#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 2.15 -0.03 3.17 1.02 -1.26 -5.06 119.74 119.73 2k2e s LYS 2 Ca 0.00 -1.82 0.03 0.00 0.02 0.00 0.00 55.97 54.20 2k2e s LYS 2 Cb 0.00 -3.69 -0.00 0.00 -0.52 0.00 0.00 37.83 33.62 2k2e s LYS 2 CO 0.00 -1.11 -0.11 -1.17 -0.92 0.00 0.00 175.35 172.04 2k2e s LEU 3 N 1.18 1.85 0.00 3.17 2.96 -1.26 -5.02 118.68 121.57 2k2e s LEU 3 Ca 0.08 -0.23 0.28 0.00 -0.22 0.00 0.00 54.13 54.04 2k2e s LEU 3 Cb -0.24 -0.65 1.13 0.00 0.50 0.00 0.00 46.19 46.92 2k2e s LEU 3 CO -0.03 0.10 1.79 1.41 -1.32 0.00 0.00 176.35 178.30 2k2e n HIS 4 N 3.17 0.00 0.19 5.38 8.25 -1.26 -3.05 115.22 127.90 2k2e n HIS 4 Ca -0.17 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.33 2k2e n HIS 4 Cb 0.54 -0.10 0.34 0.00 1.12 0.00 0.00 29.99 31.89 2k2e n HIS 4 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2k2e h THR 5 N 1.13 0.99 -3.66 1.59 2.02 -2.03 -3.44 112.91 109.50 2k2e h THR 5 Ca 0.00 -1.52 -0.51 0.00 0.77 0.00 0.00 66.41 65.15 2k2e h THR 5 Cb 0.40 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2k2e h THR 5 CO 0.00 0.39 0.45 -0.62 0.37 0.00 0.00 175.52 176.11 2k2e s ASP 6 N -6.54 7.33 0.13 4.18 2.15 -1.17 -4.99 116.67 117.77 2k2e s ASP 6 Ca -0.01 2.10 -0.31 0.00 0.43 0.00 0.00 52.55 54.77 2k2e s ASP 6 Cb 0.12 -2.61 -0.10 0.00 -0.30 0.00 0.00 42.92 40.03 2k2e s ASP 6 CO 0.70 -0.14 1.63 -2.16 -0.17 0.00 0.00 175.17 175.03 2k2e s PRO 7 N -0.77 4.20 -0.24 4.34 0.04 -1.26 -4.88 135.00 136.42 2k2e s PRO 7 Ca 0.47 2.39 -0.29 0.00 0.04 0.00 0.00 61.00 63.61 2k2e s PRO 7 Cb -0.29 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 2k2e s PRO 7 CO 0.36 -0.68 2.23 0.00 0.04 0.00 0.00 177.00 178.96 2k2e n ALA 8 N 4.65 1.70 -1.81 8.56 0.00 -1.26 -4.91 120.51 127.43 2k2e n ALA 8 Ca 0.15 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2k2e n ALA 8 Cb 0.39 -2.90 -0.03 0.00 0.00 0.00 0.00 19.45 16.91 2k2e n ALA 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k2e s THR 9 N 8.41 2.28 -0.95 0.00 2.01 -1.26 -4.88 115.64 121.26 2k2e s THR 9 Ca 1.02 0.20 -0.24 0.00 0.31 0.00 0.00 61.69 62.98 2k2e s THR 9 Cb -0.38 -3.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2k2e s THR 9 CO 0.36 0.02 1.96 0.00 -0.69 0.00 0.00 174.62 176.27 2k2e s ALA 10 N 0.98 1.65 -0.57 7.40 0.00 -1.26 -4.90 121.76 125.06 2k2e s ALA 10 Ca 0.71 -1.59 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 2k2e s ALA 10 Cb -0.47 -4.58 0.10 0.00 0.00 0.00 0.00 23.12 18.18 2k2e s ALA 10 CO 0.34 -4.92 0.64 -0.51 0.00 0.00 0.00 175.76 171.31 2k2e s LEU 11 N 10.39 5.50 -0.29 0.00 1.43 -1.26 0.02 118.68 134.46 2k2e s LEU 11 Ca 0.70 -1.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.09 2k2e s LEU 11 Cb -0.06 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2k2e s LEU 11 CO 0.02 -1.02 2.00 0.20 0.23 0.00 0.00 176.35 177.78 2k2e s ASN 12 N 3.46 5.63 -0.09 2.29 0.01 -1.26 -4.95 114.94 120.03 2k2e s ASN 12 Ca 0.10 1.53 0.04 0.00 -0.71 0.00 0.00 52.86 53.81 2k2e s ASN 12 Cb -0.25 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 38.88 2k2e s ASN 12 CO 0.06 -1.88 -0.20 -0.89 -1.51 0.00 0.00 177.10 172.69 2k2e s THR 13 N 7.75 2.46 -0.29 1.60 2.01 -1.26 -4.87 115.64 123.03 2k2e s THR 13 Ca 0.89 -0.90 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 2k2e s THR 13 Cb -0.27 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 2k2e s THR 13 CO 0.34 0.56 1.89 -0.69 -0.69 0.00 0.00 174.62 176.02 2k2e s VAL 14 N 0.03 3.37 -0.08 3.82 1.01 -1.26 -1.16 120.40 126.13 2k2e s VAL 14 Ca -0.08 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 2k2e s VAL 14 Cb -0.15 -3.49 -0.29 0.00 0.00 0.00 0.00 36.38 32.45 2k2e s VAL 14 CO 0.05 -0.31 0.73 0.74 0.00 0.00 0.00 175.10 176.31 2k2e h THR 15 N 6.84 1.32 -3.86 3.92 2.02 0.05 -3.48 112.91 119.72 2k2e h THR 15 Ca -0.36 -2.46 -0.16 0.00 0.77 0.00 0.00 66.41 64.20 2k2e h THR 15 Cb 1.18 2.98 -0.20 0.00 -1.74 0.00 0.00 68.15 70.37 2k2e h THR 15 CO 1.01 0.69 -0.64 0.00 0.37 0.00 0.00 175.52 176.95 2k2e s ALA 16 N -2.43 0.01 -0.07 6.16 0.00 -0.89 -5.03 121.76 119.51 2k2e s ALA 16 Ca -0.17 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2k2e s ALA 16 Cb 0.02 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2k2e s ALA 16 CO 0.79 -0.19 -0.12 -0.47 0.00 0.00 0.00 175.76 175.77 2k2e s TYR 17 N -1.59 1.52 0.00 0.00 5.04 -1.26 -0.59 117.35 120.47 2k2e s TYR 17 Ca -0.14 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 53.89 2k2e s TYR 17 Cb -0.08 -1.13 0.00 0.00 0.35 0.00 0.00 41.96 41.10 2k2e s TYR 17 CO -0.01 -0.32 0.00 0.41 -1.34 0.00 0.00 175.55 174.29 2k2e n GLY 18 N 3.96 4.41 0.18 8.97 0.00 -0.19 -5.01 105.19 117.52 2k2e n GLY 18 Ca -0.21 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 2k2e n GLY 18 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k2e h ASP 19 N 0.00 -0.33 -0.37 1.61 5.19 -2.02 -3.37 116.42 117.13 2k2e h ASP 19 Ca 0.00 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.30 2k2e h ASP 19 Cb 0.00 0.09 -0.07 0.00 0.18 0.00 0.00 39.33 39.52 2k2e h ASP 19 CO 0.00 0.06 0.02 0.61 -3.12 0.00 0.00 179.24 176.81 2k2e n GLY 20 N 0.70 4.44 3.44 2.75 0.00 -1.26 -3.84 105.19 111.42 2k2e n GLY 20 Ca -0.05 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.05 -0.62 -0.17 1.61 1.13 -1.26 -4.44 117.35 110.55 2k2e s TYR 21 Ca 0.45 1.48 0.01 0.00 -1.41 0.00 0.00 57.07 57.60 2k2e s TYR 21 Cb 0.38 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.49 2k2e s TYR 21 CO 0.05 -0.30 -0.19 0.42 -2.51 0.00 0.00 175.55 173.01 2k2e s ILE 22 N 0.42 1.97 -0.54 -3.49 1.01 0.49 -1.02 121.20 120.05 2k2e s ILE 22 Ca -0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 2k2e s ILE 22 Cb -0.04 -1.78 0.09 0.00 0.01 0.00 0.00 42.46 40.73 2k2e s ILE 22 CO -0.01 0.53 0.60 -0.70 0.00 0.00 0.00 174.94 175.36 2k2e s GLU 23 N 1.23 3.05 -0.16 2.79 2.12 0.24 -0.29 118.70 127.69 2k2e s GLU 23 Ca 0.03 -1.22 -0.03 0.00 0.36 0.00 0.00 54.97 54.10 2k2e s GLU 23 Cb -0.13 -4.19 -0.02 0.00 0.26 0.00 0.00 34.13 30.04 2k2e s GLU 23 CO -0.11 -1.32 -0.06 0.08 -0.54 0.00 0.00 175.26 173.31 2k2e s VAL 24 N 2.37 3.64 -1.68 3.70 1.01 0.55 0.80 120.40 130.80 2k2e s VAL 24 Ca 0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2k2e s VAL 24 Cb -0.23 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2k2e s VAL 24 CO 0.08 0.49 0.02 0.59 0.00 0.00 0.00 175.10 176.27 2k2e n ASN 25 N 3.74 -5.65 -0.48 3.32 4.13 -0.31 -0.65 115.26 119.35 2k2e n ASN 25 Ca -0.18 -0.03 -0.06 0.00 1.68 0.00 0.00 54.58 55.99 2k2e n ASN 25 Cb 0.52 -4.68 -0.03 0.00 -1.54 0.00 0.00 39.78 34.06 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2e n GLN 26 N -2.92 -0.92 -3.94 3.52 6.02 -1.26 -5.00 117.38 112.88 2k2e n GLN 26 Ca -0.23 0.62 -0.35 0.00 -0.01 0.00 0.00 57.00 57.02 2k2e n GLN 26 Cb 0.68 -4.52 -0.13 0.00 1.02 0.00 0.00 30.24 27.28 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 -1.99 3.81 -0.42 5.09 1.01 0.17 -5.07 120.40 123.01 2k2e s VAL 27 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 2k2e s VAL 27 Cb 0.00 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.65 2k2e s VAL 27 CO 0.00 0.40 0.81 -0.13 0.00 0.00 0.00 175.10 176.19 2k2e s ARG 28 N 1.34 3.57 -0.25 2.72 0.52 -1.26 -0.33 118.95 125.26 2k2e s ARG 28 Ca 0.04 0.11 -0.10 0.00 -0.52 0.00 0.00 55.73 55.26 2k2e s ARG 28 Cb -0.15 -3.89 -0.05 0.00 0.52 0.00 0.00 34.95 31.39 2k2e s ARG 28 CO 0.00 -1.03 0.15 -0.06 0.02 0.00 0.00 175.30 174.39 2k2e s PHE 29 N 3.31 3.28 -0.34 -0.53 0.08 0.61 -4.89 117.98 119.49 2k2e s PHE 29 Ca 0.32 0.16 0.10 0.00 0.12 0.00 0.00 56.93 57.63 2k2e s PHE 29 Cb -0.12 -2.28 0.71 0.00 -0.57 0.00 0.00 43.02 40.76 2k2e s PHE 29 CO 0.21 0.00 1.68 -1.13 -0.10 0.00 0.00 175.22 175.88 2k2e n SER 30 N 4.44 4.89 -3.83 1.36 3.41 -1.26 -0.38 113.62 122.25 2k2e n SER 30 Ca -0.15 -3.00 -0.10 0.00 -0.26 0.00 0.00 58.87 55.36 2k2e n SER 30 Cb 0.52 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.69 0.48 0.30 7.33 0.00 -1.26 -4.86 115.29 114.58 2k2e s HIS 31 Ca 0.50 -0.83 -0.30 0.00 -3.00 0.00 0.00 55.06 51.43 2k2e s HIS 31 Cb 0.39 0.17 -0.12 0.00 -4.00 0.00 0.00 32.58 29.02 2k2e s HIS 31 CO 0.13 -1.04 1.55 0.00 -1.00 0.00 0.00 174.74 174.38 2k2e n ALA 32 N -0.42 2.29 -2.94 -1.38 0.00 -1.26 -4.65 120.51 112.15 2k2e n ALA 32 Ca -0.01 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 2k2e n ALA 32 Cb 0.62 -2.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 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 -0.20 0.05 -0.12 0.00 -4.36 -0.59 -0.91 121.20 115.06 2k2e s ILE 33 Ca 0.63 -0.42 0.01 0.00 -0.26 0.00 0.00 60.65 60.60 2k2e s ILE 33 Cb -0.52 -0.16 0.02 0.00 1.25 0.00 0.00 42.46 43.05 2k2e s ILE 33 CO 0.51 -0.23 -0.13 0.00 0.24 0.00 0.00 174.94 175.33 2k2e s ALA 34 N -0.69 1.66 0.03 2.27 0.00 0.27 -0.48 121.76 124.82 2k2e s ALA 34 Ca -0.08 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 2k2e s ALA 34 Cb -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 2k2e s ALA 34 CO -0.00 -0.27 0.10 -0.59 0.00 0.00 0.00 175.76 175.00 2k2e s PHE 35 N 1.34 0.17 0.05 0.00 -0.71 -0.33 -0.01 117.98 118.49 2k2e s PHE 35 Ca 0.00 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.47 2k2e s PHE 35 Cb -0.14 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2k2e s PHE 35 CO -0.07 -0.34 -0.03 0.00 -1.34 0.00 0.00 175.22 173.44 2k2e s ALA 36 N -2.28 0.51 0.29 1.99 0.00 -1.25 -1.79 121.76 119.23 2k2e s ALA 36 Ca -0.08 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2k2e s ALA 36 Cb -0.03 0.24 -0.12 0.00 0.00 0.00 0.00 23.12 23.21 2k2e s ALA 36 CO -0.03 -0.32 1.56 -0.35 0.00 0.00 0.00 175.76 176.61 2k2e n PRO 37 N 0.31 2.57 -1.21 0.00 -0.04 -1.26 -1.68 135.00 133.70 2k2e n PRO 37 Ca -0.15 0.91 -0.07 0.00 -0.04 0.00 0.00 63.50 64.15 2k2e n PRO 37 Cb 0.60 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 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 2.07 -0.81 -4.32 0.54 1.02 0.10 -4.99 120.64 114.25 2k2e n GLU 38 Ca 0.09 0.67 -0.16 0.00 -0.02 0.00 0.00 57.16 57.74 2k2e n GLU 38 Cb 0.36 -4.56 -0.10 0.00 -0.02 0.00 0.00 31.44 27.12 2k2e n GLU 38 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k2e s GLY 39 N -2.61 1.70 0.92 0.62 0.00 -0.67 -5.02 107.32 102.25 2k2e s GLY 39 Ca 0.00 -1.85 -0.14 0.00 0.00 0.00 0.00 44.72 42.73 2k2e s GLY 39 CO 0.00 -1.60 1.27 2.56 0.00 0.00 0.00 173.10 175.33 2k2e s PRO 40 N -4.02 0.89 -0.48 2.90 0.04 -1.26 -4.57 135.00 128.50 2k2e s PRO 40 Ca 0.37 -0.45 -0.13 0.00 0.04 0.00 0.00 61.00 60.82 2k2e s PRO 40 Cb 0.08 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.80 2k2e s PRO 40 CO 0.13 -2.22 0.38 0.08 0.04 0.00 0.00 177.00 175.41 2k2e s VAL 41 N -3.77 4.81 0.07 -0.36 1.01 -1.26 -3.96 120.40 116.94 2k2e s VAL 41 Ca 0.72 -1.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 2k2e s VAL 41 Cb -0.05 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2k2e s VAL 41 CO 0.52 -0.68 0.87 0.00 0.00 0.00 0.00 175.10 175.80 2k2e s ALA 42 N 1.53 3.30 -0.23 5.51 0.00 0.98 -4.87 121.76 127.99 2k2e s ALA 42 Ca 0.04 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 2k2e s ALA 42 Cb -0.26 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2k2e s ALA 42 CO 0.03 0.01 1.16 -1.54 0.00 0.00 0.00 175.76 175.42 2k2e s SER 43 N 0.01 6.96 -0.27 0.00 1.04 -1.26 -0.56 113.70 119.61 2k2e s SER 43 Ca 0.43 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 58.16 2k2e s SER 43 Cb -0.22 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 2k2e s SER 43 CO 0.26 -0.78 0.27 0.86 0.98 0.00 0.00 173.24 174.82 2k2e s TRP 44 N 3.52 3.24 -0.34 5.02 -0.00 -0.09 -4.93 118.94 125.35 2k2e s TRP 44 Ca 0.50 0.25 0.00 0.00 -0.00 0.00 0.00 56.10 56.85 2k2e s TRP 44 Cb -0.17 -2.45 0.00 0.00 -0.00 0.00 0.00 33.47 30.84 2k2e s TRP 44 CO 0.13 -0.18 0.71 -2.30 -0.00 0.00 0.00 176.95 175.31 2k2e n PRO 45 N 5.12 0.86 -3.57 5.86 -0.02 -1.26 -4.17 135.00 137.83 2k2e n PRO 45 Ca -0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 2k2e n PRO 45 Cb 0.51 -1.19 -0.11 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.25 4.77 -0.20 -1.45 1.01 -1.26 -4.84 120.40 118.18 2k2e s VAL 46 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2k2e s VAL 46 Cb 0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2k2e s VAL 46 CO 0.00 -0.21 0.23 0.00 0.00 0.00 0.00 175.10 175.12 2k2e n GLN 47 N 5.04 3.02 -3.94 2.72 6.02 -1.26 -4.52 117.38 124.45 2k2e n GLN 47 Ca -0.12 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.49 2k2e n GLN 47 Cb 0.47 -0.95 -0.08 0.00 1.02 0.00 0.00 30.24 30.70 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 -1.96 3.68 0.42 -1.09 0.52 -1.26 -4.89 118.95 114.37 2k2e s ARG 48 Ca 0.01 -0.24 0.08 0.00 -0.52 0.00 0.00 55.73 55.06 2k2e s ARG 48 Cb 0.05 -3.20 0.88 0.00 0.52 0.00 0.00 34.95 33.21 2k2e s ARG 48 CO 0.28 0.54 2.05 -1.35 0.02 0.00 0.00 175.30 176.84 2k2e h PRO 49 N 5.81 0.47 -0.54 3.54 0.11 -1.94 -1.82 132.00 137.62 2k2e h PRO 49 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k2e h PRO 49 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k2e h PRO 49 CO 0.65 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 2k2e n ALA 50 N -2.48 2.41 0.08 -0.75 0.00 -1.26 -4.04 120.51 114.47 2k2e n ALA 50 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2k2e n ALA 50 Cb 0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 2k2e n ALA 50 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k2e h ASP 51 N 3.31 0.00 -1.57 0.00 1.82 -1.73 -3.45 116.42 114.80 2k2e h ASP 51 Ca 0.00 0.00 -0.62 0.00 -0.39 0.00 0.00 57.03 56.02 2k2e h ASP 51 Cb 0.76 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 2k2e h ASP 51 CO 0.00 0.59 1.47 -0.38 -1.61 0.00 0.00 179.24 179.30 2k2e n ILE 52 N -3.07 0.26 -4.25 2.25 5.41 -1.25 -4.95 119.36 113.76 2k2e n ILE 52 Ca -0.04 -0.38 -0.26 0.00 1.00 0.00 0.00 62.75 63.07 2k2e n ILE 52 Cb 0.81 -2.16 -0.08 0.00 -0.71 0.00 0.00 39.64 37.50 2k2e n ILE 52 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2k2e s THR 53 N 7.96 3.51 0.32 1.39 2.01 -1.26 -5.02 115.64 124.54 2k2e s THR 53 Ca 1.05 -1.58 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2k2e s THR 53 Cb -0.57 -2.77 0.29 0.00 0.01 0.00 0.00 72.50 69.46 2k2e s THR 53 CO 0.41 -0.16 1.91 0.00 -0.69 0.00 0.00 174.62 176.09 2k2e h ALA 54 N 2.62 1.59 -0.76 7.40 0.00 -1.93 0.21 119.26 128.38 2k2e h ALA 54 Ca -0.46 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.49 2k2e h ALA 54 Cb 1.21 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2k2e h ALA 54 CO 0.57 0.25 0.46 1.03 0.00 0.00 0.00 179.25 181.57 2k2e h SER 55 N 0.93 0.72 0.61 0.00 0.87 -1.95 -1.35 113.55 113.39 2k2e h SER 55 Ca 0.40 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.90 2k2e h SER 55 Cb 0.31 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2k2e h SER 55 CO -0.16 0.47 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.17 2k2e h LEU 56 N 0.86 0.00 -0.58 2.23 3.38 -1.39 -2.31 115.31 117.50 2k2e h LEU 56 Ca 0.33 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.15 2k2e h LEU 56 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k2e h LEU 56 CO -0.16 0.37 -0.56 -0.07 0.09 0.00 0.00 178.44 178.11 2k2e h LEU 57 N 0.00 0.50 -0.72 1.67 3.38 -0.37 -0.92 115.31 118.85 2k2e h LEU 57 Ca -0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2k2e h LEU 57 Cb 0.77 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2k2e h LEU 57 CO 0.05 0.96 0.27 1.56 0.09 0.00 0.00 178.44 181.37 2k2e h GLN 58 N 0.34 1.09 -0.37 1.13 4.20 -0.74 -0.69 115.11 120.07 2k2e h GLN 58 Ca 0.00 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 2k2e h GLN 58 Cb 1.08 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2k2e h GLN 58 CO 0.10 0.90 -0.01 1.96 -0.67 0.00 0.00 178.83 181.11 2k2e h GLN 59 N 1.04 0.66 0.00 1.46 4.20 -1.33 -2.93 115.11 118.21 2k2e h GLN 59 Ca 0.24 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2k2e h GLN 59 Cb 0.24 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k2e h GLN 59 CO -0.02 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 178.91 2k2e h ALA 60 N 0.87 1.00 0.00 3.87 0.00 -0.86 -1.71 119.26 122.43 2k2e h ALA 60 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k2e h ALA 60 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k2e h ALA 60 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2k2e n ALA 61 N -2.05 2.30 -0.33 0.00 0.00 -0.29 -4.79 120.51 115.35 2k2e n ALA 61 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k2e n ALA 61 Cb 0.25 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.95 1.00 1.47 0.00 0.00 -0.64 -4.86 105.19 103.10 2k2e n GLY 62 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 4.83 -0.01 0.99 4.77 -1.20 -3.46 117.00 122.93 2k2e n LEU 63 Ca 0.00 -2.37 0.08 0.00 -0.03 0.00 0.00 56.01 53.69 2k2e n LEU 63 Cb 0.00 -0.85 -0.12 0.00 -2.33 0.00 0.00 43.42 40.12 2k2e n LEU 63 CO 0.00 0.87 -0.55 0.00 -1.33 0.00 0.00 177.39 176.38 2k2e n ALA 64 N 0.61 3.00 -2.77 -1.18 0.00 -1.26 -4.84 120.51 114.06 2k2e n ALA 64 Ca 0.12 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 2k2e n ALA 64 Cb 0.63 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 2k2e n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k2e s GLU 65 N -3.05 3.08 -0.00 0.00 2.02 -1.22 -5.13 118.70 114.39 2k2e s GLU 65 Ca -0.03 -1.00 0.06 0.00 0.02 0.00 0.00 54.97 54.02 2k2e s GLU 65 Cb 0.11 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 2k2e s GLU 65 CO 0.71 0.32 -0.18 0.14 0.02 0.00 0.00 175.26 176.26 2k2e s VAL 66 N -2.12 1.45 0.38 2.63 -7.23 -1.26 -5.14 120.40 109.11 2k2e s VAL 66 Ca 0.36 -0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 59.57 2k2e s VAL 66 Cb -0.08 -1.22 -0.07 0.00 0.56 0.00 0.00 36.38 35.57 2k2e s VAL 66 CO 0.27 0.35 0.75 -0.69 -0.31 0.00 0.00 175.10 175.47 2k2e s VAL 67 N -0.51 4.78 0.21 1.32 1.01 -1.26 -5.01 120.40 120.94 2k2e s VAL 67 Ca 0.07 0.65 -0.32 0.00 0.00 0.00 0.00 61.98 62.38 2k2e s VAL 67 Cb -0.07 -3.71 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 2k2e s VAL 67 CO -0.00 -0.45 1.47 0.54 0.00 0.00 0.00 175.10 176.66 2k2e n ARG 68 N -1.11 2.06 -2.25 2.72 1.74 -1.26 -4.88 116.66 113.69 2k2e n ARG 68 Ca 0.02 0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 57.42 2k2e n ARG 68 Cb 0.54 -2.44 -0.02 0.00 -1.02 0.00 0.00 32.46 29.52 2k2e n ARG 68 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k2e s ASP 69 N 0.52 6.84 -0.68 0.55 2.15 -1.26 -4.95 116.67 119.84 2k2e s ASP 69 Ca 0.72 1.96 -0.27 0.00 0.43 0.00 0.00 52.55 55.39 2k2e s ASP 69 Cb -0.67 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.42 2k2e s ASP 69 CO 0.45 -0.80 1.48 -2.84 -0.17 0.00 0.00 175.17 173.29 2k2e s PRO 70 N 3.42 3.03 0.14 4.34 0.02 -1.26 -4.85 135.00 139.84 2k2e s PRO 70 Ca 0.63 0.10 -0.10 0.00 0.02 0.00 0.00 61.00 61.65 2k2e s PRO 70 Cb -0.28 -4.24 -0.03 0.00 0.02 0.00 0.00 34.50 29.97 2k2e s PRO 70 CO 0.22 -2.31 1.46 1.25 -0.33 0.00 0.00 177.00 177.29 2k2e h LEU 71 N 14.10 0.94 -6.20 -5.54 5.85 -2.04 -3.23 115.31 119.19 2k2e h LEU 71 Ca -0.27 -0.47 -0.77 0.00 0.84 0.00 0.00 57.88 57.21 2k2e h LEU 71 Cb 1.09 -0.27 -0.19 0.00 0.37 0.00 0.00 40.66 41.66 2k2e h LEU 71 CO 1.25 1.26 1.73 0.00 -0.34 0.00 0.00 178.44 182.34 2k2e n ALA 72 N -2.55 6.00 -2.12 1.25 0.00 -1.26 -5.00 120.51 116.83 2k2e n ALA 72 Ca -0.03 -4.39 -0.30 0.00 0.00 0.00 0.00 53.44 48.72 2k2e n ALA 72 Cb 0.58 -2.62 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 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 -1.75 3.51 0.23 0.00 -0.71 -1.22 -5.03 117.98 113.01 2k2e s PHE 73 Ca 0.43 1.08 -0.30 0.00 -1.04 0.00 0.00 56.93 57.10 2k2e s PHE 73 Cb 0.14 -2.49 -0.10 0.00 -1.21 0.00 0.00 43.02 39.36 2k2e s PHE 73 CO -0.04 -0.26 1.40 -1.17 -1.34 0.00 0.00 175.22 173.82 2k2e s LEU 74 N -4.25 4.39 0.35 -1.99 2.96 -1.26 -4.89 118.68 114.00 2k2e s LEU 74 Ca 0.52 2.58 0.26 0.00 -0.22 0.00 0.00 54.13 57.28 2k2e s LEU 74 Cb -0.10 -3.62 1.20 0.00 0.50 0.00 0.00 46.19 44.17 2k2e s LEU 74 CO 0.37 -0.65 1.80 0.44 -1.32 0.00 0.00 176.35 176.99 2k2e h ASP 75 N 5.21 0.00 -3.74 3.68 3.32 -2.02 -3.27 116.42 119.60 2k2e h ASP 75 Ca -0.45 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.93 2k2e h ASP 75 Cb 1.22 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.38 2k2e h ASP 75 CO 0.78 0.00 -0.41 -1.61 -1.72 0.00 0.00 179.24 176.28 2k2e s GLU 76 N -3.49 2.59 0.00 3.56 2.02 -1.26 -4.92 118.70 117.19 2k2e s GLU 76 Ca 0.01 -2.95 0.23 0.00 0.02 0.00 0.00 54.97 52.28 2k2e s GLU 76 Cb 0.09 -3.62 1.29 0.00 0.10 0.00 0.00 34.13 31.99 2k2e s GLU 76 CO 0.38 -1.21 1.84 -2.30 0.02 0.00 0.00 175.26 173.99 2k2e n PRO 77 N 2.72 1.11 -3.35 0.39 -0.02 -1.24 -4.66 135.00 129.95 2k2e n PRO 77 Ca 0.14 -0.17 -0.45 0.00 -2.02 0.00 0.00 63.50 60.99 2k2e n PRO 77 Cb 0.36 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 2k2e n PRO 77 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2k2e s GLU 78 N -1.98 2.95 0.72 -0.52 2.02 -1.26 -5.03 118.70 115.60 2k2e s GLU 78 Ca 0.34 -1.63 -0.08 0.00 0.02 0.00 0.00 54.97 53.62 2k2e s GLU 78 Cb 0.16 -4.23 0.06 0.00 0.10 0.00 0.00 34.13 30.22 2k2e s GLU 78 CO 0.27 -1.25 1.05 0.00 0.02 0.00 0.00 175.26 175.36 2k2e s ALA 79 N 1.59 3.02 -1.36 5.21 0.00 -1.26 -4.95 121.76 124.01 2k2e s ALA 79 Ca 0.03 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 2k2e s ALA 79 Cb -0.28 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.13 2k2e s ALA 79 CO 0.04 -1.35 2.13 0.41 0.00 0.00 0.00 175.76 176.99 2k2e n GLY 80 N -3.00 3.92 3.48 0.00 0.00 -1.26 -4.79 105.19 103.53 2k2e n GLY 80 Ca 0.08 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 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 3.66 -1.57 -1.23 4.61 0.00 -1.26 -5.06 121.76 120.92 2k2e s ALA 81 Ca 0.49 2.00 -0.09 0.00 0.00 0.00 0.00 51.96 54.37 2k2e s ALA 81 Cb 0.12 -1.38 -0.12 0.00 0.00 0.00 0.00 23.12 21.75 2k2e s ALA 81 CO -0.04 -0.57 3.08 0.41 0.00 0.00 0.00 175.76 178.64 2k2e n GLY 82 N 4.81 4.03 3.80 0.00 0.00 -1.26 -4.79 105.19 111.78 2k2e n GLY 82 Ca -0.16 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.32 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 1.64 -1.40 0.03 4.61 0.00 -1.26 -5.13 121.76 120.25 2k2e s ALA 83 Ca 0.68 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 2k2e s ALA 83 Cb 0.22 0.77 -0.06 0.00 0.00 0.00 0.00 23.12 24.05 2k2e s ALA 83 CO -0.05 -1.02 1.36 -0.98 0.00 0.00 0.00 175.76 175.07 2k2e s ARG 84 N -3.68 4.31 0.00 0.00 3.03 -1.26 -4.89 118.95 116.47 2k2e s ARG 84 Ca 0.11 1.95 0.00 0.00 2.03 0.00 0.00 55.73 59.82 2k2e s ARG 84 Cb -0.04 -3.48 0.00 0.00 -1.03 0.00 0.00 34.95 30.40 2k2e s ARG 84 CO 0.04 -0.50 0.69 -0.35 -1.13 0.00 0.00 175.30 174.05 2k2e n PRO 85 N 4.90 0.75 0.00 3.89 -0.04 -1.26 -3.33 135.00 139.91 2k2e n PRO 85 Ca 0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2k2e n PRO 85 Cb 0.44 -1.17 0.22 0.00 -0.04 0.00 0.00 33.50 32.95 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e n ALA 86 N 0.54 3.00 -3.42 0.55 0.00 -1.26 -4.95 120.51 114.98 2k2e n ALA 86 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 53.44 52.64 2k2e n ALA 86 Cb 0.34 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.89 2k2e n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k2e n ASN 87 N 0.17 -5.76 -4.71 0.00 5.03 -1.21 -4.92 115.26 103.86 2k2e n ASN 87 Ca 0.13 -0.47 -0.40 0.00 0.87 0.00 0.00 54.58 54.70 2k2e n ASN 87 Cb 0.45 -4.60 0.02 0.00 -1.02 0.00 0.00 39.78 34.62 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k2e n ALA 88 N -4.27 1.36 -1.71 5.41 0.00 -1.26 -4.88 120.51 115.16 2k2e n ALA 88 Ca -0.03 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2k2e n ALA 88 Cb 0.57 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 2k2e n ALA 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k2e n PRO 89 N -0.23 2.45 -0.07 0.00 -0.04 -1.26 -4.90 135.00 130.95 2k2e n PRO 89 Ca 0.07 0.87 -0.06 0.00 -0.04 0.00 0.00 63.50 64.35 2k2e n PRO 89 Cb 0.41 -2.62 0.12 0.00 -0.04 0.00 0.00 33.50 31.38 2k2e n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k2e h GLU 90 N 4.77 0.71 -3.67 0.54 5.08 -0.87 -3.36 114.58 117.78 2k2e h GLU 90 Ca -0.46 -0.27 -0.26 0.00 -1.00 0.00 0.00 59.36 57.37 2k2e h GLU 90 Cb 1.24 -0.04 -0.31 0.00 0.50 0.00 0.00 28.75 30.14 2k2e h GLU 90 CO 0.80 0.86 -0.73 0.54 -1.00 0.00 0.00 179.01 179.48 2k2e s VAL 91 N -4.64 -0.00 -0.22 3.13 0.11 -1.10 -0.40 120.40 117.28 2k2e s VAL 91 Ca -0.09 0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2k2e s VAL 91 Cb 0.13 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.91 2k2e s VAL 91 CO 0.82 0.04 -0.04 -0.22 -3.33 0.00 0.00 175.10 172.38 2k2e s LEU 92 N 0.45 2.92 -0.37 2.54 2.96 0.13 -1.77 118.68 125.55 2k2e s LEU 92 Ca -0.04 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 2k2e s LEU 92 Cb -0.06 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.90 2k2e s LEU 92 CO -0.01 -0.01 0.23 -0.76 -1.32 0.00 0.00 176.35 174.48 2k2e s LEU 93 N 1.42 4.69 -0.36 -0.68 1.43 0.11 -0.20 118.68 125.09 2k2e s LEU 93 Ca 0.05 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 2k2e s LEU 93 Cb -0.14 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 2k2e s LEU 93 CO -0.03 -0.34 0.27 -0.69 0.23 0.00 0.00 176.35 175.79 2k2e s VAL 94 N 1.64 5.27 -0.65 -1.59 1.01 0.35 -0.11 120.40 126.33 2k2e s VAL 94 Ca 0.04 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2k2e s VAL 94 Cb -0.18 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.55 2k2e s VAL 94 CO 0.08 -0.11 0.66 -0.83 0.00 0.00 0.00 175.10 174.90 2k2e s GLY 95 N 1.71 2.12 -0.82 4.51 0.00 0.94 -0.26 107.32 115.53 2k2e s GLY 95 Ca 0.06 -2.64 0.01 0.00 0.00 0.00 0.00 44.72 42.14 2k2e s GLY 95 CO 0.10 1.38 1.61 -1.30 0.00 0.00 0.00 173.10 174.89 2k2e n THR 96 N 5.06 4.38 0.23 0.90 -2.24 0.42 -2.12 114.28 120.90 2k2e n THR 96 Ca -0.04 -5.34 0.07 0.00 -2.27 0.00 0.00 64.05 56.47 2k2e n THR 96 Cb 0.43 -1.40 0.56 0.00 -2.10 0.00 0.00 70.33 67.82 2k2e n THR 96 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2k2e h GLY 97 N 3.44 0.00 1.17 3.38 0.00 -1.80 -0.71 103.07 108.55 2k2e h GLY 97 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 2k2e h GLY 97 CO 1.13 0.00 0.28 -0.09 0.00 0.00 0.00 176.54 177.86 2k2e h ARG 98 N 0.00 1.06 -0.48 4.80 2.43 -1.87 -3.42 114.38 116.90 2k2e h ARG 98 Ca -0.00 -0.18 0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2k2e h ARG 98 Cb 0.34 -0.18 -0.19 0.00 -0.42 0.00 0.00 29.97 29.52 2k2e h ARG 98 CO 0.02 0.86 -0.17 0.50 -1.51 0.00 0.00 179.97 179.67 2k2e s ARG 99 N -5.48 0.33 0.16 0.20 3.52 -0.86 -5.14 118.95 111.68 2k2e s ARG 99 Ca -0.11 0.07 -0.32 0.00 -0.13 0.00 0.00 55.73 55.24 2k2e s ARG 99 Cb 0.16 0.08 -0.11 0.00 -1.56 0.00 0.00 34.95 33.52 2k2e s ARG 99 CO 0.82 -0.54 1.73 -1.14 -0.81 0.00 0.00 175.30 175.37 2k2e s GLN 100 N 2.43 4.15 -0.23 5.12 0.74 -0.33 -4.79 119.66 126.75 2k2e s GLN 100 Ca 0.19 2.55 -0.06 0.00 0.05 0.00 0.00 55.36 58.08 2k2e s GLN 100 Cb -0.02 -3.29 -0.02 0.00 1.10 0.00 0.00 33.01 30.78 2k2e s GLN 100 CO -0.18 -0.76 0.03 -1.58 -0.55 0.00 0.00 175.29 172.25 2k2e s HIS 101 N 1.79 3.05 -0.66 1.67 5.65 -1.26 -5.05 115.29 120.48 2k2e s HIS 101 Ca 0.76 -0.53 -0.28 0.00 0.25 0.00 0.00 55.06 55.26 2k2e s HIS 101 Cb -0.47 -2.18 0.03 0.00 -1.18 0.00 0.00 32.58 28.78 2k2e s HIS 101 CO 0.33 -0.37 1.23 -1.17 -0.65 0.00 0.00 174.74 174.11 2k2e s LEU 102 N 1.46 3.32 0.48 8.88 2.96 -1.26 -4.86 118.68 129.67 2k2e s LEU 102 Ca 0.05 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.57 2k2e s LEU 102 Cb -0.15 -2.87 -0.07 0.00 0.50 0.00 0.00 46.19 43.61 2k2e s LEU 102 CO 0.02 -1.65 1.25 -0.76 -1.32 0.00 0.00 176.35 173.89 2k2e s LEU 103 N 5.32 3.98 0.48 -0.68 1.43 -1.26 -5.03 118.68 122.92 2k2e s LEU 103 Ca 0.39 2.52 0.07 0.00 -1.03 0.00 0.00 54.13 56.08 2k2e s LEU 103 Cb -0.08 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 41.95 2k2e s LEU 103 CO 0.20 -1.15 0.47 -0.83 0.23 0.00 0.00 176.35 175.27 2k2e s GLY 104 N -1.13 2.12 0.17 -3.19 0.00 -1.26 -4.95 107.32 99.08 2k2e s GLY 104 Ca 0.66 -1.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.47 2k2e s GLY 104 CO 0.41 -1.75 1.68 -2.55 0.00 0.00 0.00 173.10 170.89 2k2e h PRO 105 N 0.78 0.05 -0.17 2.90 0.11 -1.98 -1.68 132.00 132.02 2k2e h PRO 105 Ca -0.38 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 2k2e h PRO 105 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2k2e h PRO 105 CO 0.54 0.04 -0.47 1.49 -0.21 0.00 0.00 178.00 179.39 2k2e h GLU 106 N 0.06 0.42 -0.01 1.05 4.81 -2.00 -1.66 114.58 117.25 2k2e h GLU 106 Ca 0.21 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 2k2e h GLU 106 Cb 0.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2k2e h GLU 106 CO -0.39 0.80 -0.42 1.96 -0.73 0.00 0.00 179.01 180.23 2k2e h GLN 107 N 0.34 0.03 -0.00 1.92 4.20 -1.76 -2.96 115.11 116.88 2k2e h GLN 107 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2k2e h GLN 107 Cb 0.95 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2k2e h GLN 107 CO 0.08 0.44 -0.78 1.33 -0.67 0.00 0.00 178.83 179.24 2k2e n VAL 108 N -4.04 0.00 0.01 -0.54 0.24 -0.70 -4.40 118.33 108.90 2k2e n VAL 108 Ca -0.02 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.13 2k2e n VAL 108 Cb 0.45 0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 2k2e n VAL 108 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2k2e h ARG 109 N 0.53 -0.23 -0.95 7.34 3.08 -1.12 0.50 114.38 123.53 2k2e h ARG 109 Ca 0.00 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.30 2k2e h ARG 109 Cb 0.55 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 2k2e h ARG 109 CO 0.00 -0.16 0.63 -1.35 -1.07 0.00 0.00 179.97 178.03 2k2e h PRO 110 N -0.24 0.30 0.11 0.04 0.11 -1.80 0.18 132.00 130.70 2k2e h PRO 110 Ca 0.09 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.83 2k2e h PRO 110 Cb 0.37 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2k2e h PRO 110 CO -0.25 0.20 -1.91 -0.07 -0.21 0.00 0.00 178.00 175.76 2k2e h LEU 111 N 0.31 0.35 -1.49 2.35 3.38 -1.75 -3.30 115.31 115.17 2k2e h LEU 111 Ca 0.49 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2k2e h LEU 111 Cb 1.40 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2k2e h LEU 111 CO -0.16 1.68 0.23 -0.07 0.09 0.00 0.00 178.44 180.21 2k2e h LEU 112 N 0.06 0.51 -1.67 1.67 3.38 0.02 0.20 115.31 119.48 2k2e h LEU 112 Ca -0.39 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2k2e h LEU 112 Cb 2.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 2k2e h LEU 112 CO 0.10 0.42 -0.15 0.00 0.09 0.00 0.00 178.44 178.90 2k2e h ALA 113 N 1.67 1.17 -0.00 1.53 0.00 -0.80 -1.68 119.26 121.14 2k2e h ALA 113 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k2e h ALA 113 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k2e h ALA 113 CO -0.03 0.18 -0.53 -1.33 0.00 0.00 0.00 179.25 177.55 2k2e n MET 114 N -3.50 0.03 -0.14 0.00 2.81 -0.17 -4.92 117.12 111.22 2k2e n MET 114 Ca -0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2k2e n MET 114 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 1.50 0.93 3.54 3.03 0.00 -0.63 -4.91 105.19 108.64 2k2e n GLY 115 Ca 0.06 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 5.03 -0.26 1.61 1.01 0.53 -4.63 120.40 121.69 2k2e s VAL 116 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 2k2e s VAL 116 Cb 0.00 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2k2e s VAL 116 CO 0.00 -0.28 1.05 -0.83 0.00 0.00 0.00 175.10 175.04 2k2e s GLY 117 N 1.79 1.65 -0.31 4.51 0.00 0.46 -3.09 107.32 112.33 2k2e s GLY 117 Ca 0.17 0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.82 2k2e s GLY 117 CO 0.14 2.21 0.41 0.14 0.00 0.00 0.00 173.10 176.00 2k2e s VAL 118 N 3.35 5.13 -0.30 1.40 1.01 -1.26 0.22 120.40 129.94 2k2e s VAL 118 Ca 0.44 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.75 2k2e s VAL 118 Cb -0.14 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2k2e s VAL 118 CO 0.09 -0.02 0.01 -1.61 0.00 0.00 0.00 175.10 173.57 2k2e s GLU 119 N 2.14 2.46 -0.42 2.72 0.41 0.72 -4.95 118.70 121.78 2k2e s GLU 119 Ca 0.15 -1.25 -0.18 0.00 -0.41 0.00 0.00 54.97 53.28 2k2e s GLU 119 Cb -0.16 -3.20 0.02 0.00 -1.78 0.00 0.00 34.13 29.01 2k2e s GLU 119 CO 0.11 -0.62 0.49 0.00 -0.49 0.00 0.00 175.26 174.76 2k2e s ALA 120 N 1.27 3.41 0.07 5.21 0.00 -1.26 -0.49 121.76 129.96 2k2e s ALA 120 Ca -0.05 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.55 2k2e s ALA 120 Cb -0.20 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2k2e s ALA 120 CO -0.01 -1.58 0.05 -1.33 0.00 0.00 0.00 175.76 172.89 2k2e n MET 121 N 5.78 0.20 -1.62 0.00 2.81 0.65 -4.94 117.12 120.00 2k2e n MET 121 Ca -0.06 -0.64 -0.34 0.00 -1.81 0.00 0.00 57.70 54.86 2k2e n MET 121 Cb 0.48 0.49 0.07 0.00 -0.71 0.00 0.00 33.22 33.55 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 -1.45 4.67 0.12 7.83 2.15 -1.26 -0.44 116.67 128.30 2k2e s ASP 122 Ca 0.07 2.19 -0.17 0.00 0.43 0.00 0.00 52.55 55.07 2k2e s ASP 122 Cb 0.00 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.03 2k2e s ASP 122 CO 0.05 -1.93 1.68 0.00 -0.17 0.00 0.00 175.17 174.80 2k2e h THR 123 N -0.08 1.18 -0.06 1.71 1.03 -1.83 0.13 112.91 114.99 2k2e h THR 123 Ca -0.47 -0.54 -0.23 0.00 -0.01 0.00 0.00 66.41 65.16 2k2e h THR 123 Cb 1.27 0.89 0.01 0.00 -1.07 0.00 0.00 68.15 69.25 2k2e h THR 123 CO 0.52 0.19 -0.88 -0.61 -0.01 0.00 0.00 175.52 174.73 2k2e h GLN 124 N 0.42 0.61 -0.87 0.00 4.15 -1.93 -2.17 115.11 115.32 2k2e h GLN 124 Ca 0.12 -0.57 -0.01 0.00 0.77 0.00 0.00 58.65 58.95 2k2e h GLN 124 Cb 0.16 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 2k2e h GLN 124 CO -0.01 1.19 0.51 0.00 -1.93 0.00 0.00 178.83 178.59 2k2e h ALA 125 N 0.63 1.11 -0.16 3.38 0.00 -1.91 0.12 119.26 122.44 2k2e h ALA 125 Ca -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k2e h ALA 125 Cb 1.51 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k2e h ALA 125 CO 0.17 0.59 0.05 0.00 0.00 0.00 0.00 179.25 180.06 2k2e h ALA 126 N 1.28 0.21 -0.70 0.00 0.00 -0.63 -0.20 119.26 119.21 2k2e h ALA 126 Ca 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2k2e h ALA 126 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2k2e h ALA 126 CO -0.06 -0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.32 2k2e h ALA 127 N 0.88 1.23 -0.13 0.00 0.00 -1.11 0.26 119.26 120.39 2k2e h ALA 127 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k2e h ALA 127 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k2e h ALA 127 CO -0.00 0.58 0.05 -0.09 0.00 0.00 0.00 179.25 179.78 2k2e h ARG 128 N 1.00 0.20 -0.58 0.00 2.43 -0.55 -0.51 114.38 116.38 2k2e h ARG 128 Ca 0.24 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2k2e h ARG 128 Cb 0.14 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2k2e h ARG 128 CO -0.03 0.33 -0.01 1.15 -1.51 0.00 0.00 179.97 179.90 2k2e h THR 129 N 0.04 1.26 -0.60 0.20 2.02 -0.73 -2.72 112.91 112.38 2k2e h THR 129 Ca 0.04 -1.15 0.02 0.00 0.77 0.00 0.00 66.41 66.10 2k2e h THR 129 Cb 0.20 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2k2e h THR 129 CO -0.00 0.41 0.38 0.22 0.37 0.00 0.00 175.52 176.90 2k2e h TYR 130 N 0.93 0.71 -0.21 3.16 3.20 -0.33 -0.17 116.97 124.26 2k2e h TYR 130 Ca 0.16 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.10 2k2e h TYR 130 Cb 0.56 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2k2e h TYR 130 CO 0.04 0.42 -0.06 -0.97 -1.64 0.00 0.00 178.16 175.95 2k2e h ASN 131 N 0.76 -0.22 -0.10 -2.11 -0.73 -0.83 0.28 115.58 112.63 2k2e h ASN 131 Ca 0.23 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.47 2k2e h ASN 131 Cb -0.02 0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 2k2e h ASN 131 CO -0.08 -0.08 0.05 0.40 -0.37 0.00 0.00 177.43 177.35 2k2e h ILE 132 N -0.01 1.11 -0.35 2.57 2.04 -1.18 -1.14 117.51 120.55 2k2e h ILE 132 Ca 0.10 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2k2e h ILE 132 Cb 0.17 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2k2e h ILE 132 CO -0.22 0.10 -0.09 -0.07 0.00 0.00 0.00 178.15 177.87 2k2e h LEU 133 N 0.04 0.58 -0.88 1.44 3.38 -0.75 -1.74 115.31 117.38 2k2e h LEU 133 Ca 0.03 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2k2e h LEU 133 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2k2e h LEU 133 CO -0.00 0.71 -0.37 -0.03 0.09 0.00 0.00 178.44 178.83 2k2e h MET 134 N 0.55 0.38 0.00 1.13 4.05 -0.30 -1.93 114.93 118.81 2k2e h MET 134 Ca 0.10 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 2k2e h MET 134 Cb 0.49 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2k2e h MET 134 CO 0.03 0.70 -0.24 0.00 0.23 0.00 0.00 176.91 177.62 2k2e h ALA 135 N 1.29 1.22 0.00 0.39 0.00 -0.36 -1.31 119.26 120.49 2k2e h ALA 135 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2k2e h ALA 135 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k2e h ALA 135 CO 0.06 0.30 -0.36 0.93 0.00 0.00 0.00 179.25 180.18 2k2e h GLU 136 N 0.00 0.00 0.00 0.00 5.08 -0.91 -3.47 114.58 115.28 2k2e h GLU 136 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k2e h GLU 136 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2k2e h GLU 136 CO 0.03 0.36 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 2k2e n GLY 137 N 0.55 0.67 3.85 -3.84 0.00 -0.49 -5.07 105.19 100.86 2k2e n GLY 137 Ca 0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2k2e n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2e s ARG 138 N -1.00 3.93 -0.76 1.61 3.52 -0.77 -4.98 118.95 120.50 2k2e s ARG 138 Ca 0.00 0.86 -0.27 0.00 -0.13 0.00 0.00 55.73 56.19 2k2e s ARG 138 Cb 0.00 -2.20 0.03 0.00 -1.56 0.00 0.00 34.95 31.22 2k2e s ARG 138 CO 0.00 -0.20 1.34 1.03 -0.81 0.00 0.00 175.30 176.66 2k2e s ARG 139 N -3.95 3.18 -0.02 5.12 1.81 -1.26 -4.62 118.95 119.20 2k2e s ARG 139 Ca 0.57 -0.26 0.02 0.00 -1.72 0.00 0.00 55.73 54.34 2k2e s ARG 139 Cb -0.10 -4.30 0.01 0.00 -0.45 0.00 0.00 34.95 30.11 2k2e s ARG 139 CO 0.30 -2.20 -0.06 0.54 -0.68 0.00 0.00 175.30 173.20 2k2e s VAL 140 N 5.93 0.54 -0.06 3.52 0.11 -1.26 -0.24 120.40 128.95 2k2e s VAL 140 Ca 0.38 -0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 2k2e s VAL 140 Cb -0.08 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2k2e s VAL 140 CO 0.13 0.19 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.21 2k2e s VAL 141 N 0.39 2.63 -0.05 2.04 1.01 -0.73 -4.34 120.40 121.35 2k2e s VAL 141 Ca -0.05 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.12 2k2e s VAL 141 Cb -0.09 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2k2e s VAL 141 CO 0.00 0.57 -0.24 0.54 0.00 0.00 0.00 175.10 175.98 2k2e s VAL 142 N -0.41 1.93 -0.24 2.92 0.11 -0.74 0.05 120.40 124.03 2k2e s VAL 142 Ca 0.04 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.11 2k2e s VAL 142 Cb -0.12 -1.63 0.05 0.00 -1.53 0.00 0.00 36.38 33.15 2k2e s VAL 142 CO 0.02 0.54 -0.12 0.00 -3.33 0.00 0.00 175.10 172.21 2k2e s ALA 143 N -0.21 2.39 -0.10 1.54 0.00 0.85 -1.18 121.76 125.04 2k2e s ALA 143 Ca -0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 2k2e s ALA 143 Cb -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2k2e s ALA 143 CO 0.03 -1.00 0.04 -0.51 0.00 0.00 0.00 175.76 174.31 2k2e s LEU 144 N 1.20 3.77 -0.51 0.00 1.43 0.37 -0.04 118.68 124.90 2k2e s LEU 144 Ca -0.05 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2k2e s LEU 144 Cb -0.18 -1.88 0.13 0.00 0.03 0.00 0.00 46.19 44.28 2k2e s LEU 144 CO -0.07 0.36 0.25 -0.22 0.23 0.00 0.00 176.35 176.90 2k2e s LEU 145 N -0.75 4.43 0.22 1.79 0.20 -0.90 -1.54 118.68 122.12 2k2e s LEU 145 Ca 0.12 -2.92 -0.06 0.00 0.69 0.00 0.00 54.13 51.96 2k2e s LEU 145 Cb -0.12 -1.65 -0.06 0.00 -0.43 0.00 0.00 46.19 43.93 2k2e s LEU 145 CO 0.02 -0.26 0.49 -2.16 -0.29 0.00 0.00 176.35 174.16 2k2e s PRO 146 N -0.15 3.68 2.00 0.98 0.04 -1.26 -4.43 135.00 135.86 2k2e s PRO 146 Ca 0.16 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2k2e s PRO 146 Cb -0.25 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2k2e s PRO 146 CO -0.01 0.33 0.00 -3.47 0.04 0.00 0.00 177.00 173.89 2k2e n ASP 147 N -0.34 -5.60 0.00 6.66 -0.08 -1.25 -4.55 116.55 111.39 2k2e n ASP 147 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 2k2e n ASP 147 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2e n GLY 148 N 0.00 1.36 3.76 0.27 0.00 -1.26 -4.95 105.19 104.37 2k2e n GLY 148 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 149 N 0.00 5.17 0.37 1.61 2.15 -1.26 -5.04 116.67 119.66 2k2e s ASP 149 Ca 0.00 2.20 0.04 0.00 0.43 0.00 0.00 52.55 55.22 2k2e s ASP 149 Cb 0.00 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 2k2e s ASP 149 CO 0.00 -1.60 0.14 -0.44 -0.17 0.00 0.00 175.17 173.10 2k2e s SER 150 N -2.02 2.36 0.17 -0.34 0.01 -1.26 -5.06 113.70 107.55 2k2e s SER 150 Ca 0.72 -1.62 -0.14 0.00 1.31 0.00 0.00 55.95 56.22 2k2e s SER 150 Cb -0.25 0.42 0.06 0.00 0.21 0.00 0.00 66.02 66.46 2k2e s SER 150 CO 0.36 -0.90 1.80 0.25 0.41 0.00 0.00 173.24 175.16 2k2e h LEU 151 N 1.95 0.64 -5.52 2.44 5.85 -2.08 -3.23 115.31 115.36 2k2e h LEU 151 Ca -0.35 -0.07 -0.66 0.00 0.84 0.00 0.00 57.88 57.65 2k2e h LEU 151 Cb 1.26 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2k2e h LEU 151 CO 0.55 0.52 3.39 -0.62 -0.34 0.00 0.00 178.44 181.94 2k2e n GLU 152 N -4.66 3.11 -2.53 1.25 1.02 -1.26 -4.85 120.64 112.71 2k2e n GLU 152 Ca 0.03 -2.28 -0.41 0.00 -0.02 0.00 0.00 57.16 54.48 2k2e n GLU 152 Cb 0.06 -2.97 -0.03 0.00 -0.02 0.00 0.00 31.44 28.48 2k2e n GLU 152 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k2e s HIS 153 N 2.84 2.27 0.19 -0.32 2.46 -1.22 -4.97 115.29 116.54 2k2e s HIS 153 Ca 0.58 -0.07 -0.30 0.00 0.47 0.00 0.00 55.06 55.73 2k2e s HIS 153 Cb 0.16 -4.61 -0.09 0.00 -0.13 0.00 0.00 32.58 27.91 2k2e s HIS 153 CO -0.06 -2.08 1.34 -1.01 -2.47 0.00 0.00 174.74 170.47 2k2e s HIS 154 N 5.83 3.23 -0.66 3.88 3.76 -1.26 -4.96 115.29 125.11 2k2e s HIS 154 Ca 0.37 1.13 -0.27 0.00 -0.15 0.00 0.00 55.06 56.14 2k2e s HIS 154 Cb -0.08 -3.65 0.02 0.00 1.11 0.00 0.00 32.58 29.99 2k2e s HIS 154 CO 0.13 -2.09 1.38 -1.01 -0.85 0.00 0.00 174.74 172.30 2k2e s HIS 155 N 0.33 2.24 -1.24 1.40 3.76 -1.26 -4.91 115.29 115.61 2k2e s HIS 155 Ca 0.59 0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 55.59 2k2e s HIS 155 Cb -0.37 -4.49 -0.03 0.00 1.11 0.00 0.00 32.58 28.80 2k2e s HIS 155 CO 0.37 -2.02 2.17 0.72 -0.85 0.00 0.00 174.74 175.14 2k2e n HIS 156 N 9.74 2.91 0.93 1.40 8.25 -1.26 -3.41 115.22 133.78 2k2e n HIS 156 Ca 0.08 -2.60 0.10 0.00 -0.26 0.00 0.00 57.72 55.04 2k2e n HIS 156 Cb 0.49 -2.27 -0.04 0.00 1.12 0.00 0.00 29.99 29.29 2k2e n HIS 156 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k2e n HIS 157 N 6.33 0.00 -0.88 4.41 -0.00 -1.26 -5.35 115.22 118.46 2k2e n HIS 157 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 2k2e n HIS 157 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2k2e n HIS 157 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95