#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e n LYS 2 N 0.00 0.53 -3.92 2.12 4.76 -1.26 -5.18 118.16 115.21 2k2e n LYS 2 Ca 0.00 -1.70 -0.27 0.00 -2.87 0.00 0.00 58.31 53.47 2k2e n LYS 2 Cb 0.00 1.11 -0.00 0.00 -1.84 0.00 0.00 35.03 34.30 2k2e n LYS 2 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k2e s LEU 3 N 0.00 2.63 -0.20 -0.35 1.43 -1.26 -5.06 118.68 115.87 2k2e s LEU 3 Ca 0.14 -1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 51.91 2k2e s LEU 3 Cb 0.01 -1.11 -0.21 0.00 0.03 0.00 0.00 46.19 44.91 2k2e s LEU 3 CO 0.10 -1.15 0.02 1.41 0.23 0.00 0.00 176.35 176.95 2k2e n HIS 4 N -1.79 0.54 -2.39 0.29 8.25 -1.26 -4.99 115.22 113.87 2k2e n HIS 4 Ca -0.02 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2k2e n HIS 4 Cb 0.64 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.68 2k2e n HIS 4 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2k2e n THR 5 N -3.44 0.00 -2.03 1.59 -1.04 -1.26 -5.07 114.28 103.03 2k2e n THR 5 Ca -0.40 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.24 2k2e n THR 5 Cb 1.00 -1.05 0.02 0.00 -1.82 0.00 0.00 70.33 68.48 2k2e n THR 5 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2k2e s ASP 6 N -1.00 5.54 0.00 8.00 -4.77 -1.24 -4.88 116.67 118.32 2k2e s ASP 6 Ca 0.00 2.47 0.00 0.00 -3.30 0.00 0.00 52.55 51.72 2k2e s ASP 6 Cb 0.00 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2k2e s ASP 6 CO 0.00 -1.36 1.13 -2.65 0.70 0.00 0.00 175.17 172.99 2k2e n PRO 7 N -1.06 0.82 -1.63 2.11 -0.02 -1.26 -4.85 135.00 129.11 2k2e n PRO 7 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2k2e n PRO 7 Cb 0.48 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 8 N 0.96 -2.45 -1.53 3.55 0.00 -1.26 -5.08 120.51 114.70 2k2e n ALA 8 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2k2e n ALA 8 Cb 0.41 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2k2e n ALA 8 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k2e n THR 9 N 1.06 0.00 -4.56 0.00 -2.24 -1.26 -5.05 114.28 102.23 2k2e n THR 9 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2k2e n THR 9 Cb 0.00 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 67.60 2k2e n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k2e s ALA 10 N -3.28 2.98 0.12 6.98 0.00 -1.26 -5.06 121.76 122.24 2k2e s ALA 10 Ca 0.00 -2.15 0.08 0.00 0.00 0.00 0.00 51.96 49.88 2k2e s ALA 10 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2k2e s ALA 10 CO 0.00 0.00 -0.19 -0.51 0.00 0.00 0.00 175.76 175.07 2k2e s LEU 11 N -3.63 2.36 -0.19 0.00 1.43 -1.13 -3.31 118.68 114.21 2k2e s LEU 11 Ca 0.33 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 2k2e s LEU 11 Cb 0.05 -0.79 0.07 0.00 0.03 0.00 0.00 46.19 45.55 2k2e s LEU 11 CO 0.17 -0.01 0.45 0.21 0.23 0.00 0.00 176.35 177.40 2k2e s ASN 12 N -2.22 -0.52 -0.05 2.29 2.47 -1.21 -4.90 114.94 110.80 2k2e s ASN 12 Ca 0.09 1.01 0.02 0.00 0.42 0.00 0.00 52.86 54.40 2k2e s ASN 12 Cb -0.08 1.03 -0.03 0.00 -1.45 0.00 0.00 41.25 40.72 2k2e s ASN 12 CO 0.05 -0.21 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.25 2k2e s THR 13 N 1.77 3.63 -0.18 -5.21 2.01 -1.26 -4.77 115.64 111.63 2k2e s THR 13 Ca -0.08 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 2k2e s THR 13 Cb -0.09 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2k2e s THR 13 CO -0.14 0.55 1.68 -0.69 -0.69 0.00 0.00 174.62 175.33 2k2e s VAL 14 N -0.85 3.60 -0.07 3.82 1.01 -1.26 -4.37 120.40 122.28 2k2e s VAL 14 Ca 0.13 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.54 2k2e s VAL 14 Cb -0.11 -3.59 -0.23 0.00 0.00 0.00 0.00 36.38 32.45 2k2e s VAL 14 CO 0.03 -0.23 1.01 0.71 0.00 0.00 0.00 175.10 176.62 2k2e h THR 15 N 6.10 1.59 -3.46 3.92 1.35 -1.85 -3.46 112.91 117.10 2k2e h THR 15 Ca -0.36 -1.86 -0.40 0.00 -0.55 0.00 0.00 66.41 63.24 2k2e h THR 15 Cb 1.17 2.81 -0.34 0.00 -1.73 0.00 0.00 68.15 70.06 2k2e h THR 15 CO 0.99 0.49 -0.77 0.00 -0.25 0.00 0.00 175.52 175.98 2k2e s ALA 16 N -3.14 0.65 -0.47 6.62 0.00 -0.50 -5.04 121.76 119.88 2k2e s ALA 16 Ca -0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 2k2e s ALA 16 Cb -0.00 -0.42 0.10 0.00 0.00 0.00 0.00 23.12 22.80 2k2e s ALA 16 CO 0.70 -0.03 0.36 -0.47 0.00 0.00 0.00 175.76 176.33 2k2e s TYR 17 N 0.94 3.33 0.78 0.00 5.04 -1.26 -0.78 117.35 125.40 2k2e s TYR 17 Ca -0.11 -1.47 -0.07 0.00 -2.44 0.00 0.00 57.07 52.99 2k2e s TYR 17 Cb -0.14 -3.32 0.13 0.00 0.35 0.00 0.00 41.96 38.97 2k2e s TYR 17 CO -0.00 -0.91 1.09 0.20 -1.34 0.00 0.00 175.55 174.58 2k2e s GLY 18 N 2.66 1.75 0.37 8.97 0.00 -0.30 -4.99 107.32 115.78 2k2e s GLY 18 Ca 0.04 -1.32 0.21 0.00 0.00 0.00 0.00 44.72 43.65 2k2e s GLY 18 CO 0.02 -0.75 1.49 -0.55 0.00 0.00 0.00 173.10 173.32 2k2e h ASP 19 N -0.86 0.00 0.00 1.64 3.32 -2.01 -3.39 116.42 115.12 2k2e h ASP 19 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k2e h ASP 19 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k2e h ASP 19 CO 0.46 0.15 -0.87 0.61 -1.72 0.00 0.00 179.24 177.87 2k2e n GLY 20 N 1.15 0.00 3.54 2.75 0.00 -1.26 -4.71 105.19 106.66 2k2e n GLY 20 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.87 2.21 -0.07 1.61 -0.85 -1.26 -2.74 117.35 114.38 2k2e s TYR 21 Ca 0.00 -0.84 0.05 0.00 -0.52 0.00 0.00 57.07 55.77 2k2e s TYR 21 Cb 0.00 -1.52 -0.01 0.00 0.38 0.00 0.00 41.96 40.82 2k2e s TYR 21 CO 0.00 0.21 -0.25 0.42 -1.52 0.00 0.00 175.55 174.41 2k2e s ILE 22 N -3.02 2.06 -0.20 -3.49 1.01 -1.06 -1.15 121.20 115.35 2k2e s ILE 22 Ca 0.34 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2k2e s ILE 22 Cb 0.09 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.80 2k2e s ILE 22 CO 0.16 0.57 -0.09 -0.70 0.00 0.00 0.00 174.94 174.88 2k2e s GLU 23 N 0.02 3.29 -0.23 2.79 -6.30 0.04 0.24 118.70 118.54 2k2e s GLU 23 Ca -0.09 -0.68 0.01 0.00 -2.50 0.00 0.00 54.97 51.71 2k2e s GLU 23 Cb -0.15 -2.87 0.06 0.00 0.00 0.00 0.00 34.13 31.16 2k2e s GLU 23 CO 0.06 -0.16 -0.07 0.08 0.02 0.00 0.00 175.26 175.18 2k2e s VAL 24 N 1.34 1.65 -1.09 3.70 1.01 -0.27 -1.40 120.40 125.33 2k2e s VAL 24 Ca 0.04 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 2k2e s VAL 24 Cb -0.14 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2k2e s VAL 24 CO -0.05 -0.05 0.91 -3.20 0.00 0.00 0.00 175.10 172.72 2k2e n ASN 25 N 4.64 -2.58 -0.38 3.32 5.15 -1.26 -2.52 115.26 121.62 2k2e n ASN 25 Ca -0.13 -0.58 -0.05 0.00 -0.60 0.00 0.00 54.58 53.22 2k2e n ASN 25 Cb 0.44 -4.77 -0.02 0.00 -0.53 0.00 0.00 39.78 34.90 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e n GLN 26 N -3.78 -0.99 -3.97 1.20 6.02 -1.26 -4.96 117.38 109.64 2k2e n GLN 26 Ca -0.24 0.55 -0.34 0.00 -0.01 0.00 0.00 57.00 56.96 2k2e n GLN 26 Cb 0.65 -4.45 -0.14 0.00 1.02 0.00 0.00 30.24 27.32 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 -1.86 2.64 -0.25 5.09 1.01 -1.05 -5.08 120.40 120.89 2k2e s VAL 27 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 61.98 60.14 2k2e s VAL 27 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2k2e s VAL 27 CO 0.00 -0.13 0.92 -0.13 0.00 0.00 0.00 175.10 175.75 2k2e s ARG 28 N 1.17 4.17 -0.45 2.72 0.52 -1.26 -1.12 118.95 124.70 2k2e s ARG 28 Ca -0.05 1.05 -0.16 0.00 -0.52 0.00 0.00 55.73 56.05 2k2e s ARG 28 Cb -0.20 -3.66 0.05 0.00 0.52 0.00 0.00 34.95 31.66 2k2e s ARG 28 CO -0.03 -0.61 0.41 -0.06 0.02 0.00 0.00 175.30 175.03 2k2e s PHE 29 N 3.05 3.20 -1.44 -0.53 0.08 0.14 -4.90 117.98 117.57 2k2e s PHE 29 Ca 0.39 -0.67 0.09 0.00 0.12 0.00 0.00 56.93 56.86 2k2e s PHE 29 Cb -0.15 -2.99 0.35 0.00 -0.57 0.00 0.00 43.02 39.66 2k2e s PHE 29 CO 0.08 -0.75 1.20 -1.13 -0.10 0.00 0.00 175.22 174.52 2k2e n SER 30 N 5.39 2.49 -4.08 1.36 3.41 -1.26 -2.57 113.62 118.36 2k2e n SER 30 Ca -0.10 -2.18 -0.08 0.00 -0.26 0.00 0.00 58.87 56.24 2k2e n SER 30 Cb 0.46 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2k2e s HIS 31 N -1.66 0.57 0.44 7.33 0.00 -1.26 -5.03 115.29 115.68 2k2e s HIS 31 Ca 0.25 -1.06 -0.25 0.00 -3.00 0.00 0.00 55.06 51.00 2k2e s HIS 31 Cb 0.16 -0.37 -0.09 0.00 -4.00 0.00 0.00 32.58 28.28 2k2e s HIS 31 CO 0.13 -0.44 1.37 0.00 -1.00 0.00 0.00 174.74 174.80 2k2e n ALA 32 N 0.03 1.76 -2.79 -1.38 0.00 -1.21 -4.81 120.51 112.12 2k2e n ALA 32 Ca -0.12 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 2k2e n ALA 32 Cb 0.62 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.58 2k2e n ALA 32 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2k2e s ILE 33 N -1.20 0.37 -0.20 0.00 -4.36 -0.89 -0.07 121.20 114.84 2k2e s ILE 33 Ca 0.61 -0.20 -0.02 0.00 -0.26 0.00 0.00 60.65 60.79 2k2e s ILE 33 Cb -0.47 -0.32 0.06 0.00 1.25 0.00 0.00 42.46 42.99 2k2e s ILE 33 CO 0.57 0.11 0.02 0.00 0.24 0.00 0.00 174.94 175.88 2k2e s ALA 34 N -0.09 1.16 0.10 2.27 0.00 0.53 0.26 121.76 126.00 2k2e s ALA 34 Ca 0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 2k2e s ALA 34 Cb -0.02 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 2k2e s ALA 34 CO -0.00 -1.19 0.20 -0.59 0.00 0.00 0.00 175.76 174.17 2k2e s PHE 35 N 1.78 0.21 0.17 0.00 -0.71 0.17 -1.50 117.98 118.11 2k2e s PHE 35 Ca -0.01 -0.63 0.07 0.00 -1.04 0.00 0.00 56.93 55.31 2k2e s PHE 35 Cb -0.17 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 2k2e s PHE 35 CO -0.08 -0.57 0.04 0.00 -1.34 0.00 0.00 175.22 173.26 2k2e s ALA 36 N -3.88 3.30 -1.43 1.99 0.00 -1.23 -0.83 121.76 119.68 2k2e s ALA 36 Ca 0.07 -1.33 0.15 0.00 0.00 0.00 0.00 51.96 50.86 2k2e s ALA 36 Cb 0.05 -1.09 0.77 0.00 0.00 0.00 0.00 23.12 22.85 2k2e s ALA 36 CO -0.09 0.48 1.43 -0.35 0.00 0.00 0.00 175.76 177.24 2k2e n PRO 37 N -0.20 0.22 -0.46 0.00 -0.04 -1.26 -3.31 135.00 129.95 2k2e n PRO 37 Ca -0.09 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.56 2k2e n PRO 37 Cb 0.55 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.75 2k2e n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k2e n GLU 38 N -1.29 3.01 0.00 0.54 1.02 -1.21 -2.83 120.64 119.89 2k2e n GLU 38 Ca 0.07 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 2k2e n GLU 38 Cb 0.12 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2k2e n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k2e n GLY 39 N 0.62 1.05 3.70 0.62 0.00 -1.21 -4.49 105.19 105.49 2k2e n GLY 39 Ca 0.16 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 2k2e n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k2e n PRO 40 N 0.00 2.32 -3.95 1.61 -0.04 -1.26 -4.83 135.00 128.84 2k2e n PRO 40 Ca 0.00 0.83 -0.35 0.00 -0.04 0.00 0.00 63.50 63.94 2k2e n PRO 40 Cb 0.00 -2.54 -0.14 0.00 -0.04 0.00 0.00 33.50 30.77 2k2e n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 41 N 0.03 3.09 0.21 0.52 1.01 -1.26 -3.53 120.40 120.46 2k2e s VAL 41 Ca 0.67 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2k2e s VAL 41 Cb -0.59 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2k2e s VAL 41 CO 0.48 0.45 0.35 0.00 0.00 0.00 0.00 175.10 176.38 2k2e s ALA 42 N 1.44 3.92 0.08 5.51 0.00 -0.56 -4.33 121.76 127.81 2k2e s ALA 42 Ca 0.06 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 51.00 2k2e s ALA 42 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 2k2e s ALA 42 CO -0.05 0.35 -0.21 -1.12 0.00 0.00 0.00 175.76 174.72 2k2e s SER 43 N -3.63 2.57 -0.04 0.00 0.01 -1.26 -0.34 113.70 111.01 2k2e s SER 43 Ca 0.35 -0.63 0.05 0.00 1.31 0.00 0.00 55.95 57.03 2k2e s SER 43 Cb -0.10 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 2k2e s SER 43 CO 0.29 0.10 -0.18 0.26 0.41 0.00 0.00 173.24 174.13 2k2e s TRP 44 N -1.02 2.60 -0.52 2.43 0.52 0.90 -4.88 118.94 118.96 2k2e s TRP 44 Ca 0.07 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.96 2k2e s TRP 44 Cb -0.10 -1.60 0.23 0.00 -1.15 0.00 0.00 33.47 30.86 2k2e s TRP 44 CO 0.03 0.10 1.04 -0.35 0.02 0.00 0.00 176.95 177.80 2k2e n PRO 45 N 2.40 1.88 -3.01 4.98 -0.05 -1.26 -3.32 135.00 136.62 2k2e n PRO 45 Ca -0.17 -0.95 -0.40 0.00 -0.05 0.00 0.00 63.50 61.93 2k2e n PRO 45 Cb 0.52 -1.59 -0.05 0.00 -0.05 0.00 0.00 33.50 32.34 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2k2e s VAL 46 N -1.33 5.02 -0.09 0.52 1.01 -1.26 -4.95 120.40 119.32 2k2e s VAL 46 Ca 0.17 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2k2e s VAL 46 Cb 0.14 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2k2e s VAL 46 CO 0.04 0.25 -0.08 0.00 0.00 0.00 0.00 175.10 175.31 2k2e n GLN 47 N 3.73 0.22 -4.17 2.72 6.02 -1.26 -4.63 117.38 120.01 2k2e n GLN 47 Ca -0.01 0.06 -0.33 0.00 -0.01 0.00 0.00 57.00 56.71 2k2e n GLN 47 Cb 0.51 -1.14 -0.08 0.00 1.02 0.00 0.00 30.24 30.55 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k2e s ARG 48 N -2.18 2.92 0.00 -1.09 3.00 -1.26 -4.98 118.95 115.37 2k2e s ARG 48 Ca -0.12 -0.56 0.06 0.00 0.00 0.00 0.00 55.73 55.11 2k2e s ARG 48 Cb 0.03 -2.76 0.28 0.00 0.00 0.00 0.00 34.95 32.51 2k2e s ARG 48 CO 0.20 0.63 1.16 -0.35 0.00 0.00 0.00 175.30 176.94 2k2e n PRO 49 N 1.20 0.03 0.03 3.54 -0.04 -1.26 -0.58 135.00 137.91 2k2e n PRO 49 Ca -0.13 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 2k2e n PRO 49 Cb 0.53 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.70 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e n ALA 50 N -1.44 3.19 0.49 0.55 0.00 -1.26 -3.67 120.51 118.37 2k2e n ALA 50 Ca 0.02 -0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.29 2k2e n ALA 50 Cb 0.07 -1.15 0.30 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.25 0.00 3.32 -1.24 -3.45 116.42 112.80 2k2e h ASP 51 Ca 0.00 -0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.47 2k2e h ASP 51 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2k2e h ASP 51 CO 0.00 0.01 1.34 -0.63 -1.72 0.00 0.00 179.24 178.24 2k2e s ILE 52 N -3.15 3.10 0.19 0.35 1.01 -1.24 -4.97 121.20 116.49 2k2e s ILE 52 Ca 0.09 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.93 2k2e s ILE 52 Cb 0.10 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2k2e s ILE 52 CO 0.64 -0.05 -0.01 -0.89 0.00 0.00 0.00 174.94 174.63 2k2e s THR 53 N 6.40 3.63 0.32 2.92 2.01 -1.26 -5.02 115.64 124.65 2k2e s THR 53 Ca 0.92 -1.52 0.07 0.00 0.31 0.00 0.00 61.69 61.47 2k2e s THR 53 Cb -0.36 -2.84 0.31 0.00 0.01 0.00 0.00 72.50 69.62 2k2e s THR 53 CO 0.37 -0.15 1.81 0.00 -0.69 0.00 0.00 174.62 175.95 2k2e h ALA 54 N 2.59 1.74 -0.67 7.40 0.00 -1.91 -0.33 119.26 128.08 2k2e h ALA 54 Ca -0.47 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2k2e h ALA 54 Cb 1.21 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2k2e h ALA 54 CO 0.58 -0.07 0.39 0.77 0.00 0.00 0.00 179.25 180.92 2k2e h SER 55 N 0.75 0.61 0.18 0.00 0.02 -1.95 -1.89 113.55 111.27 2k2e h SER 55 Ca 0.54 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.40 2k2e h SER 55 Cb 0.86 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2k2e h SER 55 CO -0.31 0.40 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.32 2k2e h LEU 56 N 0.74 0.29 -0.94 5.07 3.38 -1.49 -2.47 115.31 119.89 2k2e h LEU 56 Ca 0.29 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2k2e h LEU 56 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2k2e h LEU 56 CO -0.15 0.65 -0.13 -0.07 0.09 0.00 0.00 178.44 178.83 2k2e h LEU 57 N 0.24 0.62 -0.83 1.67 3.38 -0.66 0.54 115.31 120.26 2k2e h LEU 57 Ca 0.02 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 2k2e h LEU 57 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k2e h LEU 57 CO 0.06 0.77 -0.45 1.56 0.09 0.00 0.00 178.44 180.48 2k2e h GLN 58 N 0.57 0.30 -0.29 1.13 4.20 -0.98 0.10 115.11 120.15 2k2e h GLN 58 Ca 0.10 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2k2e h GLN 58 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2k2e h GLN 58 CO 0.04 0.69 -0.06 1.96 -0.67 0.00 0.00 178.83 180.79 2k2e h GLN 59 N 0.25 0.55 -0.39 1.46 4.20 -1.00 -2.91 115.11 117.25 2k2e h GLN 59 Ca 0.02 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 2k2e h GLN 59 Cb 0.89 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2k2e h GLN 59 CO 0.07 0.74 0.03 0.00 -0.67 0.00 0.00 178.83 179.00 2k2e h ALA 60 N 0.79 1.31 0.00 3.87 0.00 -0.57 -1.59 119.26 123.07 2k2e h ALA 60 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k2e h ALA 60 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k2e h ALA 60 CO 0.03 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2k2e n ALA 61 N -2.47 1.62 -2.95 0.00 0.00 0.33 -4.72 120.51 112.31 2k2e n ALA 61 Ca 0.02 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2k2e n ALA 61 Cb 0.24 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.10 0.31 2.44 0.00 0.00 -0.60 -4.64 105.19 102.61 2k2e n GLY 62 Ca 0.02 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2k2e n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k2e n LEU 63 N -2.41 8.22 -3.97 0.99 4.77 -1.11 -4.82 117.00 118.67 2k2e n LEU 63 Ca -0.00 -4.44 -0.12 0.00 -0.03 0.00 0.00 56.01 51.42 2k2e n LEU 63 Cb 0.53 -1.54 -0.12 0.00 -2.33 0.00 0.00 43.42 39.96 2k2e n LEU 63 CO 0.27 1.88 -0.38 0.00 -1.33 0.00 0.00 177.39 177.84 2k2e s ALA 64 N 1.65 0.24 0.07 -1.18 0.00 -1.26 -5.00 121.76 116.28 2k2e s ALA 64 Ca 0.62 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 2k2e s ALA 64 Cb 0.17 0.06 -0.17 0.00 0.00 0.00 0.00 23.12 23.18 2k2e s ALA 64 CO -0.07 -0.06 1.65 0.93 0.00 0.00 0.00 175.76 178.21 2k2e h GLU 65 N 5.12 -0.35 -4.57 0.00 4.39 -1.95 -3.37 114.58 113.86 2k2e h GLU 65 Ca -0.31 0.02 -0.65 0.00 0.34 0.00 0.00 59.36 58.77 2k2e h GLU 65 Cb 1.21 0.08 -0.39 0.00 -0.10 0.00 0.00 28.75 29.55 2k2e h GLU 65 CO 0.44 -0.20 -0.76 0.08 -1.16 0.00 0.00 179.01 177.42 2k2e s VAL 66 N -5.96 1.98 -0.38 3.13 1.01 -1.26 -4.32 120.40 114.60 2k2e s VAL 66 Ca -0.15 -1.88 -0.28 0.00 0.00 0.00 0.00 61.98 59.67 2k2e s VAL 66 Cb 0.05 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2k2e s VAL 66 CO 0.64 -0.37 1.70 -0.69 0.00 0.00 0.00 175.10 176.38 2k2e s VAL 67 N 1.11 3.57 -0.82 2.92 1.01 -1.26 -4.91 120.40 122.02 2k2e s VAL 67 Ca 0.03 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2k2e s VAL 67 Cb -0.19 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2k2e s VAL 67 CO -0.09 -0.56 1.77 -0.13 0.00 0.00 0.00 175.10 176.10 2k2e s ARG 68 N 5.61 2.81 -0.02 2.72 0.52 -1.26 -4.54 118.95 124.79 2k2e s ARG 68 Ca 0.74 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.48 2k2e s ARG 68 Cb -0.19 -4.83 -0.05 0.00 0.52 0.00 0.00 34.95 30.39 2k2e s ARG 68 CO 0.32 -2.88 1.47 0.34 0.02 0.00 0.00 175.30 174.58 2k2e s ASP 69 N 7.11 6.79 0.00 0.23 2.15 -1.26 -4.91 116.67 126.78 2k2e s ASP 69 Ca 0.62 2.14 0.23 0.00 0.43 0.00 0.00 52.55 55.97 2k2e s ASP 69 Cb -0.07 -2.55 1.15 0.00 -0.30 0.00 0.00 42.92 41.15 2k2e s ASP 69 CO 0.05 -0.79 1.77 -0.81 -0.17 0.00 0.00 175.17 175.22 2k2e n PRO 70 N 5.93 1.29 -0.03 4.34 -0.04 -1.26 -3.66 135.00 141.57 2k2e n PRO 70 Ca 0.14 -0.43 -0.21 0.00 -0.04 0.00 0.00 63.50 62.96 2k2e n PRO 70 Cb 0.43 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2k2e n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k2e n LEU 71 N -0.39 2.50 0.00 1.53 4.77 -1.26 -4.95 117.00 119.20 2k2e n LEU 71 Ca 0.17 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.35 2k2e n LEU 71 Cb 0.18 -1.07 0.02 0.00 -2.33 0.00 0.00 43.42 40.22 2k2e n LEU 71 CO 0.13 0.74 0.07 0.00 -1.33 0.00 0.00 177.39 177.01 2k2e n ALA 72 N -3.14 -0.02 -2.00 -1.18 0.00 -1.24 -5.04 120.51 107.88 2k2e n ALA 72 Ca -0.34 -0.22 0.05 0.00 0.00 0.00 0.00 53.44 52.93 2k2e n ALA 72 Cb 0.97 0.03 0.11 0.00 0.00 0.00 0.00 19.45 20.55 2k2e n ALA 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2k2e n PHE 73 N -1.71 0.00 -3.59 0.00 3.72 -1.26 -4.94 117.46 109.68 2k2e n PHE 73 Ca 0.02 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.50 2k2e n PHE 73 Cb 0.07 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2k2e n PHE 73 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2k2e n LEU 74 N -0.34 0.00 -3.78 4.37 4.77 -1.26 -5.11 117.00 115.65 2k2e n LEU 74 Ca 0.12 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 2k2e n LEU 74 Cb 0.89 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.86 2k2e n LEU 74 CO -0.03 0.00 -0.17 -1.81 -1.33 0.00 0.00 177.39 174.05 2k2e s ASP 75 N -0.17 3.89 -0.43 -1.43 1.01 -1.26 -4.69 116.67 113.58 2k2e s ASP 75 Ca 0.00 -3.22 -0.13 0.00 0.71 0.00 0.00 52.55 49.91 2k2e s ASP 75 Cb 0.00 -1.29 0.06 0.00 1.01 0.00 0.00 42.92 42.70 2k2e s ASP 75 CO 0.00 -0.18 0.31 -1.61 0.21 0.00 0.00 175.17 173.91 2k2e s GLU 76 N -0.49 2.86 0.00 8.23 0.41 -1.26 -5.06 118.70 123.39 2k2e s GLU 76 Ca 0.22 -1.28 0.00 0.00 -0.41 0.00 0.00 54.97 53.51 2k2e s GLU 76 Cb -0.13 -3.95 0.00 0.00 -1.78 0.00 0.00 34.13 28.26 2k2e s GLU 76 CO -0.09 -0.91 0.00 -0.35 -0.49 0.00 0.00 175.26 173.42 2k2e n PRO 77 N 5.09 1.89 -2.65 0.39 -0.04 -1.26 -4.21 135.00 134.22 2k2e n PRO 77 Ca -0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 2k2e n PRO 77 Cb 0.44 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 2k2e n PRO 77 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2k2e s GLU 78 N 0.54 4.47 -0.42 0.54 2.12 -1.26 -4.99 118.70 119.70 2k2e s GLU 78 Ca 0.00 1.47 -0.29 0.00 0.36 0.00 0.00 54.97 56.51 2k2e s GLU 78 Cb 0.00 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.92 2k2e s GLU 78 CO 0.00 -0.22 1.24 0.00 -0.54 0.00 0.00 175.26 175.74 2k2e s ALA 79 N 1.54 3.18 0.00 6.30 0.00 -1.26 -4.66 121.76 126.85 2k2e s ALA 79 Ca 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2k2e s ALA 79 Cb -0.21 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2k2e s ALA 79 CO 0.24 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.23 2k2e n GLY 80 N 4.76 1.81 3.63 0.00 0.00 -1.26 -4.45 105.19 109.68 2k2e n GLY 80 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 81 N -1.00 -2.02 1.00 4.61 0.00 -1.26 -5.10 121.76 117.99 2k2e s ALA 81 Ca 0.00 2.36 0.00 0.00 0.00 0.00 0.00 51.96 54.32 2k2e s ALA 81 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2k2e s ALA 81 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2k2e n GLY 82 N 4.48 -1.24 0.34 0.00 0.00 -1.26 -3.64 105.19 103.87 2k2e n GLY 82 Ca -0.18 -1.65 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e h ALA 83 N -2.00 1.22 -3.18 4.61 0.00 -1.94 -3.39 119.26 114.58 2k2e h ALA 83 Ca 0.00 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 2k2e h ALA 83 Cb 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 17.79 17.22 2k2e h ALA 83 CO 0.00 0.41 -0.75 1.03 0.00 0.00 0.00 179.25 179.95 2k2e s ARG 84 N -6.08 3.39 0.30 0.00 0.52 -1.26 -5.01 118.95 110.80 2k2e s ARG 84 Ca -0.13 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 2k2e s ARG 84 Cb 0.18 -2.79 0.70 0.00 0.52 0.00 0.00 34.95 33.56 2k2e s ARG 84 CO 0.80 0.04 1.78 -1.35 0.02 0.00 0.00 175.30 176.60 2k2e h PRO 85 N 7.29 0.77 -1.02 3.54 0.11 -1.89 -2.07 132.00 138.73 2k2e h PRO 85 Ca -0.33 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.55 2k2e h PRO 85 Cb 1.19 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.02 2k2e h PRO 85 CO 0.59 0.51 0.23 0.00 -0.21 0.00 0.00 178.00 179.11 2k2e n ALA 86 N -2.34 3.60 -2.27 -0.75 0.00 -1.26 -4.72 120.51 112.78 2k2e n ALA 86 Ca 0.22 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.47 2k2e n ALA 86 Cb 0.53 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2k2e n ALA 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k2e n ASN 87 N -0.05 -5.59 -4.72 0.00 5.15 -0.78 -4.81 115.26 104.46 2k2e n ASN 87 Ca 0.21 0.09 -0.39 0.00 -0.60 0.00 0.00 54.58 53.89 2k2e n ASN 87 Cb 0.90 -4.71 -0.05 0.00 -0.53 0.00 0.00 39.78 35.39 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e s ALA 88 N -2.94 3.41 0.99 5.20 0.00 -1.20 -4.85 121.76 122.36 2k2e s ALA 88 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 2k2e s ALA 88 Cb 0.00 -2.81 0.19 0.00 0.00 0.00 0.00 23.12 20.50 2k2e s ALA 88 CO 0.00 -0.03 1.17 -1.25 0.00 0.00 0.00 175.76 175.65 2k2e s PRO 89 N 0.60 0.48 -0.11 0.00 0.04 -1.26 -4.23 135.00 130.52 2k2e s PRO 89 Ca 0.32 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.38 2k2e s PRO 89 Cb -0.17 -1.78 -0.26 0.00 0.04 0.00 0.00 34.50 32.33 2k2e s PRO 89 CO 0.15 -2.60 0.39 -1.91 0.04 0.00 0.00 177.00 173.07 2k2e n GLU 90 N -4.00 0.74 -3.92 4.56 2.13 0.38 -4.39 120.64 116.14 2k2e n GLU 90 Ca 0.10 0.26 -0.12 0.00 0.66 0.00 0.00 57.16 58.07 2k2e n GLU 90 Cb 0.59 -1.71 -0.13 0.00 0.27 0.00 0.00 31.44 30.46 2k2e n GLU 90 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k2e s VAL 91 N -2.56 0.07 -0.20 6.31 0.11 -1.08 -1.10 120.40 121.94 2k2e s VAL 91 Ca -0.20 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2k2e s VAL 91 Cb 0.07 -0.11 0.02 0.00 -1.53 0.00 0.00 36.38 34.83 2k2e s VAL 91 CO 0.77 -0.12 -0.16 -0.22 -3.33 0.00 0.00 175.10 172.04 2k2e s LEU 92 N -0.40 2.49 -0.34 2.54 2.96 0.68 -1.95 118.68 124.66 2k2e s LEU 92 Ca -0.04 -0.76 -0.13 0.00 -0.22 0.00 0.00 54.13 52.99 2k2e s LEU 92 Cb -0.03 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2k2e s LEU 92 CO -0.00 -0.04 0.23 -0.76 -1.32 0.00 0.00 176.35 174.46 2k2e s LEU 93 N 1.28 4.51 -0.30 -0.68 1.43 0.47 -0.36 118.68 125.03 2k2e s LEU 93 Ca 0.03 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2k2e s LEU 93 Cb -0.14 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2k2e s LEU 93 CO -0.10 -0.24 0.10 -0.69 0.23 0.00 0.00 176.35 175.65 2k2e s VAL 94 N 1.71 4.18 -0.51 -1.59 1.01 0.36 -0.26 120.40 125.29 2k2e s VAL 94 Ca 0.06 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2k2e s VAL 94 Cb -0.17 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2k2e s VAL 94 CO 0.10 0.07 0.65 -0.83 0.00 0.00 0.00 175.10 175.09 2k2e s GLY 95 N 1.54 1.75 0.00 4.51 0.00 0.17 -0.08 107.32 115.20 2k2e s GLY 95 Ca 0.03 -1.73 0.15 0.00 0.00 0.00 0.00 44.72 43.18 2k2e s GLY 95 CO 0.04 1.52 1.48 -1.30 0.00 0.00 0.00 173.10 174.84 2k2e n THR 96 N 5.66 0.00 0.00 0.90 -2.24 0.74 -1.85 114.28 117.48 2k2e n THR 96 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2k2e n THR 96 Cb 0.45 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2k2e n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2e n GLY 97 N 0.55 1.64 0.32 3.38 0.00 -1.26 -4.06 105.19 105.75 2k2e n GLY 97 Ca 0.11 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -5.49 1.61 3.08 -1.86 -3.40 114.38 107.60 2k2e h ARG 98 Ca 0.00 0.05 -0.45 0.00 0.07 0.00 0.00 59.98 59.65 2k2e h ARG 98 Cb 0.00 0.17 -0.23 0.00 0.08 0.00 0.00 29.97 29.99 2k2e h ARG 98 CO 0.00 -0.49 -0.79 1.03 -1.07 0.00 0.00 179.97 178.65 2k2e s ARG 99 N -4.06 0.93 -0.56 0.04 3.00 -1.26 -4.69 118.95 112.34 2k2e s ARG 99 Ca -0.11 -0.92 -0.26 0.00 0.00 0.00 0.00 55.73 54.44 2k2e s ARG 99 Cb 0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 34.95 33.94 2k2e s ARG 99 CO 0.33 0.23 2.14 -0.65 0.00 0.00 0.00 175.30 177.35 2k2e s GLN 100 N -1.54 2.34 -0.29 3.54 -0.21 -1.26 -4.63 119.66 117.61 2k2e s GLN 100 Ca 0.01 0.97 -0.18 0.00 0.02 0.00 0.00 55.36 56.18 2k2e s GLN 100 Cb -0.09 -4.51 -0.02 0.00 1.00 0.00 0.00 33.01 29.39 2k2e s GLN 100 CO 0.02 -3.06 0.53 -1.58 -2.12 0.00 0.00 175.29 169.09 2k2e s HIS 101 N 10.77 3.24 -0.32 0.91 2.46 -1.26 -5.01 115.29 126.08 2k2e s HIS 101 Ca 0.83 0.52 -0.29 0.00 0.47 0.00 0.00 55.06 56.59 2k2e s HIS 101 Cb -0.15 -2.81 -0.02 0.00 -0.13 0.00 0.00 32.58 29.48 2k2e s HIS 101 CO 0.22 -0.37 1.74 -1.17 -2.47 0.00 0.00 174.74 172.70 2k2e s LEU 102 N 2.38 3.56 0.50 8.88 2.96 -1.26 -4.82 118.68 130.88 2k2e s LEU 102 Ca 0.21 1.32 -0.19 0.00 -0.22 0.00 0.00 54.13 55.25 2k2e s LEU 102 Cb -0.15 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 2k2e s LEU 102 CO 0.11 -1.62 1.00 -0.76 -1.32 0.00 0.00 176.35 173.76 2k2e s LEU 103 N 6.52 3.75 0.28 -0.68 1.43 -1.26 -5.06 118.68 123.67 2k2e s LEU 103 Ca 0.77 1.75 0.07 0.00 -1.03 0.00 0.00 54.13 55.70 2k2e s LEU 103 Cb -0.22 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.43 2k2e s LEU 103 CO 0.33 -0.69 0.23 -0.83 0.23 0.00 0.00 176.35 175.62 2k2e s GLY 104 N -2.46 1.55 0.00 -3.19 0.00 -1.26 -4.98 107.32 96.98 2k2e s GLY 104 Ca 0.63 -1.51 0.13 0.00 0.00 0.00 0.00 44.72 43.97 2k2e s GLY 104 CO 0.24 -1.51 1.25 -1.55 0.00 0.00 0.00 173.10 171.53 2k2e n PRO 105 N -1.25 0.37 0.08 2.90 -0.04 -1.26 -0.92 135.00 134.88 2k2e n PRO 105 Ca -0.06 0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 2k2e n PRO 105 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2k2e n PRO 105 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k2e h GLU 106 N 0.00 0.00 0.01 0.54 4.39 -1.99 -3.18 114.58 114.35 2k2e h GLU 106 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2k2e h GLU 106 Cb 0.03 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 2k2e h GLU 106 CO 0.00 0.16 -1.94 1.04 -1.16 0.00 0.00 179.01 177.11 2k2e n GLN 107 N -2.83 0.61 0.00 2.33 6.02 -0.09 -4.34 117.38 119.07 2k2e n GLN 107 Ca -0.04 0.38 0.15 0.00 -0.01 0.00 0.00 57.00 57.48 2k2e n GLN 107 Cb 0.70 -1.63 0.66 0.00 1.02 0.00 0.00 30.24 30.99 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 -4.14 0.00 0.20 5.09 0.24 -0.87 -4.38 118.33 114.47 2k2e n VAL 108 Ca -0.42 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.34 61.59 2k2e n VAL 108 Cb 0.83 0.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.30 -0.64 -0.99 7.34 2.43 -1.74 0.31 114.38 122.38 2k2e h ARG 109 Ca 0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2k2e h ARG 109 Cb 0.33 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 2k2e h ARG 109 CO 0.00 -0.43 0.64 -1.35 -1.51 0.00 0.00 179.97 177.32 2k2e h PRO 110 N -0.67 1.15 -0.10 0.20 0.11 -1.88 -0.74 132.00 130.07 2k2e h PRO 110 Ca -0.01 -0.07 -0.21 0.00 0.11 0.00 0.00 66.00 65.81 2k2e h PRO 110 Cb 0.61 -0.26 0.01 0.00 0.11 0.00 0.00 31.00 31.48 2k2e h PRO 110 CO -0.07 0.76 -0.77 -0.07 -0.21 0.00 0.00 178.00 177.64 2k2e h LEU 111 N 1.19 0.86 -1.29 2.35 3.38 -1.78 -2.92 115.31 117.09 2k2e h LEU 111 Ca 0.41 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2k2e h LEU 111 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2k2e h LEU 111 CO -0.15 1.39 0.36 0.25 0.09 0.00 0.00 178.44 180.37 2k2e h LEU 112 N 0.39 0.74 -1.31 1.67 5.85 0.08 0.10 115.31 122.83 2k2e h LEU 112 Ca -0.07 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2k2e h LEU 112 Cb 1.41 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2k2e h LEU 112 CO 0.16 0.58 -0.32 0.00 -0.34 0.00 0.00 178.44 178.52 2k2e h ALA 113 N 1.54 1.25 -0.00 1.25 0.00 -1.10 -1.44 119.26 120.76 2k2e h ALA 113 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k2e h ALA 113 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k2e h ALA 113 CO -0.04 0.40 -0.10 -1.33 0.00 0.00 0.00 179.25 178.18 2k2e n MET 114 N -3.83 0.07 0.00 0.00 2.81 -0.28 -4.89 117.12 111.00 2k2e n MET 114 Ca -0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2k2e n MET 114 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2k2e n MET 114 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k2e n GLY 115 N 1.47 0.50 3.57 3.03 0.00 -0.54 -5.04 105.19 108.18 2k2e n GLY 115 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 3.86 -0.62 1.61 1.01 0.20 -4.73 120.40 119.72 2k2e s VAL 116 Ca 0.00 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 2k2e s VAL 116 Cb 0.00 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.60 2k2e s VAL 116 CO 0.00 -1.55 1.57 -0.83 0.00 0.00 0.00 175.10 174.29 2k2e s GLY 117 N 3.46 0.61 -0.44 4.51 0.00 -0.26 -3.39 107.32 111.80 2k2e s GLY 117 Ca 0.40 -0.83 -0.23 0.00 0.00 0.00 0.00 44.72 44.06 2k2e s GLY 117 CO 0.21 3.02 0.77 0.14 0.00 0.00 0.00 173.10 177.24 2k2e s VAL 118 N 7.21 4.67 -0.10 1.40 1.01 -1.26 -0.23 120.40 133.10 2k2e s VAL 118 Ca 0.54 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 2k2e s VAL 118 Cb -0.11 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2k2e s VAL 118 CO 0.21 -0.69 -0.07 -1.61 0.00 0.00 0.00 175.10 172.94 2k2e s GLU 119 N 3.23 3.08 -0.20 2.72 0.41 0.51 -4.96 118.70 123.49 2k2e s GLU 119 Ca 0.29 -0.57 -0.05 0.00 -0.41 0.00 0.00 54.97 54.23 2k2e s GLU 119 Cb -0.12 -2.67 -0.03 0.00 -1.78 0.00 0.00 34.13 29.53 2k2e s GLU 119 CO 0.22 0.48 0.01 0.00 -0.49 0.00 0.00 175.26 175.48 2k2e s ALA 120 N -0.32 3.05 0.06 5.21 0.00 -1.26 -0.49 121.76 128.02 2k2e s ALA 120 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2k2e s ALA 120 Cb -0.13 -1.78 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 2k2e s ALA 120 CO 0.02 -0.13 0.07 -1.33 0.00 0.00 0.00 175.76 174.39 2k2e n MET 121 N 4.21 0.10 -2.19 0.00 2.81 0.88 -4.87 117.12 118.07 2k2e n MET 121 Ca -0.17 -0.58 -0.28 0.00 -1.81 0.00 0.00 57.70 54.86 2k2e n MET 121 Cb 0.52 0.52 0.04 0.00 -0.71 0.00 0.00 33.22 33.58 2k2e n MET 121 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2k2e s ASP 122 N -1.43 5.50 0.34 7.83 -4.77 -1.26 -0.19 116.67 122.70 2k2e s ASP 122 Ca 0.07 0.87 0.05 0.00 -3.30 0.00 0.00 52.55 50.24 2k2e s ASP 122 Cb 0.00 -1.77 0.62 0.00 -1.09 0.00 0.00 42.92 40.68 2k2e s ASP 122 CO 0.05 -1.20 1.87 0.74 0.70 0.00 0.00 175.17 177.33 2k2e h THR 123 N -0.38 1.20 -0.01 2.11 2.02 -1.79 -0.86 112.91 115.19 2k2e h THR 123 Ca -0.45 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.85 2k2e h THR 123 Cb 1.26 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2k2e h THR 123 CO 0.62 0.27 -0.26 -0.61 0.37 0.00 0.00 175.52 175.91 2k2e h GLN 124 N 0.46 0.19 -0.57 6.66 4.15 -1.93 -1.70 115.11 122.36 2k2e h GLN 124 Ca 0.10 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 2k2e h GLN 124 Cb 0.35 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2k2e h GLN 124 CO 0.01 0.91 0.16 0.00 -1.93 0.00 0.00 178.83 177.99 2k2e h ALA 125 N 0.28 1.21 -0.55 3.38 0.00 -1.94 -1.95 119.26 119.69 2k2e h ALA 125 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2k2e h ALA 125 Cb 1.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2k2e h ALA 125 CO 0.05 0.55 0.25 0.00 0.00 0.00 0.00 179.25 180.11 2k2e h ALA 126 N 1.34 0.72 -0.39 0.00 0.00 -1.14 -0.62 119.26 119.16 2k2e h ALA 126 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k2e h ALA 126 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k2e h ALA 126 CO -0.01 0.29 0.21 0.00 0.00 0.00 0.00 179.25 179.74 2k2e h ALA 127 N 1.09 0.50 0.13 0.00 0.00 -0.94 0.22 119.26 120.27 2k2e h ALA 127 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k2e h ALA 127 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k2e h ALA 127 CO -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 2k2e h ARG 128 N 0.50 -0.17 -0.81 0.00 3.08 -1.19 -2.23 114.38 113.57 2k2e h ARG 128 Ca 0.14 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2k2e h ARG 128 Cb 0.08 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2k2e h ARG 128 CO -0.02 -0.11 0.39 1.15 -1.07 0.00 0.00 179.97 180.31 2k2e h THR 129 N -0.18 1.25 -0.17 2.04 2.02 -0.95 -2.69 112.91 114.24 2k2e h THR 129 Ca -0.02 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.50 2k2e h THR 129 Cb 0.14 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 2k2e h THR 129 CO 0.03 0.30 -0.02 0.22 0.37 0.00 0.00 175.52 176.42 2k2e h TYR 130 N 1.15 -0.04 -0.50 3.16 3.20 -0.34 0.27 116.97 123.86 2k2e h TYR 130 Ca 0.28 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2k2e h TYR 130 Cb 0.10 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2k2e h TYR 130 CO 0.01 -0.04 0.31 -0.91 -1.64 0.00 0.00 178.16 175.89 2k2e h ASN 131 N 0.03 0.59 -0.28 -2.11 2.35 -1.18 0.13 115.58 115.12 2k2e h ASN 131 Ca 0.08 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2k2e h ASN 131 Cb 0.11 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2k2e h ASN 131 CO -0.15 0.45 -0.13 0.40 -1.65 0.00 0.00 177.43 176.35 2k2e h ILE 132 N 0.67 1.30 -0.43 2.81 2.04 -1.19 -2.38 117.51 120.32 2k2e h ILE 132 Ca 0.18 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 2k2e h ILE 132 Cb -0.04 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2k2e h ILE 132 CO -0.04 0.38 -0.12 0.25 0.00 0.00 0.00 178.15 178.63 2k2e h LEU 133 N 0.31 0.78 -1.04 1.44 5.85 -0.27 -1.98 115.31 120.40 2k2e h LEU 133 Ca 0.06 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2k2e h LEU 133 Cb 0.64 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2k2e h LEU 133 CO 0.04 0.92 0.17 -0.03 -0.34 0.00 0.00 178.44 179.20 2k2e h MET 134 N 0.71 0.86 0.00 1.25 4.05 -0.70 -2.21 114.93 118.89 2k2e h MET 134 Ca 0.12 -0.16 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 2k2e h MET 134 Cb 0.61 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2k2e h MET 134 CO 0.04 0.75 -0.30 0.00 0.23 0.00 0.00 176.91 177.63 2k2e h ALA 135 N 1.35 1.42 -0.39 0.39 0.00 -0.83 -1.63 119.26 119.57 2k2e h ALA 135 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2k2e h ALA 135 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k2e h ALA 135 CO -0.01 0.37 0.06 0.93 0.00 0.00 0.00 179.25 180.60 2k2e h GLU 136 N 0.00 0.59 0.00 0.00 5.08 -0.77 -3.47 114.58 116.01 2k2e h GLU 136 Ca -0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k2e h GLU 136 Cb 0.55 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k2e h GLU 136 CO 0.04 0.57 0.00 0.41 -1.00 0.00 0.00 179.01 179.03 2k2e n GLY 137 N -0.94 0.97 3.83 -3.84 0.00 -0.61 -5.09 105.19 99.50 2k2e n GLY 137 Ca 0.02 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.36 3.78 -0.28 1.61 0.52 -1.23 -5.02 118.95 117.97 2k2e s ARG 138 Ca 0.00 0.02 -0.28 0.00 -0.52 0.00 0.00 55.73 54.94 2k2e s ARG 138 Cb 0.00 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2k2e s ARG 138 CO 0.00 0.61 1.93 1.03 0.02 0.00 0.00 175.30 178.88 2k2e s ARG 139 N -0.61 3.32 -0.03 3.54 0.52 -1.26 -4.63 118.95 119.80 2k2e s ARG 139 Ca 0.16 1.67 0.03 0.00 -0.52 0.00 0.00 55.73 57.07 2k2e s ARG 139 Cb -0.13 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.10 2k2e s ARG 139 CO 0.05 -1.88 -0.12 0.54 0.02 0.00 0.00 175.30 173.92 2k2e s VAL 140 N 7.17 1.01 -0.06 3.52 0.11 -1.26 -0.47 120.40 130.43 2k2e s VAL 140 Ca 0.86 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 2k2e s VAL 140 Cb -0.26 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 2k2e s VAL 140 CO 0.34 0.30 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.68 2k2e s VAL 141 N 0.14 3.87 -0.07 2.04 1.01 -0.82 -4.29 120.40 122.28 2k2e s VAL 141 Ca -0.03 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2k2e s VAL 141 Cb -0.10 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2k2e s VAL 141 CO 0.01 0.56 -0.22 0.54 0.00 0.00 0.00 175.10 175.99 2k2e s VAL 142 N -0.87 1.82 -0.26 2.92 0.11 -0.01 -0.39 120.40 123.72 2k2e s VAL 142 Ca 0.14 -0.91 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2k2e s VAL 142 Cb -0.11 -1.57 0.03 0.00 -1.53 0.00 0.00 36.38 33.20 2k2e s VAL 142 CO 0.03 0.51 -0.05 0.00 -3.33 0.00 0.00 175.10 172.26 2k2e s ALA 143 N 0.14 2.71 -0.16 1.54 0.00 0.65 -0.66 121.76 125.97 2k2e s ALA 143 Ca -0.10 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 2k2e s ALA 143 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 2k2e s ALA 143 CO 0.05 -0.92 -0.12 -0.51 0.00 0.00 0.00 175.76 174.26 2k2e s LEU 144 N 1.30 2.62 -0.28 0.00 1.43 0.14 0.43 118.68 124.32 2k2e s LEU 144 Ca -0.01 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 2k2e s LEU 144 Cb -0.17 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2k2e s LEU 144 CO -0.04 0.08 0.29 -0.76 0.23 0.00 0.00 176.35 176.15 2k2e s LEU 145 N 0.86 4.07 0.44 1.79 1.43 -0.77 -2.10 118.68 124.39 2k2e s LEU 145 Ca -0.04 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2k2e s LEU 145 Cb -0.15 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 2k2e s LEU 145 CO -0.00 -0.14 0.71 -2.16 0.23 0.00 0.00 176.35 174.99 2k2e s PRO 146 N 1.92 3.50 -0.01 1.29 0.04 -1.26 -4.13 135.00 136.35 2k2e s PRO 146 Ca 0.11 0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.13 2k2e s PRO 146 Cb -0.16 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.91 2k2e s PRO 146 CO 0.11 -0.10 0.04 -3.47 0.04 0.00 0.00 177.00 173.61 2k2e n ASP 147 N -2.10 -6.65 0.00 6.66 2.03 -1.11 -4.93 116.55 110.45 2k2e n ASP 147 Ca -0.01 1.39 0.00 0.00 0.52 0.00 0.00 54.79 56.69 2k2e n ASP 147 Cb 0.56 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2e n GLY 148 N 1.42 0.12 0.14 0.27 0.00 -1.26 -4.58 105.19 101.29 2k2e n GLY 148 Ca -0.06 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 0.76 -3.48 1.61 5.19 -1.86 -3.43 116.42 115.21 2k2e h ASP 149 Ca 0.00 -0.93 -0.58 0.00 -0.62 0.00 0.00 57.03 54.90 2k2e h ASP 149 Cb 0.00 -0.25 -0.09 0.00 0.18 0.00 0.00 39.33 39.17 2k2e h ASP 149 CO 0.00 1.67 0.74 -0.55 -3.12 0.00 0.00 179.24 177.98 2k2e s SER 150 N -7.45 6.48 0.23 6.45 0.15 -1.26 -5.01 113.70 113.29 2k2e s SER 150 Ca -0.11 0.09 0.08 0.00 0.70 0.00 0.00 55.95 56.71 2k2e s SER 150 Cb 0.04 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2k2e s SER 150 CO 0.91 -1.22 0.03 -0.76 1.20 0.00 0.00 173.24 173.41 2k2e s LEU 151 N 4.20 3.36 -0.26 3.45 1.43 -1.26 -4.82 118.68 124.78 2k2e s LEU 151 Ca 0.39 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 2k2e s LEU 151 Cb -0.09 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2k2e s LEU 151 CO 0.26 0.03 0.17 -0.70 0.23 0.00 0.00 176.35 176.34 2k2e s GLU 152 N -3.41 4.01 0.25 1.70 2.12 -1.26 -5.09 118.70 117.03 2k2e s GLU 152 Ca 0.30 -0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.27 2k2e s GLU 152 Cb -0.08 -3.59 -0.06 0.00 0.26 0.00 0.00 34.13 30.67 2k2e s GLU 152 CO 0.20 -0.04 0.53 -1.01 -0.54 0.00 0.00 175.26 174.40 2k2e s HIS 153 N 1.35 3.46 0.29 5.30 3.76 -1.26 -5.00 115.29 123.19 2k2e s HIS 153 Ca 0.07 0.70 -0.01 0.00 -0.15 0.00 0.00 55.06 55.67 2k2e s HIS 153 Cb -0.15 -2.14 0.43 0.00 1.11 0.00 0.00 32.58 31.83 2k2e s HIS 153 CO 0.07 0.23 1.84 1.25 -0.85 0.00 0.00 174.74 177.29 2k2e h HIS 154 N 2.07 0.84 0.00 1.40 2.76 -2.02 -1.51 115.15 118.68 2k2e h HIS 154 Ca -0.47 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 2k2e h HIS 154 Cb 1.18 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2k2e h HIS 154 CO 0.59 0.69 0.00 1.58 -1.30 0.00 0.00 177.93 179.49 2k2e n HIS 155 N -4.29 0.00 1.36 5.26 -0.00 -1.26 -3.08 115.22 113.20 2k2e n HIS 155 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.78 2k2e n HIS 155 Cb 0.21 -0.23 0.06 0.00 -0.00 0.00 0.00 29.99 30.03 2k2e n HIS 155 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k2e n HIS 156 N -1.23 0.21 -0.06 1.57 -0.00 -0.57 -2.85 115.22 112.30 2k2e n HIS 156 Ca 0.16 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.72 57.71 2k2e n HIS 156 Cb 0.20 -0.05 -0.09 0.00 -0.00 0.00 0.00 29.99 30.06 2k2e n HIS 156 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k2e n HIS 157 N -0.08 0.00 -1.14 1.57 -0.00 -1.18 -4.99 115.22 109.41 2k2e n HIS 157 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2k2e n HIS 157 Cb 0.19 -0.59 0.00 0.00 -0.00 0.00 0.00 29.99 29.59 2k2e n HIS 157 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92