 -0.01 0.00 0.00 0.00 0.00 53.44 51.81 2k2e n ALA 81 Cb 0.43 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2k2e n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 82 N 0.73 0.44 3.56 0.00 0.00 -1.26 -4.97 105.19 103.68 2k2e n GLY 82 Ca 0.23 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 83 N -2.27 2.42 0.02 4.61 0.00 -1.26 -4.96 121.76 120.32 2k2e s ALA 83 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2k2e s ALA 83 Cb -0.00 -4.26 -0.02 0.00 0.00 0.00 0.00 23.12 18.84 2k2e s ALA 83 CO 0.01 -3.58 -0.13 -0.98 0.00 0.00 0.00 175.76 171.08 2k2e s ARG 84 N 6.47 0.97 0.50 0.00 1.70 -1.26 -5.14 118.95 122.19 2k2e s ARG 84 Ca 0.58 -0.63 -0.23 0.00 -0.47 0.00 0.00 55.73 54.98 2k2e s ARG 84 Cb -0.12 -0.95 -0.06 0.00 -0.57 0.00 0.00 34.95 33.25 2k2e s ARG 84 CO 0.20 0.25 1.30 -2.14 -1.08 0.00 0.00 175.30 173.83 2k2e s PRO 85 N -0.80 3.44 0.51 3.89 0.02 -1.26 -4.91 135.00 135.89 2k2e s PRO 85 Ca 0.03 2.09 0.28 0.00 0.02 0.00 0.00 61.00 63.42 2k2e s PRO 85 Cb -0.07 -2.37 1.36 0.00 0.02 0.00 0.00 34.50 33.45 2k2e s PRO 85 CO 0.01 -0.91 2.02 0.00 -0.33 0.00 0.00 177.00 177.79 2k2e h ALA 86 N 1.80 1.19 -0.73 -1.55 0.00 -2.02 -2.27 119.26 115.68 2k2e h ALA 86 Ca -0.50 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 53.97 2k2e h ALA 86 Cb 1.28 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 2k2e h ALA 86 CO 0.59 0.17 0.33 0.27 0.00 0.00 0.00 179.25 180.61 2k2e n ASN 87 N -3.53 3.90 -4.76 0.00 6.94 -1.26 -5.00 115.26 111.55 2k2e n ASN 87 Ca -0.01 -3.47 -0.34 0.00 -0.02 0.00 0.00 54.58 50.74 2k2e n ASN 87 Cb 0.28 -0.75 0.04 0.00 -2.36 0.00 0.00 39.78 36.99 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k2e s ALA 88 N -3.15 2.48 0.13 -2.53 0.00 -0.86 -4.91 121.76 112.92 2k2e s ALA 88 Ca 0.53 0.70 -0.35 0.00 0.00 0.00 0.00 51.96 52.84 2k2e s ALA 88 Cb 0.44 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 20.04 2k2e s ALA 88 CO 0.10 -1.22 1.22 -2.30 0.00 0.00 0.00 175.76 173.55 2k2e n PRO 89 N -2.12 1.06 0.04 0.00 -0.02 -1.26 -4.90 135.00 127.80 2k2e n PRO 89 Ca 0.11 0.38 -0.19 0.00 -2.02 0.00 0.00 63.50 61.78 2k2e n PRO 89 Cb 0.51 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.94 2k2e n PRO 89 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k2e h GLU 90 N 3.79 0.46 -3.62 -0.52 5.08 -0.44 -3.40 114.58 115.92 2k2e h GLU 90 Ca -0.45 -0.57 -0.24 0.00 -1.00 0.00 0.00 59.36 57.09 2k2e h GLU 90 Cb 1.35 0.18 -0.29 0.00 0.50 0.00 0.00 28.75 30.49 2k2e h GLU 90 CO 0.73 1.22 -0.70 0.54 -1.00 0.00 0.00 179.01 179.80 2k2e s VAL 91 N -2.98 -0.01 -0.25 3.13 0.11 -1.06 -0.79 120.40 118.54 2k2e s VAL 91 Ca -0.12 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 2k2e s VAL 91 Cb 0.04 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.82 2k2e s VAL 91 CO 0.86 0.02 0.01 -0.22 -3.33 0.00 0.00 175.10 172.44 2k2e s LEU 92 N 0.29 3.29 -0.27 2.54 2.96 0.15 -2.41 118.68 125.23 2k2e s LEU 92 Ca -0.02 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.28 2k2e s LEU 92 Cb -0.03 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2k2e s LEU 92 CO -0.01 -0.08 0.27 -0.76 -1.32 0.00 0.00 176.35 174.45 2k2e s LEU 93 N 1.50 4.04 -0.22 -0.68 1.43 0.66 -0.03 118.68 125.38 2k2e s LEU 93 Ca 0.05 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2k2e s LEU 93 Cb -0.15 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2k2e s LEU 93 CO -0.00 -0.09 0.02 -0.69 0.23 0.00 0.00 176.35 175.82 2k2e s VAL 94 N 1.77 4.00 -0.37 -1.59 1.01 0.09 -0.22 120.40 125.10 2k2e s VAL 94 Ca 0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 2k2e s VAL 94 Cb -0.16 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2k2e s VAL 94 CO 0.10 0.40 0.26 -0.83 0.00 0.00 0.00 175.10 175.02 2k2e s GLY 95 N 1.28 1.98 -0.03 4.51 0.00 0.29 -0.59 107.32 114.76 2k2e s GLY 95 Ca 0.04 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 2k2e s GLY 95 CO 0.02 0.83 -0.02 -0.91 0.00 0.00 0.00 173.10 173.02 2k2e h THR 96 N 5.57 0.00 0.00 0.90 1.35 -0.86 -2.65 112.91 117.21 2k2e h THR 96 Ca -0.29 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2k2e h THR 96 Cb 1.14 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2k2e h THR 96 CO 0.67 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 2k2e n GLY 97 N 1.85 1.90 0.25 5.82 0.00 -1.26 -4.33 105.19 109.42 2k2e n GLY 97 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2k2e n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k2e h ARG 98 N 0.00 0.73 -1.94 1.61 3.08 -1.92 -3.45 114.38 112.49 2k2e h ARG 98 Ca 0.00 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 2k2e h ARG 98 Cb 0.00 0.01 -0.22 0.00 0.08 0.00 0.00 29.97 29.84 2k2e h ARG 98 CO 0.00 0.99 0.16 -0.98 -1.07 0.00 0.00 179.97 179.07 2k2e s ARG 99 N -4.32 0.77 -0.97 0.04 1.70 -1.26 -5.10 118.95 109.80 2k2e s ARG 99 Ca -0.09 0.97 -0.23 0.00 -0.47 0.00 0.00 55.73 55.91 2k2e s ARG 99 Cb 0.12 0.35 0.06 0.00 -0.57 0.00 0.00 34.95 34.90 2k2e s ARG 99 CO 0.85 -0.10 1.39 -1.14 -1.08 0.00 0.00 175.30 175.21 2k2e s GLN 100 N 0.55 3.53 -0.48 3.89 2.00 -1.26 -4.77 119.66 123.12 2k2e s GLN 100 Ca -0.01 -1.06 -0.19 0.00 -2.00 0.00 0.00 55.36 52.10 2k2e s GLN 100 Cb -0.05 -5.14 0.05 0.00 0.80 0.00 0.00 33.01 28.67 2k2e s GLN 100 CO -0.03 -2.15 0.58 -1.58 -0.50 0.00 0.00 175.29 171.61 2k2e s HIS 101 N 4.84 3.09 0.47 1.67 5.65 -1.26 -5.06 115.29 124.68 2k2e s HIS 101 Ca 0.43 -0.46 -0.21 0.00 0.25 0.00 0.00 55.06 55.07 2k2e s HIS 101 Cb -0.02 -3.37 -0.09 0.00 -1.18 0.00 0.00 32.58 27.93 2k2e s HIS 101 CO -0.06 -0.93 1.04 -0.51 -0.65 0.00 0.00 174.74 173.62 2k2e s LEU 102 N 2.51 3.90 0.09 8.88 1.43 -1.26 -4.91 118.68 129.32 2k2e s LEU 102 Ca 0.15 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.17 2k2e s LEU 102 Cb -0.18 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 2k2e s LEU 102 CO 0.13 -0.71 0.27 -0.76 0.23 0.00 0.00 176.35 175.51 2k2e s LEU 103 N -3.33 4.33 0.34 1.79 1.43 -1.26 -5.11 118.68 116.87 2k2e s LEU 103 Ca 0.65 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.20 2k2e s LEU 103 Cb -0.17 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 2k2e s LEU 103 CO 0.21 0.12 0.31 -0.83 0.23 0.00 0.00 176.35 176.39 2k2e s GLY 104 N -2.54 1.80 0.57 -3.19 0.00 -1.26 -4.95 107.32 97.74 2k2e s GLY 104 Ca 0.37 -1.66 0.26 0.00 0.00 0.00 0.00 44.72 43.69 2k2e s GLY 104 CO 0.27 -1.58 2.21 -0.56 0.00 0.00 0.00 173.10 173.45 2k2e h PRO 105 N 1.21 0.00 0.00 2.90 0.13 -1.99 0.09 132.00 134.34 2k2e h PRO 105 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k2e h PRO 105 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k2e h PRO 105 CO 0.58 0.02 -0.51 0.39 -0.23 0.00 0.00 178.00 178.25 2k2e n GLU 106 N -3.99 0.10 -0.07 0.86 1.02 -1.26 -2.02 120.64 115.28 2k2e n GLU 106 Ca -0.03 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2k2e n GLU 106 Cb 0.10 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.84 2k2e n GLU 106 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2k2e n GLN 107 N -1.71 0.65 -0.38 3.49 6.02 -0.09 -3.97 117.38 121.38 2k2e n GLN 107 Ca 0.05 0.41 0.05 0.00 -0.01 0.00 0.00 57.00 57.49 2k2e n GLN 107 Cb 0.37 -1.70 0.21 0.00 1.02 0.00 0.00 30.24 30.14 2k2e n GLN 107 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2k2e n VAL 108 N -3.99 1.15 0.03 5.09 0.24 -0.54 -4.07 118.33 116.23 2k2e n VAL 108 Ca -0.35 -0.68 -0.10 0.00 -2.04 0.00 0.00 64.34 61.17 2k2e n VAL 108 Cb 0.86 -0.14 -0.04 0.00 -1.47 0.00 0.00 33.84 33.05 2k2e n VAL 108 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2k2e h ARG 109 N 2.24 -0.28 -0.96 7.34 2.43 -1.53 0.30 114.38 123.92 2k2e h ARG 109 Ca 0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2k2e h ARG 109 Cb 1.02 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 2k2e h ARG 109 CO 0.17 -0.19 0.63 -1.35 -1.51 0.00 0.00 179.97 177.73 2k2e h PRO 110 N -0.29 1.22 -0.10 0.20 0.11 -1.87 -1.14 132.00 130.13 2k2e h PRO 110 Ca 0.08 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 2k2e h PRO 110 Cb 0.40 -0.27 0.01 0.00 0.11 0.00 0.00 31.00 31.25 2k2e h PRO 110 CO -0.24 0.80 -0.66 -0.07 -0.21 0.00 0.00 178.00 177.63 2k2e h LEU 111 N 1.25 0.75 -1.09 2.35 3.38 -1.76 -2.73 115.31 117.47 2k2e h LEU 111 Ca 0.37 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2k2e h LEU 111 Cb -0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 2k2e h LEU 111 CO -0.10 1.29 0.41 -0.07 0.09 0.00 0.00 178.44 180.06 2k2e h LEU 112 N 0.26 0.93 -1.31 1.67 3.38 -0.76 0.28 115.31 119.76 2k2e h LEU 112 Ca -0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2k2e h LEU 112 Cb 1.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2k2e h LEU 112 CO 0.13 0.75 0.15 0.00 0.09 0.00 0.00 178.44 179.57 2k2e h ALA 113 N 1.40 1.46 0.00 1.53 0.00 -1.15 -1.94 119.26 120.55 2k2e h ALA 113 Ca 0.26 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2k2e h ALA 113 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k2e h ALA 113 CO -0.04 0.41 -0.81 0.52 0.00 0.00 0.00 179.25 179.33 2k2e h MET 114 N 0.62 0.00 0.00 0.00 2.86 -1.00 -3.47 114.93 113.94 2k2e h MET 114 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2k2e h MET 114 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2k2e h MET 114 CO -0.01 0.81 0.00 0.41 1.06 0.00 0.00 176.91 179.17 2k2e n GLY 115 N 0.83 1.38 3.55 8.32 0.00 -0.08 -5.09 105.19 114.09 2k2e n GLY 115 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k2e n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k2e s VAL 116 N -2.00 4.91 -0.00 1.61 1.01 0.80 -4.86 120.40 121.87 2k2e s VAL 116 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 2k2e s VAL 116 Cb 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2k2e s VAL 116 CO 0.00 -0.37 0.97 -0.83 0.00 0.00 0.00 175.10 174.87 2k2e s GLY 117 N 1.84 2.90 -0.21 4.51 0.00 0.03 -3.32 107.32 113.07 2k2e s GLY 117 Ca 0.22 0.52 -0.05 0.00 0.00 0.00 0.00 44.72 45.40 2k2e s GLY 117 CO 0.16 1.66 0.01 0.14 0.00 0.00 0.00 173.10 175.07 2k2e s VAL 118 N 1.00 4.00 -0.31 1.40 1.01 -1.26 0.30 120.40 126.53 2k2e s VAL 118 Ca 0.51 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 2k2e s VAL 118 Cb -0.21 -2.82 0.06 0.00 0.00 0.00 0.00 36.38 33.41 2k2e s VAL 118 CO 0.28 0.42 0.03 -0.70 0.00 0.00 0.00 175.10 175.12 2k2e s GLU 119 N 1.08 2.37 -0.42 2.72 2.56 0.95 -4.93 118.70 123.03 2k2e s GLU 119 Ca 0.02 -1.34 -0.20 0.00 0.00 0.00 0.00 54.97 53.46 2k2e s GLU 119 Cb -0.14 -3.24 0.02 0.00 2.00 0.00 0.00 34.13 32.77 2k2e s GLU 119 CO 0.02 -0.68 0.58 0.00 -0.56 0.00 0.00 175.26 174.61 2k2e s ALA 120 N 1.24 3.39 0.06 6.30 0.00 -1.26 -0.73 121.76 130.75 2k2e s ALA 120 Ca -0.03 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.71 2k2e s ALA 120 Cb -0.20 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 2k2e s ALA 120 CO -0.01 -1.63 0.04 -1.33 0.00 0.00 0.00 175.76 172.83 2k2e n MET 121 N 6.02 0.25 -2.02 0.00 2.81 0.25 -4.87 117.12 119.56 2k2e n MET 121 Ca -0.03 -0.57 -0.34 0.00 -1.81 0.00 0.00 57.70 54.94 2k2e n MET 121 Cb 0.48 0.43 0.02 0.00 -0.71 0.00 0.00 33.22 33.44 2k2e n MET 121 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k2e s ASP 122 N -1.40 5.40 0.25 7.83 2.15 -1.26 -0.29 116.67 129.35 2k2e s ASP 122 Ca 0.06 2.12 -0.04 0.00 0.43 0.00 0.00 52.55 55.13 2k2e s ASP 122 Cb 0.00 -2.57 0.29 0.00 -0.30 0.00 0.00 42.92 40.35 2k2e s ASP 122 CO 0.04 -1.44 1.80 0.00 -0.17 0.00 0.00 175.17 175.40 2k2e h THR 123 N 0.67 1.24 0.13 1.71 1.03 -1.82 0.13 112.91 115.99 2k2e h THR 123 Ca -0.49 -0.85 -0.28 0.00 -0.01 0.00 0.00 66.41 64.78 2k2e h THR 123 Cb 1.26 0.56 0.02 0.00 -1.07 0.00 0.00 68.15 68.91 2k2e h THR 123 CO 0.55 0.33 -1.23 -0.61 -0.01 0.00 0.00 175.52 174.55 2k2e h GLN 124 N 0.94 0.44 -0.59 0.00 4.15 -1.95 -1.91 115.11 116.19 2k2e h GLN 124 Ca 0.21 -0.64 -0.09 0.00 0.77 0.00 0.00 58.65 58.90 2k2e h GLN 124 Cb 0.29 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 2k2e h GLN 124 CO -0.01 1.28 0.03 0.00 -1.93 0.00 0.00 178.83 178.20 2k2e h ALA 125 N 0.46 0.94 -0.26 3.38 0.00 -1.89 -2.51 119.26 119.38 2k2e h ALA 125 Ca -0.16 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2k2e h ALA 125 Cb 1.92 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2k2e h ALA 125 CO 0.22 0.64 -0.52 0.00 0.00 0.00 0.00 179.25 179.59 2k2e h ALA 126 N 1.10 0.42 -0.76 0.00 0.00 -0.76 -2.72 119.26 116.54 2k2e h ALA 126 Ca 0.17 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2k2e h ALA 126 Cb 0.50 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2k2e h ALA 126 CO 0.02 0.61 0.45 0.00 0.00 0.00 0.00 179.25 180.33 2k2e h ALA 127 N 0.65 1.35 -0.12 0.00 0.00 -1.22 0.14 119.26 120.07 2k2e h ALA 127 Ca 0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2k2e h ALA 127 Cb 1.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k2e h ALA 127 CO 0.12 0.55 -0.44 0.00 0.00 0.00 0.00 179.25 179.47 2k2e h ARG 128 N 1.05 0.52 -0.13 0.00 3.08 -1.44 -2.49 114.38 114.98 2k2e h ARG 128 Ca 0.27 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 2k2e h ARG 128 Cb -0.02 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2k2e h ARG 128 CO -0.05 1.02 -0.29 1.79 -1.07 0.00 0.00 179.97 181.36 2k2e h THR 129 N 0.13 1.26 -0.57 2.04 1.35 -1.27 -2.25 112.91 113.60 2k2e h THR 129 Ca -0.02 -1.22 0.04 0.00 -0.55 0.00 0.00 66.41 64.66 2k2e h THR 129 Cb 1.07 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 68.94 2k2e h THR 129 CO 0.09 0.37 0.31 0.22 -0.25 0.00 0.00 175.52 176.27 2k2e h TYR 130 N 0.21 0.58 -0.45 4.73 3.20 -0.65 -0.50 116.97 124.09 2k2e h TYR 130 Ca 0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2k2e h TYR 130 Cb 0.63 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2k2e h TYR 130 CO 0.01 0.30 0.02 -0.97 -1.64 0.00 0.00 178.16 175.88 2k2e h ASN 131 N 0.61 0.70 -0.02 -2.11 -1.24 -0.95 0.84 115.58 113.40 2k2e h ASN 131 Ca 0.25 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 2k2e h ASN 131 Cb 0.11 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 2k2e h ASN 131 CO -0.15 0.75 0.01 0.40 -1.29 0.00 0.00 177.43 177.16 2k2e h ILE 132 N 0.69 1.10 -0.03 2.57 2.04 -0.84 0.30 117.51 123.35 2k2e h ILE 132 Ca 0.14 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 2k2e h ILE 132 Cb 0.40 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2k2e h ILE 132 CO 0.01 0.08 -0.26 -0.07 0.00 0.00 0.00 178.15 177.91 2k2e h LEU 133 N -0.10 0.05 -0.49 1.44 3.38 -0.86 -1.19 115.31 117.55 2k2e h LEU 133 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k2e h LEU 133 Cb 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2k2e h LEU 133 CO -0.00 0.32 0.04 -0.03 0.09 0.00 0.00 178.44 178.86 2k2e h MET 134 N 0.05 0.83 -0.28 1.13 4.05 -0.50 -1.17 114.93 119.04 2k2e h MET 134 Ca 0.01 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.13 2k2e h MET 134 Cb 0.49 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 2k2e h MET 134 CO 0.04 0.86 -0.04 0.00 0.23 0.00 0.00 176.91 178.00 2k2e h ALA 135 N 0.95 1.42 0.00 0.39 0.00 -0.01 -0.85 119.26 121.15 2k2e h ALA 135 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k2e h ALA 135 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k2e h ALA 135 CO 0.02 0.41 0.00 0.93 0.00 0.00 0.00 179.25 180.60 2k2e h GLU 136 N 0.42 0.00 -1.62 0.00 5.08 -1.03 -3.47 114.58 113.96 2k2e h GLU 136 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2k2e h GLU 136 Cb 0.33 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.60 2k2e h GLU 136 CO 0.01 0.00 -0.17 0.41 -1.00 0.00 0.00 179.01 178.27 2k2e n GLY 137 N 0.72 0.36 3.96 -3.84 0.00 -0.33 -5.05 105.19 101.02 2k2e n GLY 137 Ca 0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 2k2e n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2e s ARG 138 N -4.86 2.76 -0.97 1.61 0.52 -0.53 -5.01 118.95 112.47 2k2e s ARG 138 Ca 0.09 -0.66 -0.22 0.00 -0.52 0.00 0.00 55.73 54.42 2k2e s ARG 138 Cb -0.04 -2.52 0.08 0.00 0.52 0.00 0.00 34.95 32.99 2k2e s ARG 138 CO 0.11 -0.53 1.32 1.03 0.02 0.00 0.00 175.30 177.25 2k2e s ARG 139 N -4.68 3.56 -0.04 3.54 1.81 -1.26 -4.75 118.95 117.14 2k2e s ARG 139 Ca 0.54 -1.29 0.04 0.00 -1.72 0.00 0.00 55.73 53.29 2k2e s ARG 139 Cb -0.10 -5.14 -0.00 0.00 -0.45 0.00 0.00 34.95 29.26 2k2e s ARG 139 CO 0.38 -2.05 -0.15 0.54 -0.68 0.00 0.00 175.30 173.34 2k2e s VAL 140 N 4.22 1.28 0.02 3.52 0.11 -1.26 0.35 120.40 128.64 2k2e s VAL 140 Ca 0.40 -0.64 0.06 0.00 -2.93 0.00 0.00 61.98 58.88 2k2e s VAL 140 Cb -0.02 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 2k2e s VAL 140 CO -0.08 0.37 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.18 2k2e s VAL 141 N 0.03 1.53 -0.01 2.04 1.01 -1.01 -4.32 120.40 119.67 2k2e s VAL 141 Ca -0.03 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2k2e s VAL 141 Cb -0.10 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2k2e s VAL 141 CO 0.02 0.27 -0.21 0.54 0.00 0.00 0.00 175.10 175.71 2k2e s VAL 142 N -0.65 1.69 -0.23 2.92 0.11 -0.76 -0.24 120.40 123.23 2k2e s VAL 142 Ca 0.07 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 2k2e s VAL 142 Cb -0.08 -1.42 0.05 0.00 -1.53 0.00 0.00 36.38 33.40 2k2e s VAL 142 CO 0.01 0.43 -0.14 0.00 -3.33 0.00 0.00 175.10 172.07 2k2e s ALA 143 N -0.55 2.48 -0.15 1.54 0.00 0.70 -1.56 121.76 124.22 2k2e s ALA 143 Ca 0.08 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 2k2e s ALA 143 Cb -0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2k2e s ALA 143 CO -0.00 -0.92 0.06 -0.51 0.00 0.00 0.00 175.76 174.39 2k2e s LEU 144 N 1.17 3.83 -0.42 0.00 1.43 -0.14 -0.54 118.68 124.00 2k2e s LEU 144 Ca -0.04 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2k2e s LEU 144 Cb -0.18 -1.94 0.09 0.00 0.03 0.00 0.00 46.19 44.19 2k2e s LEU 144 CO -0.08 0.26 0.25 -0.76 0.23 0.00 0.00 176.35 176.26 2k2e s LEU 145 N -0.16 5.18 0.56 1.79 1.43 -1.00 -2.44 118.68 124.04 2k2e s LEU 145 Ca 0.07 -1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 51.40 2k2e s LEU 145 Cb -0.12 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 2k2e s LEU 145 CO 0.01 -0.55 1.04 -2.84 0.23 0.00 0.00 176.35 174.25 2k2e s PRO 146 N 1.38 3.53 -0.64 1.29 0.02 -1.26 -4.76 135.00 134.55 2k2e s PRO 146 Ca 0.03 1.20 -0.25 0.00 0.02 0.00 0.00 61.00 62.00 2k2e s PRO 146 Cb -0.23 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.27 2k2e s PRO 146 CO 0.01 -0.64 1.09 0.34 -0.33 0.00 0.00 177.00 177.47 2k2e s ASP 147 N -2.65 6.26 0.00 2.53 -1.08 -1.26 -4.69 116.67 115.78 2k2e s ASP 147 Ca 0.64 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.18 2k2e s ASP 147 Cb -0.15 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2k2e s ASP 147 CO 0.32 -1.51 0.00 0.61 0.52 0.00 0.00 175.17 175.11 2k2e n GLY 148 N 5.25 1.00 0.35 2.66 0.00 -1.26 -4.07 105.19 109.12 2k2e n GLY 148 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k2e h ASP 149 N 0.00 0.92 -4.25 1.61 3.32 -1.93 -3.41 116.42 112.68 2k2e h ASP 149 Ca 0.00 0.04 -0.49 0.00 0.02 0.00 0.00 57.03 56.59 2k2e h ASP 149 Cb 0.25 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 39.37 2k2e h ASP 149 CO 0.00 0.53 -0.81 -0.94 -1.72 0.00 0.00 179.24 176.29 2k2e s SER 150 N -5.74 1.77 -0.11 6.45 1.04 -1.26 -5.03 113.70 110.82 2k2e s SER 150 Ca -0.12 -0.33 -0.20 0.00 0.48 0.00 0.00 55.95 55.78 2k2e s SER 150 Cb 0.21 -0.18 -0.27 0.00 0.10 0.00 0.00 66.02 65.89 2k2e s SER 150 CO 0.81 0.15 0.62 0.25 0.98 0.00 0.00 173.24 176.05 2k2e h LEU 151 N 5.53 0.29 -8.57 2.42 5.85 -1.97 -3.42 115.31 115.44 2k2e h LEU 151 Ca -0.36 -0.85 -0.54 0.00 0.84 0.00 0.00 57.88 56.96 2k2e h LEU 151 Cb 1.16 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2k2e h LEU 151 CO 0.47 1.45 1.10 -0.70 -0.34 0.00 0.00 178.44 180.43 2k2e s GLU 152 N -2.41 3.28 -0.21 1.25 2.12 -1.26 -4.97 118.70 116.50 2k2e s GLU 152 Ca -0.19 0.41 -0.20 0.00 0.36 0.00 0.00 54.97 55.35 2k2e s GLU 152 Cb 0.03 -4.13 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 2k2e s GLU 152 CO 0.75 -1.97 0.59 -1.01 -0.54 0.00 0.00 175.26 173.07 2k2e s HIS 153 N 6.12 3.36 -0.08 5.30 3.76 -1.26 -5.04 115.29 127.44 2k2e s HIS 153 Ca 0.51 0.85 -0.02 0.00 -0.15 0.00 0.00 55.06 56.26 2k2e s HIS 153 Cb -0.11 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.86 2k2e s HIS 153 CO 0.24 -0.17 0.03 -1.01 -0.85 0.00 0.00 174.74 172.99 2k2e s HIS 154 N 1.89 0.47 -0.06 1.40 3.76 -1.26 -5.12 115.29 116.36 2k2e s HIS 154 Ca 0.27 -0.12 -0.30 0.00 -0.15 0.00 0.00 55.06 54.75 2k2e s HIS 154 Cb -0.16 -0.72 -0.02 0.00 1.11 0.00 0.00 32.58 32.80 2k2e s HIS 154 CO 0.10 -0.33 1.05 -1.01 -0.85 0.00 0.00 174.74 173.69 2k2e s HIS 155 N 2.04 3.48 -2.00 1.40 3.76 -1.26 -4.90 115.29 117.81 2k2e s HIS 155 Ca 0.04 1.53 0.28 0.00 -0.15 0.00 0.00 55.06 56.77 2k2e s HIS 155 Cb -0.13 -3.23 1.69 0.00 1.11 0.00 0.00 32.58 32.02 2k2e s HIS 155 CO -0.05 -0.43 2.06 1.58 -0.85 0.00 0.00 174.74 177.04 2k2e n HIS 156 N 4.75 0.00 -3.81 1.40 -0.00 -1.26 -4.61 115.22 111.69 2k2e n HIS 156 Ca 0.09 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.14 2k2e n HIS 156 Cb 0.49 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.22 2k2e n HIS 156 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k2e s HIS 157 N -2.00 -0.13 -2.63 1.57 5.65 -1.26 -5.39 115.29 111.10 2k2e s HIS 157 Ca 0.42 0.35 0.27 0.00 0.25 0.00 0.00 55.06 56.36 2k2e s HIS 157 Cb 0.19 0.01 0.82 0.00 -1.18 0.00 0.00 32.58 32.43 2k2e s HIS 157 CO 0.33 -0.09 1.62 0.72 -0.65 0.00 0.00 174.74 176.67