#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcc s ALA 2 N 0.00 3.48 -0.04 4.31 0.00 -1.26 -5.00 121.76 123.25 2jcc s ALA 2 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2jcc s ALA 2 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2jcc s ALA 2 CO 0.00 -1.32 -0.23 0.00 0.00 0.00 0.00 175.76 174.21 2jcc s ALA 3 N 2.90 2.27 0.04 0.00 0.00 -1.26 -4.96 121.76 120.75 2jcc s ALA 3 Ca 0.29 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 51.28 2jcc s ALA 3 Cb -0.14 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 2jcc s ALA 3 CO 0.15 0.49 -0.26 0.08 0.00 0.00 0.00 175.76 176.21 2jcc s VAL 4 N -0.44 2.09 0.03 0.00 1.01 -1.26 -4.24 120.40 117.58 2jcc s VAL 4 Ca 0.05 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 60.75 2jcc s VAL 4 Cb -0.12 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2jcc s VAL 4 CO 0.01 0.38 -0.18 0.42 0.00 0.00 0.00 175.10 175.73 2jcc s THR 5 N -0.78 1.48 -0.02 3.92 -4.23 -0.45 -4.41 115.64 111.16 2jcc s THR 5 Ca 0.11 -1.08 0.07 0.00 -1.18 0.00 0.00 61.69 59.61 2jcc s THR 5 Cb -0.10 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 2jcc s THR 5 CO 0.02 0.18 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.96 2jcc s GLN 6 N -1.05 1.79 -0.06 3.99 -0.21 -1.26 -0.93 119.66 121.93 2jcc s GLN 6 Ca 0.06 -0.80 -0.07 0.00 0.02 0.00 0.00 55.36 54.58 2jcc s GLN 6 Cb -0.08 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.21 2jcc s GLN 6 CO 0.01 0.48 0.18 -1.54 -2.12 0.00 0.00 175.29 172.29 2jcc s SER 7 N -0.54 -0.16 0.72 5.90 1.04 -0.70 -4.31 113.70 115.65 2jcc s SER 7 Ca 0.09 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.68 2jcc s SER 7 Cb -0.09 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.40 2jcc s SER 7 CO -0.01 -0.11 1.07 -2.16 0.98 0.00 0.00 173.24 173.01 2jcc s PRO 8 N -0.14 2.71 0.41 4.02 0.04 -1.26 -0.85 135.00 139.93 2jcc s PRO 8 Ca -0.02 1.03 0.22 0.00 0.04 0.00 0.00 61.00 62.27 2jcc s PRO 8 Cb -0.02 -1.96 0.49 0.00 0.04 0.00 0.00 34.50 33.05 2jcc s PRO 8 CO 0.00 -1.28 1.65 0.00 0.04 0.00 0.00 177.00 177.41 2jcc h ARG 9 N -0.84 0.00 -2.67 4.56 2.47 -1.84 -3.43 114.38 112.63 2jcc h ARG 9 Ca -0.44 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.17 2jcc h ARG 9 Cb 1.22 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.31 2jcc h ARG 9 CO 0.55 0.18 -0.18 0.45 0.56 0.00 0.00 179.97 181.53 2jcc s SER 10 N -6.21 -0.44 -0.14 7.04 0.15 -1.26 -2.06 113.70 110.78 2jcc s SER 10 Ca 0.04 0.77 -0.09 0.00 0.70 0.00 0.00 55.95 57.37 2jcc s SER 10 Cb 0.07 0.80 0.05 0.00 -1.71 0.00 0.00 66.02 65.23 2jcc s SER 10 CO 0.67 -0.22 0.34 -0.75 1.20 0.00 0.00 173.24 174.48 2jcc s LYS 11 N -0.07 0.34 -0.15 5.44 2.47 -0.02 -4.97 119.74 122.78 2jcc s LYS 11 Ca -0.03 0.62 0.01 0.00 -1.56 0.00 0.00 55.97 55.01 2jcc s LYS 11 Cb -0.03 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.36 2jcc s LYS 11 CO 0.02 -0.12 -0.17 0.08 0.16 0.00 0.00 175.35 175.31 2jcc s VAL 12 N 0.97 2.51 0.10 4.02 1.01 -1.26 -1.66 120.40 126.09 2jcc s VAL 12 Ca -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2jcc s VAL 12 Cb -0.07 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2jcc s VAL 12 CO -0.07 0.52 -0.04 0.00 0.00 0.00 0.00 175.10 175.50 2jcc s ALA 13 N 0.86 0.96 0.08 5.51 0.00 -0.04 -4.91 121.76 124.22 2jcc s ALA 13 Ca -0.05 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.57 2jcc s ALA 13 Cb -0.15 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2jcc s ALA 13 CO -0.01 -0.28 0.09 0.54 0.00 0.00 0.00 175.76 176.10 2jcc s VAL 14 N -3.70 4.59 0.19 0.00 0.11 -1.26 0.01 120.40 120.34 2jcc s VAL 14 Ca 0.14 -0.76 -0.32 0.00 -2.93 0.00 0.00 61.98 58.11 2jcc s VAL 14 Cb 0.06 -3.22 -0.11 0.00 -1.53 0.00 0.00 36.38 31.58 2jcc s VAL 14 CO -0.04 0.11 1.66 0.42 -3.33 0.00 0.00 175.10 173.93 2jcc s THR 15 N -1.41 2.30 0.00 5.04 -4.23 -0.09 -2.23 115.64 115.02 2jcc s THR 15 Ca 0.30 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 2jcc s THR 15 Cb -0.12 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2jcc s THR 15 CO 0.22 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 2jcc n GLY 16 N 3.90 0.52 3.94 3.99 0.00 -0.56 -4.90 105.19 112.08 2jcc n GLY 16 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2jcc n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jcc s GLY 17 N -1.36 1.61 -0.08 -0.02 0.00 -0.95 -4.64 107.32 101.89 2jcc s GLY 17 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 2jcc s GLY 17 CO 0.00 -0.86 0.98 1.25 0.00 0.00 0.00 173.10 174.48 2jcc s LYS 18 N -3.63 4.45 -0.13 2.90 2.20 -1.25 -2.02 119.74 122.25 2jcc s LYS 18 Ca 0.38 1.36 0.02 0.00 -0.36 0.00 0.00 55.97 57.38 2jcc s LYS 18 Cb -0.10 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 2jcc s LYS 18 CO 0.30 -0.24 -0.19 0.08 -0.36 0.00 0.00 175.35 174.94 2jcc s VAL 19 N 1.74 1.84 -0.23 4.02 1.01 -0.03 -5.01 120.40 123.75 2jcc s VAL 19 Ca 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2jcc s VAL 19 Cb -0.19 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.57 2jcc s VAL 19 CO 0.20 0.51 -0.12 -0.89 0.00 0.00 0.00 175.10 174.80 2jcc s THR 20 N 0.93 2.47 -0.10 3.92 2.01 -1.26 -0.02 115.64 123.60 2jcc s THR 20 Ca -0.06 -1.11 -0.08 0.00 0.31 0.00 0.00 61.69 60.75 2jcc s THR 20 Cb -0.15 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2jcc s THR 20 CO -0.03 0.27 0.18 -0.76 -0.69 0.00 0.00 174.62 173.60 2jcc s LEU 21 N 1.27 4.40 0.03 4.42 1.43 -0.34 -4.71 118.68 125.18 2jcc s LEU 21 Ca -0.00 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2jcc s LEU 21 Cb -0.16 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 2jcc s LEU 21 CO -0.07 0.39 -0.15 -0.44 0.23 0.00 0.00 176.35 176.31 2jcc s SER 22 N -1.08 4.01 -0.01 2.29 0.01 -0.03 -1.19 113.70 117.71 2jcc s SER 22 Ca 0.17 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.12 2jcc s SER 22 Cb -0.13 -0.73 -0.01 0.00 0.21 0.00 0.00 66.02 65.36 2jcc s SER 22 CO 0.06 0.26 -0.13 0.00 0.41 0.00 0.00 173.24 173.84 2jcc s HIS 24 N -0.32 -0.13 -0.08 0.00 5.04 -0.11 -2.16 115.29 117.54 2jcc s HIS 24 Ca 0.05 0.37 -0.07 0.00 -1.54 0.00 0.00 55.06 53.88 2jcc s HIS 24 Cb -0.05 -0.05 0.03 0.00 0.04 0.00 0.00 32.58 32.54 2jcc s HIS 24 CO -0.00 -0.12 0.21 -1.14 -2.34 0.00 0.00 174.74 171.35 2jcc s GLN 25 N 0.74 0.22 0.00 2.88 -0.44 -0.80 -1.33 119.66 120.93 2jcc s GLN 25 Ca -0.06 0.33 0.10 0.00 -2.50 0.00 0.00 55.36 53.23 2jcc s GLN 25 Cb -0.08 0.06 0.16 0.00 -1.64 0.00 0.00 33.01 31.52 2jcc s GLN 25 CO -0.03 -0.06 1.00 0.25 0.50 0.00 0.00 175.29 176.94 2jcc n THR 26 N 3.26 0.44 0.51 -0.34 -2.24 -1.26 -4.47 114.28 110.18 2jcc n THR 26 Ca -0.16 -0.72 0.05 0.00 -2.27 0.00 0.00 64.05 60.95 2jcc n THR 26 Cb 0.57 0.89 0.26 0.00 -2.10 0.00 0.00 70.33 69.96 2jcc n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jcc n ASN 27 N 0.49 0.00 -3.07 3.42 3.02 -1.26 -4.84 115.26 113.01 2jcc n ASN 27 Ca 0.08 0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.46 2jcc n ASN 27 Cb 0.32 -0.22 0.06 0.00 -0.61 0.00 0.00 39.78 39.33 2jcc n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jcc n ASN 28 N -1.22 -5.73 -4.76 6.41 5.15 -1.26 -5.02 115.26 108.82 2jcc n ASN 28 Ca 0.05 -0.43 -0.37 0.00 -0.60 0.00 0.00 54.58 53.24 2jcc n ASN 28 Cb 0.07 -4.37 -0.07 0.00 -0.53 0.00 0.00 39.78 34.88 2jcc n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2jcc s HIS 29 N -3.25 3.52 -0.42 1.20 3.76 -1.26 -4.95 115.29 113.89 2jcc s HIS 29 Ca 0.47 0.63 0.23 0.00 -0.15 0.00 0.00 55.06 56.24 2jcc s HIS 29 Cb -0.21 -2.27 0.37 0.00 1.11 0.00 0.00 32.58 31.58 2jcc s HIS 29 CO 0.58 0.37 1.62 -0.44 -0.85 0.00 0.00 174.74 176.02 2jcc h ASP 30 N 6.15 0.00 -3.32 1.40 3.32 -1.87 -3.46 116.42 118.64 2jcc h ASP 30 Ca -0.45 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.99 2jcc h ASP 30 Cb 1.18 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 2jcc h ASP 30 CO 0.71 0.01 -0.57 -0.31 -1.72 0.00 0.00 179.24 177.36 2jcc s TYR 31 N -3.22 3.23 0.04 4.55 1.51 -1.00 -3.33 117.35 119.14 2jcc s TYR 31 Ca 0.07 0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.18 2jcc s TYR 31 Cb 0.05 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 2jcc s TYR 31 CO 0.67 0.11 -0.07 -1.64 -1.11 0.00 0.00 175.55 173.52 2jcc s MET 32 N 0.47 0.51 0.05 -0.62 -1.94 -0.62 -1.56 119.30 115.59 2jcc s MET 32 Ca 0.03 -0.79 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 2jcc s MET 32 Cb -0.13 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.50 2jcc s MET 32 CO 0.01 0.02 -0.06 0.71 -0.01 0.00 0.00 175.02 175.68 2jcc s TYR 33 N -1.67 0.62 -0.18 -0.03 1.51 -0.64 -1.19 117.35 115.78 2jcc s TYR 33 Ca -0.09 -0.65 0.01 0.00 -1.01 0.00 0.00 57.07 55.33 2jcc s TYR 33 Cb -0.08 -0.38 0.04 0.00 -0.11 0.00 0.00 41.96 41.42 2jcc s TYR 33 CO -0.01 -0.15 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.59 2jcc s TRP 34 N -2.11 2.30 0.27 2.71 0.52 -0.78 -1.30 118.94 120.56 2jcc s TRP 34 Ca -0.05 -1.44 0.08 0.00 0.02 0.00 0.00 56.10 54.71 2jcc s TRP 34 Cb -0.05 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 2jcc s TRP 34 CO -0.02 -0.71 0.10 0.71 0.02 0.00 0.00 176.95 177.05 2jcc s TYR 35 N 1.44 2.87 0.10 -1.98 1.51 0.27 -0.67 117.35 120.90 2jcc s TYR 35 Ca 0.01 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 2jcc s TYR 35 Cb -0.15 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 2jcc s TYR 35 CO -0.09 0.54 -0.19 -0.98 -1.11 0.00 0.00 175.55 173.71 2jcc s ARG 36 N -3.77 1.08 -0.17 -0.62 1.70 -0.46 -1.04 118.95 115.66 2jcc s ARG 36 Ca 0.33 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 2jcc s ARG 36 Cb -0.07 -1.27 0.00 0.00 -0.57 0.00 0.00 34.95 33.05 2jcc s ARG 36 CO 0.22 0.29 -0.15 -1.14 -1.08 0.00 0.00 175.30 173.44 2jcc s GLN 37 N -2.00 3.16 -0.05 3.89 0.74 0.23 -2.35 119.66 123.29 2jcc s GLN 37 Ca 0.06 -0.76 -0.02 0.00 0.05 0.00 0.00 55.36 54.69 2jcc s GLN 37 Cb -0.09 -2.65 0.03 0.00 1.10 0.00 0.00 33.01 31.40 2jcc s GLN 37 CO 0.04 -0.08 0.10 -0.51 -0.55 0.00 0.00 175.29 174.29 2jcc s ASP 38 N 1.04 -0.05 0.31 6.67 1.01 -1.09 -3.10 116.67 121.47 2jcc s ASP 38 Ca -0.01 0.20 -0.29 0.00 0.71 0.00 0.00 52.55 53.16 2jcc s ASP 38 Cb -0.15 0.10 -0.12 0.00 1.01 0.00 0.00 42.92 43.76 2jcc s ASP 38 CO -0.04 -0.13 1.45 0.41 0.21 0.00 0.00 175.17 177.07 2jcc n THR 39 N 4.11 1.48 -0.67 -1.27 -1.04 -1.26 0.37 114.28 116.00 2jcc n THR 39 Ca -0.26 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 2jcc n THR 39 Cb 0.52 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 2jcc n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jcc n GLY 40 N 1.42 0.74 0.00 3.41 0.00 -1.26 -4.72 105.19 104.77 2jcc n GLY 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2jcc n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jcc n HIS 41 N -2.39 0.00 0.00 1.61 -0.00 -0.66 -5.12 115.22 108.66 2jcc n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jcc n HIS 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jcc n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jcc n GLY 42 N -0.03 1.58 2.61 -1.41 0.00 0.16 -4.56 105.19 103.54 2jcc n GLY 42 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2jcc n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jcc s LEU 43 N 0.00 0.43 0.06 0.99 2.96 -1.26 -2.65 118.68 119.20 2jcc s LEU 43 Ca 0.00 -0.70 0.09 0.00 -0.22 0.00 0.00 54.13 53.30 2jcc s LEU 43 Cb 0.00 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 2jcc s LEU 43 CO 0.00 -0.36 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.29 2jcc s ARG 44 N 2.11 1.79 -0.03 1.98 0.52 -0.99 -4.95 118.95 119.38 2jcc s ARG 44 Ca 0.03 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 53.95 2jcc s ARG 44 Cb -0.16 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 33.25 2jcc s ARG 44 CO -0.12 0.51 0.45 -1.17 0.02 0.00 0.00 175.30 174.98 2jcc s LEU 45 N -1.41 4.42 -0.20 2.53 2.96 -1.26 -1.36 118.68 124.37 2jcc s LEU 45 Ca 0.13 0.95 -0.09 0.00 -0.22 0.00 0.00 54.13 54.90 2jcc s LEU 45 Cb -0.10 -2.65 -0.09 0.00 0.50 0.00 0.00 46.19 43.85 2jcc s LEU 45 CO 0.03 0.22 -0.25 -0.38 -1.32 0.00 0.00 176.35 174.66 2jcc n ILE 46 N 2.36 1.09 -3.62 6.68 5.41 0.16 -1.90 119.36 129.54 2jcc n ILE 46 Ca -0.12 -0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.22 2jcc n ILE 46 Cb 0.52 -1.72 -0.06 0.00 -0.71 0.00 0.00 39.64 37.68 2jcc n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2jcc s HIS 47 N -2.36 -0.32 0.31 1.39 3.76 -1.24 -0.88 115.29 115.95 2jcc s HIS 47 Ca -0.28 0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 54.89 2jcc s HIS 47 Cb 0.10 0.28 -0.01 0.00 1.11 0.00 0.00 32.58 34.06 2jcc s HIS 47 CO 0.36 -0.62 0.39 1.52 -0.85 0.00 0.00 174.74 175.54 2jcc s TYR 48 N -2.69 1.13 -0.16 1.40 1.13 -0.25 -1.86 117.35 116.05 2jcc s TYR 48 Ca -0.04 -1.31 -0.11 0.00 -1.41 0.00 0.00 57.07 54.20 2jcc s TYR 48 Cb -0.00 -0.23 0.05 0.00 -1.10 0.00 0.00 41.96 40.67 2jcc s TYR 48 CO -0.04 -1.01 0.41 0.45 -2.51 0.00 0.00 175.55 172.85 2jcc s SER 49 N -3.23 -0.48 0.00 -0.18 0.15 -0.33 -0.18 113.70 109.46 2jcc s SER 49 Ca 0.33 0.86 0.15 0.00 0.70 0.00 0.00 55.95 57.99 2jcc s SER 49 Cb 0.01 0.79 -0.11 0.00 -1.71 0.00 0.00 66.02 65.00 2jcc s SER 49 CO 0.19 -0.17 0.70 0.00 1.20 0.00 0.00 173.24 175.16 2jcc n TYR 50 N 3.74 0.00 -3.53 3.44 0.18 -1.26 -1.59 117.16 118.14 2jcc n TYR 50 Ca -0.20 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.43 2jcc n TYR 50 Cb 0.56 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.47 2jcc n TYR 50 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2jcc s VAL 51 N -2.24 0.01 0.24 -3.48 0.11 -1.21 -4.49 120.40 109.34 2jcc s VAL 51 Ca 0.08 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.72 2jcc s VAL 51 Cb 0.12 -0.97 -0.14 0.00 -1.53 0.00 0.00 36.38 33.85 2jcc s VAL 51 CO 0.55 -0.06 1.19 0.00 -3.33 0.00 0.00 175.10 173.45 2jcc n ALA 52 N 0.52 0.05 -1.00 1.54 0.00 -1.26 -2.79 120.51 117.57 2jcc n ALA 52 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2jcc n ALA 52 Cb 0.60 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2jcc n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jcc n ASP 53 N 1.73 -2.60 -4.11 0.00 8.00 0.95 -4.99 116.55 115.53 2jcc n ASP 53 Ca 0.12 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.45 2jcc n ASP 53 Cb 0.29 -0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 40.77 2jcc n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jcc s SER 54 N -2.15 1.30 0.04 -2.24 0.01 -1.12 -4.95 113.70 104.60 2jcc s SER 54 Ca 0.00 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.76 2jcc s SER 54 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 2jcc s SER 54 CO 0.00 -0.08 -0.06 0.42 0.41 0.00 0.00 173.24 173.93 2jcc s THR 55 N -1.11 0.42 0.01 1.44 -4.23 -1.26 -4.58 115.64 106.32 2jcc s THR 55 Ca -0.04 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 2jcc s THR 55 Cb -0.09 -0.70 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 2jcc s THR 55 CO 0.01 -0.51 -0.20 -1.61 -0.54 0.00 0.00 174.62 171.77 2jcc s GLU 56 N -1.97 1.51 0.24 3.99 0.41 0.75 -4.98 118.70 118.65 2jcc s GLU 56 Ca -0.08 -0.79 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 2jcc s GLU 56 Cb -0.07 -1.52 -0.09 0.00 -1.78 0.00 0.00 34.13 30.67 2jcc s GLU 56 CO -0.01 0.41 1.31 0.15 -0.49 0.00 0.00 175.26 176.62 2jcc s LYS 57 N -0.73 4.38 0.00 1.61 1.02 -1.26 -1.09 119.74 123.67 2jcc s LYS 57 Ca 0.07 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.16 2jcc s LYS 57 Cb -0.08 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2jcc s LYS 57 CO 0.00 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2jcc n GLY 58 N 1.94 0.59 0.22 -3.33 0.00 -0.06 -4.81 105.19 99.74 2jcc n GLY 58 Ca 0.04 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 2jcc n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jcc h ASP 59 N 0.00 0.52 -2.11 1.61 3.32 -1.66 -3.38 116.42 114.71 2jcc h ASP 59 Ca 0.00 -0.23 -0.58 0.00 0.02 0.00 0.00 57.03 56.24 2jcc h ASP 59 Cb 0.00 -0.14 -0.41 0.00 0.22 0.00 0.00 39.33 39.00 2jcc h ASP 59 CO 0.00 0.87 -0.82 2.30 -1.72 0.00 0.00 179.24 179.88 2jcc n ILE 60 N -4.02 1.13 0.46 0.35 -5.35 -0.80 -4.91 119.36 106.22 2jcc n ILE 60 Ca -0.02 -4.75 0.13 0.00 -0.27 0.00 0.00 62.75 57.84 2jcc n ILE 60 Cb 0.51 -1.94 0.33 0.00 -1.74 0.00 0.00 39.64 36.80 2jcc n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2jcc h PRO 61 N 4.00 0.00 -6.56 6.28 0.13 -1.75 -3.41 132.00 130.69 2jcc h PRO 61 Ca 0.14 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.75 2jcc h PRO 61 Cb 0.75 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.92 2jcc h PRO 61 CO 0.68 0.00 1.04 -0.51 -0.23 0.00 0.00 178.00 178.98 2jcc s ASP 62 N -5.17 6.45 0.00 1.44 1.01 -1.26 -0.98 116.67 118.16 2jcc s ASP 62 Ca 0.09 2.75 0.00 0.00 0.71 0.00 0.00 52.55 56.09 2jcc s ASP 62 Cb 0.09 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.45 2jcc s ASP 62 CO 0.62 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.64 2jcc n GLY 63 N 4.08 1.09 3.29 0.21 0.00 -1.26 -5.06 105.19 107.54 2jcc n GLY 63 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 2jcc n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jcc s TYR 65 N -2.93 1.62 0.11 1.61 2.02 -0.15 -4.31 117.35 115.32 2jcc s TYR 65 Ca 0.00 -0.52 0.06 0.00 -0.37 0.00 0.00 57.07 56.24 2jcc s TYR 65 Cb 0.00 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 2jcc s TYR 65 CO 0.00 0.25 -0.16 0.15 -1.57 0.00 0.00 175.55 174.22 2jcc s LYS 66 N -2.84 1.02 0.23 -0.62 1.02 -0.05 -4.97 119.74 113.53 2jcc s LYS 66 Ca 0.14 -1.18 0.11 0.00 0.02 0.00 0.00 55.97 55.06 2jcc s LYS 66 Cb -0.05 -1.01 -0.05 0.00 -0.52 0.00 0.00 37.83 36.21 2jcc s LYS 66 CO 0.05 0.21 -0.19 0.00 -0.92 0.00 0.00 175.35 174.49 2jcc s ALA 67 N -1.79 2.71 -0.17 5.17 0.00 -1.26 0.05 121.76 126.47 2jcc s ALA 67 Ca 0.07 -1.73 -0.09 0.00 0.00 0.00 0.00 51.96 50.22 2jcc s ALA 67 Cb -0.07 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.74 2jcc s ALA 67 CO 0.03 0.36 0.40 0.45 0.00 0.00 0.00 175.76 177.00 2jcc s SER 68 N -3.10 -0.45 -0.63 0.00 0.15 -0.80 -4.93 113.70 103.94 2jcc s SER 68 Ca 0.26 0.88 0.05 0.00 0.70 0.00 0.00 55.95 57.83 2jcc s SER 68 Cb -0.07 0.82 0.18 0.00 -1.71 0.00 0.00 66.02 65.24 2jcc s SER 68 CO 0.13 -0.20 0.48 -1.14 1.20 0.00 0.00 173.24 173.71 2jcc n ARG 69 N 4.43 1.48 0.00 5.44 3.00 -1.26 -0.85 116.66 128.89 2jcc n ARG 69 Ca -0.21 -4.17 0.11 0.00 -0.00 0.00 0.00 57.85 53.58 2jcc n ARG 69 Cb 0.54 -2.12 0.49 0.00 0.00 0.00 0.00 32.46 31.38 2jcc n ARG 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2jcc n PRO 70 N 2.07 0.04 -3.55 -0.14 -0.04 -1.25 -0.03 135.00 132.09 2jcc n PRO 70 Ca 0.23 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2jcc n PRO 70 Cb 0.39 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2jcc n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jcc s SER 71 N -2.95 -0.27 0.40 3.54 1.04 -1.26 -4.77 113.70 109.44 2jcc s SER 71 Ca 0.12 -0.03 0.21 0.00 0.48 0.00 0.00 55.95 56.73 2jcc s SER 71 Cb 0.15 0.30 1.18 0.00 0.10 0.00 0.00 66.02 67.75 2jcc s SER 71 CO 0.40 -0.50 1.72 -0.61 0.98 0.00 0.00 173.24 175.23 2jcc h GLN 72 N 2.00 0.30 -0.05 4.02 4.15 -1.93 -2.69 115.11 120.91 2jcc h GLN 72 Ca -0.18 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 2jcc h GLN 72 Cb 1.21 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2jcc h GLN 72 CO 0.28 0.20 -0.18 0.93 -1.93 0.00 0.00 178.83 178.13 2jcc h GLU 73 N 0.31 0.21 -5.61 1.69 3.07 -1.90 -3.46 114.58 108.88 2jcc h GLU 73 Ca 0.67 -0.16 -0.66 0.00 -0.50 0.00 0.00 59.36 58.72 2jcc h GLU 73 Cb 1.80 0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 29.64 2jcc h GLU 73 CO -0.37 0.79 -0.52 -0.80 -1.40 0.00 0.00 179.01 176.72 2jcc s ASN 74 N -6.15 6.08 -0.14 1.42 0.02 -1.01 -1.91 114.94 113.24 2jcc s ASN 74 Ca -0.15 0.34 -0.04 0.00 -1.02 0.00 0.00 52.86 51.99 2jcc s ASN 74 Cb 0.03 -1.96 0.07 0.00 0.02 0.00 0.00 41.25 39.41 2jcc s ASN 74 CO 0.74 0.35 0.17 0.12 0.02 0.00 0.00 177.10 178.49 2jcc s PHE 75 N -0.67 -0.14 0.08 2.20 5.36 -0.92 -3.80 117.98 120.10 2jcc s PHE 75 Ca 0.12 0.30 0.05 0.00 -0.96 0.00 0.00 56.93 56.44 2jcc s PHE 75 Cb -0.12 -0.38 -0.04 0.00 -0.34 0.00 0.00 43.02 42.14 2jcc s PHE 75 CO 0.02 -0.43 -0.04 -1.54 -1.46 0.00 0.00 175.22 171.77 2jcc s SER 76 N 2.28 4.78 -0.18 6.13 1.04 -0.03 -2.20 113.70 125.52 2jcc s SER 76 Ca 0.04 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 2jcc s SER 76 Cb -0.14 -1.07 -0.00 0.00 0.10 0.00 0.00 66.02 64.90 2jcc s SER 76 CO -0.09 0.19 -0.12 -0.22 0.98 0.00 0.00 173.24 173.99 2jcc s LEU 77 N -2.14 2.60 -0.20 2.42 2.96 -0.33 -1.91 118.68 122.07 2jcc s LEU 77 Ca 0.23 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2jcc s LEU 77 Cb -0.11 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 2jcc s LEU 77 CO 0.15 0.05 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.54 2jcc s ILE 78 N 1.03 3.33 -0.33 6.68 1.01 0.11 -1.20 121.20 131.82 2jcc s ILE 78 Ca -0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 2jcc s ILE 78 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2jcc s ILE 78 CO -0.02 0.45 0.23 -0.76 0.00 0.00 0.00 174.94 174.84 2jcc s LEU 79 N 1.16 4.44 0.07 2.97 1.43 0.97 -0.87 118.68 128.85 2jcc s LEU 79 Ca 0.02 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2jcc s LEU 79 Cb -0.14 -2.13 -0.26 0.00 0.03 0.00 0.00 46.19 43.68 2jcc s LEU 79 CO -0.01 -0.21 1.14 -0.33 0.23 0.00 0.00 176.35 177.17 2jcc h GLU 80 N 8.47 0.51 -2.66 1.70 4.39 -1.84 -0.03 114.58 125.12 2jcc h GLU 80 Ca -0.32 -0.70 -0.58 0.00 0.34 0.00 0.00 59.36 58.10 2jcc h GLU 80 Cb 1.16 0.24 -0.39 0.00 -0.10 0.00 0.00 28.75 29.66 2jcc h GLU 80 CO 0.62 1.31 -0.83 -0.51 -1.16 0.00 0.00 179.01 178.44 2jcc s LEU 81 N -7.68 1.20 0.42 1.33 1.43 -1.26 -3.78 118.68 110.34 2jcc s LEU 81 Ca -0.08 -2.18 -0.26 0.00 -1.03 0.00 0.00 54.13 50.58 2jcc s LEU 81 Cb 0.06 -0.49 -0.10 0.00 0.03 0.00 0.00 46.19 45.70 2jcc s LEU 81 CO 0.91 -0.31 1.43 0.00 0.23 0.00 0.00 176.35 178.61 2jcc n ALA 82 N 4.06 2.06 -2.31 4.21 0.00 -0.86 -4.60 120.51 123.07 2jcc n ALA 82 Ca 0.10 0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 2jcc n ALA 82 Cb 0.37 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.33 2jcc n ALA 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jcc s SER 83 N -0.34 1.83 0.36 0.00 1.04 -1.26 -1.49 113.70 113.83 2jcc s SER 83 Ca 0.58 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.88 2jcc s SER 83 Cb -0.47 0.00 0.67 0.00 0.10 0.00 0.00 66.02 66.32 2jcc s SER 83 CO 0.60 -0.46 2.00 -0.07 0.98 0.00 0.00 173.24 176.29 2jcc h LEU 84 N 2.55 0.70 -1.50 2.42 3.38 -1.95 -1.85 115.31 119.06 2jcc h LEU 84 Ca -0.38 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jcc h LEU 84 Cb 1.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2jcc h LEU 84 CO 0.64 0.50 0.00 0.77 0.09 0.00 0.00 178.44 180.44 2jcc h SER 85 N 0.82 0.00 0.03 -0.43 4.64 -1.97 -2.44 113.55 114.21 2jcc h SER 85 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2jcc h SER 85 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2jcc h SER 85 CO -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.86 2jcc n GLN 86 N -2.40 1.54 -1.77 4.77 6.02 -0.70 -4.80 117.38 120.04 2jcc n GLN 86 Ca -0.01 -0.91 -0.43 0.00 -0.01 0.00 0.00 57.00 55.64 2jcc n GLN 86 Cb 0.09 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 2jcc n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2jcc s THR 87 N -2.09 3.21 0.11 5.09 2.01 -0.92 -4.88 115.64 118.17 2jcc s THR 87 Ca 0.35 0.22 -0.26 0.00 0.31 0.00 0.00 61.69 62.32 2jcc s THR 87 Cb 0.21 -3.25 0.08 0.00 0.01 0.00 0.00 72.50 69.55 2jcc s THR 87 CO 0.37 -0.13 1.08 0.00 -0.69 0.00 0.00 174.62 175.24 2jcc s ALA 88 N 6.96 -1.83 -0.15 7.40 0.00 -0.98 -5.01 121.76 128.15 2jcc s ALA 88 Ca 0.90 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 2jcc s ALA 88 Cb -0.31 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2jcc s ALA 88 CO 0.35 -1.06 0.60 0.08 0.00 0.00 0.00 175.76 175.73 2jcc s VAL 89 N -2.76 5.07 -0.12 0.00 1.01 -1.18 -1.48 120.40 120.94 2jcc s VAL 89 Ca 0.16 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.27 2jcc s VAL 89 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2jcc s VAL 89 CO 0.01 0.20 0.01 -0.31 0.00 0.00 0.00 175.10 175.01 2jcc s TYR 90 N 1.35 3.18 -0.08 5.22 1.51 0.59 0.77 117.35 129.89 2jcc s TYR 90 Ca 0.30 0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.48 2jcc s TYR 90 Cb -0.16 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 2jcc s TYR 90 CO 0.12 0.32 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.63 2jcc s PHE 91 N -0.38 2.08 0.09 2.71 0.40 -0.21 -0.23 117.98 122.44 2jcc s PHE 91 Ca 0.08 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 2jcc s PHE 91 Cb -0.12 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2jcc s PHE 91 CO 0.02 -0.35 0.22 0.00 0.70 0.00 0.00 175.22 175.81 2jcc s ALA 93 N -1.57 1.38 0.19 0.00 0.00 -0.42 0.68 121.76 122.02 2jcc s ALA 93 Ca 0.34 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2jcc s ALA 93 Cb -0.12 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 2jcc s ALA 93 CO 0.28 -0.37 -0.00 -1.54 0.00 0.00 0.00 175.76 174.12 2jcc s SER 94 N -3.19 1.43 0.03 0.00 1.04 -0.54 -1.62 113.70 110.85 2jcc s SER 94 Ca 0.27 -1.19 -0.27 0.00 0.48 0.00 0.00 55.95 55.24 2jcc s SER 94 Cb 0.07 0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.35 2jcc s SER 94 CO 0.06 -0.55 0.73 -0.94 0.98 0.00 0.00 173.24 173.52 2jcc s SER 95 N -3.22 -0.53 0.04 7.02 1.04 -0.60 -0.32 113.70 117.12 2jcc s SER 95 Ca 0.25 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2jcc s SER 95 Cb 0.06 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2jcc s SER 95 CO 0.06 -0.72 0.00 -0.90 0.98 0.00 0.00 173.24 172.65 2jcc n ASP 96 N 0.15 0.00 0.24 7.02 5.68 -1.26 -2.37 116.55 126.01 2jcc n ASP 96 Ca -0.15 -0.06 0.11 0.00 -0.50 0.00 0.00 54.79 54.19 2jcc n ASP 96 Cb 0.61 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.29 2jcc n ASP 96 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2jcc h TRP 97 N -0.04 0.00 0.00 2.11 5.08 -1.98 -3.14 115.95 117.98 2jcc h TRP 97 Ca 0.00 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.35 2jcc h TRP 97 Cb 0.00 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.17 2jcc h TRP 97 CO 0.00 0.00 2.94 0.28 -1.28 0.00 0.00 178.44 180.38 2jcc n VAL 98 N -4.37 2.96 1.97 0.12 0.31 -1.26 -4.74 118.33 113.31 2jcc n VAL 98 Ca -0.02 -2.21 0.07 0.00 -0.01 0.00 0.00 64.34 62.17 2jcc n VAL 98 Cb 0.15 -2.43 0.40 0.00 -0.91 0.00 0.00 33.84 31.04 2jcc n VAL 98 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2jcc n SER 99 N 5.62 0.00 0.03 4.52 3.41 -1.19 -2.18 113.62 123.83 2jcc n SER 99 Ca 0.55 -1.55 0.12 0.00 -0.26 0.00 0.00 58.87 57.73 2jcc n SER 99 Cb 0.31 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.56 2jcc n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jcc n TYR 100 N -0.71 0.25 -3.45 7.33 0.18 -1.26 -4.52 117.16 114.97 2jcc n TYR 100 Ca 0.10 0.07 -0.43 0.00 1.88 0.00 0.00 57.90 59.52 2jcc n TYR 100 Cb 0.05 -0.48 -0.06 0.00 -0.38 0.00 0.00 39.34 38.47 2jcc n TYR 100 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 2jcc s GLU 105 N -3.06 3.02 -0.15 -3.48 2.12 -0.92 -5.07 118.70 111.15 2jcc s GLU 105 Ca 0.10 -2.16 -0.07 0.00 0.36 0.00 0.00 54.97 53.21 2jcc s GLU 105 Cb 0.16 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 2jcc s GLU 105 CO 0.67 -1.25 0.09 -0.65 -0.54 0.00 0.00 175.26 173.57 2jcc s GLN 106 N 0.70 3.70 -0.32 4.30 -0.21 -1.26 -4.66 119.66 121.91 2jcc s GLN 106 Ca 0.12 -0.27 -0.13 0.00 0.02 0.00 0.00 55.36 55.09 2jcc s GLN 106 Cb -0.20 -3.17 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 2jcc s GLN 106 CO -0.04 0.49 0.28 0.71 -2.12 0.00 0.00 175.29 174.61 2jcc s TYR 107 N -0.23 3.22 0.24 0.91 1.51 0.56 -4.90 117.35 118.66 2jcc s TYR 107 Ca 0.09 -0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.97 2jcc s TYR 107 Cb -0.12 -2.52 -0.08 0.00 -0.11 0.00 0.00 41.96 39.13 2jcc s TYR 107 CO 0.01 -0.32 0.67 -0.06 -1.11 0.00 0.00 175.55 174.74 2jcc s PHE 108 N 1.85 3.52 0.88 2.71 0.40 -1.26 -1.46 117.98 124.62 2jcc s PHE 108 Ca 0.09 1.21 -0.12 0.00 -0.60 0.00 0.00 56.93 57.51 2jcc s PHE 108 Cb -0.17 -2.50 0.12 0.00 0.51 0.00 0.00 43.02 40.98 2jcc s PHE 108 CO 0.11 0.27 1.11 0.20 0.70 0.00 0.00 175.22 177.60 2jcc s GLY 109 N -1.95 1.60 0.50 4.36 0.00 0.21 -4.55 107.32 107.49 2jcc s GLY 109 Ca 0.46 -0.31 0.25 0.00 0.00 0.00 0.00 44.72 45.12 2jcc s GLY 109 CO 0.19 0.20 2.04 -0.56 0.00 0.00 0.00 173.10 174.97 2jcc h PRO 110 N -1.40 0.00 0.00 2.90 0.13 -1.88 -3.44 132.00 128.31 2jcc h PRO 110 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2jcc h PRO 110 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2jcc h PRO 110 CO 0.59 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 2jcc n GLY 111 N -0.69 2.84 2.88 1.56 0.00 -1.26 -5.06 105.19 105.46 2jcc n GLY 111 Ca -0.02 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 2jcc n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jcc s THR 112 N -2.47 0.80 -0.21 2.61 2.01 0.69 -4.69 115.64 114.37 2jcc s THR 112 Ca 0.00 -0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 2jcc s THR 112 Cb 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2jcc s THR 112 CO 0.00 0.32 0.83 -0.60 -0.69 0.00 0.00 174.62 174.48 2jcc s ARG 113 N 1.63 4.23 -0.03 4.92 3.52 -0.88 -0.30 118.95 132.04 2jcc s ARG 113 Ca 0.02 0.97 0.07 0.00 -0.13 0.00 0.00 55.73 56.66 2jcc s ARG 113 Cb -0.13 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.63 2jcc s ARG 113 CO -0.06 -0.44 -0.24 -1.17 -0.81 0.00 0.00 175.30 172.58 2jcc s LEU 114 N 2.57 2.05 -0.03 -0.88 2.96 -0.55 -0.84 118.68 123.96 2jcc s LEU 114 Ca 0.36 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2jcc s LEU 114 Cb -0.16 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.26 2jcc s LEU 114 CO 0.09 0.28 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.42 2jcc s THR 115 N -0.45 0.79 -0.08 3.68 2.01 -0.66 -2.32 115.64 118.61 2jcc s THR 115 Ca 0.06 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.73 2jcc s THR 115 Cb -0.11 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 2jcc s THR 115 CO 0.00 0.25 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.33 2jcc s VAL 116 N 0.25 2.85 0.11 3.82 1.01 -1.26 -0.86 120.40 126.32 2jcc s VAL 116 Ca -0.04 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2jcc s VAL 116 Cb -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2jcc s VAL 116 CO 0.01 0.57 -0.12 -0.76 0.00 0.00 0.00 175.10 174.79 2jcc s LEU 116 N -0.29 2.40 0.39 3.92 1.43 0.10 -4.79 118.68 121.84 2jcc s LEU 116 Ca 0.02 -0.81 0.23 0.00 -1.03 0.00 0.00 54.13 52.54 2jcc s LEU 116 Cb -0.13 -0.43 0.27 0.00 0.03 0.00 0.00 46.19 45.93 2jcc s LEU 116 CO 0.03 -0.20 1.49 -0.08 0.23 0.00 0.00 176.35 177.82 2jcc h GLU 117 N 3.55 0.00 -2.87 1.70 4.81 -1.95 -0.21 114.58 119.61 2jcc h GLU 117 Ca -0.39 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.66 2jcc h GLU 117 Cb 1.19 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.27 2jcc h GLU 117 CO 0.52 0.00 -0.46 0.34 -0.73 0.00 0.00 179.01 178.68 2jcc s ASP 118 N -6.02 -0.12 0.43 1.04 2.15 -1.26 -4.68 116.67 108.21 2jcc s ASP 118 Ca 0.05 0.64 0.23 0.00 0.43 0.00 0.00 52.55 53.91 2jcc s ASP 118 Cb 0.06 0.63 0.48 0.00 -0.30 0.00 0.00 42.92 43.79 2jcc s ASP 118 CO 0.70 -0.20 1.65 -0.07 -0.17 0.00 0.00 175.17 177.08 2jcc h LEU 119 N 7.59 0.00 -1.89 -1.34 3.38 -1.96 -3.25 115.31 117.85 2jcc h LEU 119 Ca -0.30 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.92 2jcc h LEU 119 Cb 1.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2jcc h LEU 119 CO 0.27 0.11 0.64 0.03 0.09 0.00 0.00 178.44 179.58 2jcc h ARG 120 N 0.00 0.08 0.00 1.13 3.08 -1.98 -0.29 114.38 116.41 2jcc h ARG 120 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jcc h ARG 120 Cb 0.98 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2jcc h ARG 120 CO 0.01 0.05 0.00 0.09 -1.07 0.00 0.00 179.97 179.06 2jcc n ASN 121 N -4.32 0.57 -4.69 7.04 3.02 -1.23 -4.79 115.26 110.86 2jcc n ASN 121 Ca 0.19 0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 54.98 2jcc n ASN 121 Cb 0.92 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 2jcc n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jcc s VAL 122 N -3.32 4.44 -0.14 2.41 1.01 -0.12 -4.71 120.40 119.97 2jcc s VAL 122 Ca 0.03 1.75 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 2jcc s VAL 122 Cb 0.09 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.38 2jcc s VAL 122 CO 0.34 0.03 0.44 0.28 0.00 0.00 0.00 175.10 176.19 2jcc s THR 123 N 1.93 0.01 0.78 3.92 -1.32 -0.65 -4.73 115.64 115.57 2jcc s THR 123 Ca 0.54 -0.08 -0.12 0.00 -1.21 0.00 0.00 61.69 60.82 2jcc s THR 123 Cb -0.23 -0.65 0.06 0.00 -1.51 0.00 0.00 72.50 70.17 2jcc s THR 123 CO 0.22 -0.04 1.11 -2.84 -2.21 0.00 0.00 174.62 170.86 2jcc s PRO 124 N -0.10 2.27 0.76 7.08 0.02 -1.26 -1.24 135.00 142.53 2jcc s PRO 124 Ca -0.03 0.45 -0.11 0.00 0.02 0.00 0.00 61.00 61.32 2jcc s PRO 124 Cb -0.03 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.58 2jcc s PRO 124 CO 0.02 -1.45 1.09 -1.25 -0.33 0.00 0.00 177.00 175.08 2jcc s PRO 125 N -5.32 2.39 -0.22 5.54 0.04 -1.26 -4.25 135.00 131.92 2jcc s PRO 125 Ca 0.60 0.67 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 2jcc s PRO 125 Cb -0.13 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2jcc s PRO 125 CO 0.52 -1.41 0.08 0.15 0.04 0.00 0.00 177.00 176.38 2jcc s LYS 126 N -5.17 3.82 -0.19 4.56 -0.14 0.35 -4.91 119.74 118.07 2jcc s LYS 126 Ca 0.60 -0.40 -0.04 0.00 -1.36 0.00 0.00 55.97 54.76 2jcc s LYS 126 Cb -0.14 -3.31 -0.02 0.00 -1.68 0.00 0.00 37.83 32.68 2jcc s LYS 126 CO 0.54 0.02 -0.02 0.08 -0.76 0.00 0.00 175.35 175.20 2jcc s VAL 127 N 1.08 3.81 -0.04 3.17 1.01 -1.26 -1.36 120.40 126.82 2jcc s VAL 127 Ca 0.05 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2jcc s VAL 127 Cb -0.14 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2jcc s VAL 127 CO 0.03 0.45 -0.17 -0.44 0.00 0.00 0.00 175.10 174.97 2jcc s SER 128 N 0.86 2.11 -0.35 3.32 0.01 -0.48 -4.60 113.70 114.57 2jcc s SER 128 Ca -0.00 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 56.82 2jcc s SER 128 Cb -0.14 -0.55 0.02 0.00 0.21 0.00 0.00 66.02 65.55 2jcc s SER 128 CO 0.02 0.16 0.17 -0.22 0.41 0.00 0.00 173.24 173.78 2jcc s LEU 129 N -0.00 4.45 -0.09 2.44 2.96 -1.26 -1.23 118.68 125.95 2jcc s LEU 129 Ca -0.03 -0.87 -0.19 0.00 -0.22 0.00 0.00 54.13 52.82 2jcc s LEU 129 Cb -0.11 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2jcc s LEU 129 CO 0.02 -0.32 0.53 -0.36 -1.32 0.00 0.00 176.35 174.90 2jcc s PHE 130 N 1.55 3.55 0.35 5.38 0.40 -0.05 -4.99 117.98 124.16 2jcc s PHE 130 Ca 0.02 1.00 -0.12 0.00 -0.60 0.00 0.00 56.93 57.23 2jcc s PHE 130 Cb -0.18 -2.60 -0.07 0.00 0.51 0.00 0.00 43.02 40.67 2jcc s PHE 130 CO 0.06 0.18 0.72 -1.21 0.70 0.00 0.00 175.22 175.67 2jcc s GLU 131 N 0.53 3.85 0.61 0.44 2.02 -1.26 -2.34 118.70 122.56 2jcc s GLU 131 Ca 0.29 0.49 -0.17 0.00 0.02 0.00 0.00 54.97 55.59 2jcc s GLU 131 Cb -0.16 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 2jcc s GLU 131 CO 0.13 0.08 1.15 -2.14 0.02 0.00 0.00 175.26 174.50 2jcc s PRO 132 N -3.42 2.94 -0.02 0.39 0.02 -1.25 -4.92 135.00 128.75 2jcc s PRO 132 Ca 0.51 1.60 -0.30 0.00 0.02 0.00 0.00 61.00 62.83 2jcc s PRO 132 Cb -0.10 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 2jcc s PRO 132 CO 0.25 -1.17 1.15 0.45 -0.33 0.00 0.00 177.00 177.35 2jcc s SER 133 N -2.04 7.12 0.50 2.53 0.15 -1.26 -4.92 113.70 115.78 2jcc s SER 133 Ca 0.72 1.83 0.22 0.00 0.70 0.00 0.00 55.95 59.42 2jcc s SER 133 Cb -0.25 -2.57 1.29 0.00 -1.71 0.00 0.00 66.02 62.78 2jcc s SER 133 CO 0.35 -0.49 1.97 0.11 1.20 0.00 0.00 173.24 176.38 2jcc h LYS 134 N 7.14 0.13 0.02 5.44 1.57 -1.98 -0.98 116.57 127.92 2jcc h LYS 134 Ca -0.37 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.20 2jcc h LYS 134 Cb 1.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2jcc h LYS 134 CO 0.84 0.09 -0.94 0.00 -0.57 0.00 0.00 179.45 178.87 2jcc h ALA 135 N 1.71 0.45 -0.24 3.86 0.00 -1.98 -2.05 119.26 121.00 2jcc h ALA 135 Ca 0.29 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2jcc h ALA 135 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jcc h ALA 135 CO -0.04 1.04 -0.01 1.49 0.00 0.00 0.00 179.25 181.73 2jcc h GLU 136 N 0.05 0.43 -0.74 0.00 4.81 -1.53 -1.22 114.58 116.38 2jcc h GLU 136 Ca -0.04 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 2jcc h GLU 136 Cb 1.62 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.93 2jcc h GLU 136 CO 0.14 0.62 0.34 0.82 -0.73 0.00 0.00 179.01 180.19 2jcc h ILE 137 N 0.19 1.24 -0.01 2.32 2.04 -1.25 -0.60 117.51 121.44 2jcc h ILE 137 Ca 0.07 -0.68 -0.18 0.00 1.00 0.00 0.00 64.86 65.06 2jcc h ILE 137 Cb 0.43 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2jcc h ILE 137 CO 0.01 0.29 -0.82 0.00 0.00 0.00 0.00 178.15 177.63 2jcc h ALA 138 N 1.32 0.60 0.00 1.87 0.00 -1.33 -2.50 119.26 119.22 2jcc h ALA 138 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jcc h ALA 138 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jcc h ALA 138 CO -0.03 0.90 -1.43 0.09 0.00 0.00 0.00 179.25 178.78 2jcc n ASN 139 N -3.68 0.44 0.00 0.00 3.02 -0.47 -4.60 115.26 109.97 2jcc n ASN 139 Ca -0.03 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2jcc n ASN 139 Cb 0.77 1.27 0.00 0.00 -0.61 0.00 0.00 39.78 41.21 2jcc n ASN 139 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jcc n LYS 140 N -2.16 0.46 -2.47 3.52 5.02 -0.25 -5.02 118.16 117.25 2jcc n LYS 140 Ca -0.01 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.07 2jcc n LYS 140 Cb 0.50 -0.30 -0.01 0.00 -0.02 0.00 0.00 35.03 35.20 2jcc n LYS 140 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2jcc n GLN 141 N -0.07 -2.10 -4.22 1.97 3.00 -0.94 -4.97 117.38 110.05 2jcc n GLN 141 Ca 0.00 0.85 -0.13 0.00 -0.01 0.00 0.00 57.00 57.71 2jcc n GLN 141 Cb 0.10 -5.51 -0.10 0.00 0.00 0.00 0.00 30.24 24.73 2jcc n GLN 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jcc s LYS 142 N -5.10 0.97 -0.07 -1.09 1.02 -1.26 -1.50 119.74 112.70 2jcc s LYS 142 Ca 0.03 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.63 2jcc s LYS 142 Cb -0.01 -0.49 0.03 0.00 -0.52 0.00 0.00 37.83 36.84 2jcc s LYS 142 CO 0.03 0.05 -0.01 0.00 -0.92 0.00 0.00 175.35 174.50 2jcc s ALA 143 N -3.30 0.77 -0.42 5.17 0.00 -0.52 -3.03 121.76 120.43 2jcc s ALA 143 Ca 0.14 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 2jcc s ALA 143 Cb 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.43 2jcc s ALA 143 CO -0.01 -0.43 0.32 0.99 0.00 0.00 0.00 175.76 176.63 2jcc s THR 144 N 1.88 5.25 -0.04 0.00 2.01 -1.26 -1.27 115.64 122.20 2jcc s THR 144 Ca 0.04 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 2jcc s THR 144 Cb -0.12 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2jcc s THR 144 CO -0.05 -0.36 0.73 -0.76 -0.69 0.00 0.00 174.62 173.49 2jcc s LEU 145 N 1.67 4.34 -0.05 4.42 1.02 0.74 -3.87 118.68 126.95 2jcc s LEU 145 Ca 0.05 1.26 0.05 0.00 0.02 0.00 0.00 54.13 55.51 2jcc s LEU 145 Cb -0.20 -3.14 -0.02 0.00 0.02 0.00 0.00 46.19 42.85 2jcc s LEU 145 CO 0.09 -0.11 -0.21 0.54 0.02 0.00 0.00 176.35 176.69 2jcc s VAL 146 N 0.68 2.42 -0.18 -1.59 0.11 -0.99 -0.55 120.40 120.30 2jcc s VAL 146 Ca 0.39 -0.95 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 2jcc s VAL 146 Cb -0.18 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2jcc s VAL 146 CO 0.20 0.57 0.02 0.00 -3.33 0.00 0.00 175.10 172.56 2jcc s LEU 148 N 0.51 2.06 -0.16 0.00 2.96 -0.36 -2.16 118.68 121.53 2jcc s LEU 148 Ca 0.00 -0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 2jcc s LEU 148 Cb -0.13 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 2jcc s LEU 148 CO 0.02 -0.11 0.09 0.00 -1.32 0.00 0.00 176.35 175.03 2jcc s ALA 149 N 1.42 3.60 0.17 5.97 0.00 0.96 -1.39 121.76 132.50 2jcc s ALA 149 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 2jcc s ALA 149 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 2jcc s ALA 149 CO -0.09 0.35 0.16 1.03 0.00 0.00 0.00 175.76 177.21 2jcc s ARG 150 N -0.19 1.12 -0.32 0.00 0.52 -0.46 -1.24 118.95 118.37 2jcc s ARG 150 Ca 0.09 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 2jcc s ARG 150 Cb -0.12 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.65 2jcc s ARG 150 CO 0.01 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.37 2jcc n GLY 151 N -0.20 0.46 3.93 -3.53 0.00 -1.05 -0.50 105.19 104.29 2jcc n GLY 151 Ca -0.03 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2jcc n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jcc s PHE 152 N -1.61 3.50 -0.29 1.61 -0.12 -1.22 -4.71 117.98 115.14 2jcc s PHE 152 Ca 0.00 0.46 -0.15 0.00 -0.05 0.00 0.00 56.93 57.18 2jcc s PHE 152 Cb 0.00 -1.98 0.13 0.00 -0.63 0.00 0.00 43.02 40.54 2jcc s PHE 152 CO 0.00 0.12 0.88 0.12 -0.05 0.00 0.00 175.22 176.29 2jcc s PHE 153 N -2.26 -0.76 0.00 3.49 5.36 -0.37 -1.06 117.98 122.37 2jcc s PHE 153 Ca 0.41 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.87 2jcc s PHE 153 Cb -0.10 0.46 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 2jcc s PHE 153 CO 0.35 -0.38 0.00 -0.35 -1.46 0.00 0.00 175.22 173.38 2jcc n PRO 154 N 4.14 1.09 -1.23 10.12 -0.05 -1.26 -1.64 135.00 146.16 2jcc n PRO 154 Ca -0.17 0.00 -0.30 0.00 -0.05 0.00 0.00 63.50 62.98 2jcc n PRO 154 Cb 0.57 0.00 0.10 0.00 -0.05 0.00 0.00 33.50 34.11 2jcc n PRO 154 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 2jcc n ASP 155 N -0.37 6.58 -4.47 3.54 5.75 -1.26 -4.82 116.55 121.51 2jcc n ASP 155 Ca 0.00 -3.64 -0.44 0.00 -0.01 0.00 0.00 54.79 50.70 2jcc n ASP 155 Cb 0.00 -0.95 -0.00 0.00 -1.03 0.00 0.00 41.12 39.14 2jcc n ASP 155 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2jcc s HIS 156 N -3.42 3.47 0.01 2.11 3.76 -1.26 -4.93 115.29 115.03 2jcc s HIS 156 Ca 0.58 -2.10 0.01 0.00 -0.15 0.00 0.00 55.06 53.41 2jcc s HIS 156 Cb 0.46 -4.33 -0.01 0.00 1.11 0.00 0.00 32.58 29.82 2jcc s HIS 156 CO 0.02 -1.41 -0.04 0.14 -0.85 0.00 0.00 174.74 172.59 2jcc s VAL 157 N 1.70 0.31 0.05 -0.90 -7.23 -1.26 -0.71 120.40 112.36 2jcc s VAL 157 Ca 0.43 -0.45 0.09 0.00 -1.81 0.00 0.00 61.98 60.23 2jcc s VAL 157 Cb -0.03 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 2jcc s VAL 157 CO 0.00 -0.10 -0.25 -1.61 -0.31 0.00 0.00 175.10 172.83 2jcc s GLU 158 N -0.59 1.68 -0.11 4.82 0.41 -0.77 -4.97 118.70 119.17 2jcc s GLU 158 Ca -0.03 -1.08 0.04 0.00 -0.41 0.00 0.00 54.97 53.48 2jcc s GLU 158 Cb -0.04 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.45 2jcc s GLU 158 CO -0.00 0.48 -0.23 -1.17 -0.49 0.00 0.00 175.26 173.85 2jcc s LEU 159 N -1.27 2.07 0.06 1.80 0.20 -1.26 -0.80 118.68 119.48 2jcc s LEU 159 Ca 0.11 -0.56 0.03 0.00 0.69 0.00 0.00 54.13 54.40 2jcc s LEU 159 Cb -0.10 -1.39 -0.03 0.00 -0.43 0.00 0.00 46.19 44.25 2jcc s LEU 159 CO 0.02 0.14 -0.09 -0.94 -0.29 0.00 0.00 176.35 175.19 2jcc s SER 160 N 0.47 1.02 0.01 3.68 1.04 -0.25 -4.99 113.70 114.68 2jcc s SER 160 Ca -0.16 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.67 2jcc s SER 160 Cb -0.17 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 2jcc s SER 160 CO 0.06 -0.23 -0.04 0.26 0.98 0.00 0.00 173.24 174.27 2jcc s TRP 161 N -1.72 2.95 -0.21 5.02 0.52 -1.26 0.21 118.94 124.44 2jcc s TRP 161 Ca -0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 2jcc s TRP 161 Cb -0.08 -1.61 0.06 0.00 -1.15 0.00 0.00 33.47 30.70 2jcc s TRP 161 CO -0.00 0.41 0.04 -1.58 0.02 0.00 0.00 176.95 175.84 2jcc s TRP 162 N -1.06 1.14 -0.24 -1.98 0.52 0.22 -2.08 118.94 115.46 2jcc s TRP 162 Ca 0.19 -0.98 -0.06 0.00 0.02 0.00 0.00 56.10 55.27 2jcc s TRP 162 Cb -0.11 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 2jcc s TRP 162 CO 0.10 -0.65 0.02 0.08 0.02 0.00 0.00 176.95 176.52 2jcc s VAL 163 N 1.82 3.83 -1.45 4.03 1.01 0.26 -1.31 120.40 128.59 2jcc s VAL 163 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 2jcc s VAL 163 Cb -0.17 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.46 2jcc s VAL 163 CO -0.10 0.36 0.95 0.59 0.00 0.00 0.00 175.10 176.89 2jcc n ASN 164 N 4.86 -5.68 0.00 3.32 3.02 -0.55 -2.50 115.26 117.73 2jcc n ASN 164 Ca -0.17 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 2jcc n ASN 164 Cb 0.51 -4.52 0.00 0.00 -0.61 0.00 0.00 39.78 35.16 2jcc n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jcc n GLY 165 N -1.75 3.22 3.84 7.41 0.00 -1.26 -5.02 105.19 111.63 2jcc n GLY 165 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2jcc n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jcc s LYS 166 N -0.50 3.19 -0.06 1.61 1.02 -1.04 -5.04 119.74 118.92 2jcc s LYS 166 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2jcc s LYS 166 Cb 0.00 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 2jcc s LYS 166 CO 0.00 0.63 1.06 -2.00 -0.92 0.00 0.00 175.35 174.12 2jcc s GLU 167 N -2.09 4.43 0.02 1.68 2.12 -1.26 -0.58 118.70 123.02 2jcc s GLU 167 Ca 0.28 1.49 0.02 0.00 0.36 0.00 0.00 54.97 57.12 2jcc s GLU 167 Cb -0.12 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2jcc s GLU 167 CO 0.20 -0.30 0.00 0.14 -0.54 0.00 0.00 175.26 174.76 2jcc s VAL 168 N 1.84 4.14 -0.04 3.70 -7.23 -0.88 -4.94 120.40 116.98 2jcc s VAL 168 Ca 0.52 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2jcc s VAL 168 Cb -0.21 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 2jcc s VAL 168 CO 0.21 0.30 -0.01 1.41 -0.31 0.00 0.00 175.10 176.71 2jcc n HIS 169 N 1.15 0.00 -2.47 2.82 -0.00 -1.26 -4.40 115.22 111.06 2jcc n HIS 169 Ca -0.13 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.19 2jcc n HIS 169 Cb 0.52 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.99 30.28 2jcc n HIS 169 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jcc s SER 170 N -3.82 7.20 -0.69 0.41 0.15 -1.26 -3.12 113.70 112.57 2jcc s SER 170 Ca -0.04 2.26 0.00 0.00 0.70 0.00 0.00 55.95 58.88 2jcc s SER 170 Cb 0.01 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2jcc s SER 170 CO 0.15 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2jcc n GLY 171 N 1.10 0.88 3.59 9.45 0.00 -1.26 -4.94 105.19 114.01 2jcc n GLY 171 Ca -0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2jcc n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcc s VAL 172 N -2.22 3.70 -0.36 1.61 1.01 -1.18 -2.16 120.40 120.80 2jcc s VAL 172 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2jcc s VAL 172 Cb 0.00 -2.57 0.15 0.00 0.00 0.00 0.00 36.38 33.96 2jcc s VAL 172 CO 0.00 0.48 0.37 -0.55 0.00 0.00 0.00 175.10 175.39 2jcc s SER 173 N -1.18 1.21 0.04 3.32 0.15 -0.54 -4.96 113.70 111.74 2jcc s SER 173 Ca 0.15 -1.42 -0.04 0.00 0.70 0.00 0.00 55.95 55.33 2jcc s SER 173 Cb -0.11 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2jcc s SER 173 CO 0.05 -0.28 0.27 0.28 1.20 0.00 0.00 173.24 174.76 2jcc s THR 174 N 1.60 5.31 0.25 6.45 -1.32 -1.26 -0.64 115.64 126.03 2jcc s THR 174 Ca 0.16 -0.01 -0.31 0.00 -1.21 0.00 0.00 61.69 60.31 2jcc s THR 174 Cb -0.15 -3.59 -0.13 0.00 -1.51 0.00 0.00 72.50 67.12 2jcc s THR 174 CO -0.09 0.25 1.44 0.47 -2.21 0.00 0.00 174.62 174.48 2jcc n ASP 175 N 0.72 2.96 -0.16 8.08 8.00 -0.63 -4.90 116.55 130.62 2jcc n ASP 175 Ca -0.08 1.14 -0.06 0.00 0.71 0.00 0.00 54.79 56.50 2jcc n ASP 175 Cb 0.52 -1.46 0.11 0.00 -0.02 0.00 0.00 41.12 40.27 2jcc n ASP 175 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2jcc h PRO 176 N 4.27 0.92 -5.53 -0.24 0.11 -1.97 -3.43 132.00 126.13 2jcc h PRO 176 Ca -0.45 -0.25 -0.51 0.00 0.11 0.00 0.00 66.00 64.89 2jcc h PRO 176 Cb 1.27 -0.10 -0.28 0.00 0.11 0.00 0.00 31.00 31.99 2jcc h PRO 176 CO 0.76 0.89 -0.82 -1.14 -0.21 0.00 0.00 178.00 177.48 2jcc s GLN 177 N -5.05 1.24 0.67 1.05 0.74 -1.26 -5.14 119.66 111.92 2jcc s GLN 177 Ca -0.10 -0.64 -0.17 0.00 0.05 0.00 0.00 55.36 54.50 2jcc s GLN 177 Cb 0.14 -1.22 -0.00 0.00 1.10 0.00 0.00 33.01 33.03 2jcc s GLN 177 CO 0.83 0.33 1.21 0.00 -0.55 0.00 0.00 175.29 177.11 2jcc n ALA 178 N 2.47 0.74 -2.84 1.58 0.00 -1.26 -4.98 120.51 116.21 2jcc n ALA 178 Ca -0.15 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 52.88 2jcc n ALA 178 Cb 0.54 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 2jcc n ALA 178 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jcc s TYR 179 N -1.54 3.22 -0.57 0.00 2.02 0.48 -4.92 117.35 116.03 2jcc s TYR 179 Ca 0.80 0.01 -0.28 0.00 -0.37 0.00 0.00 57.07 57.23 2jcc s TYR 179 Cb -0.37 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 2jcc s TYR 179 CO 0.43 0.12 1.39 0.21 -1.57 0.00 0.00 175.55 176.14 2jcc s LYS 180 N 0.38 3.31 0.08 -0.62 2.20 -1.26 -0.16 119.74 123.67 2jcc s LYS 180 Ca 0.02 0.40 0.17 0.00 -0.36 0.00 0.00 55.97 56.20 2jcc s LYS 180 Cb -0.13 -4.12 -0.12 0.00 -1.51 0.00 0.00 37.83 31.95 2jcc s LYS 180 CO 0.01 -1.94 0.86 1.05 -0.36 0.00 0.00 175.35 174.97 2jcc h GLU 181 N 10.92 0.00 -3.59 4.03 4.11 -1.66 -3.49 114.58 124.91 2jcc h GLU 181 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.11 2jcc h GLU 181 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 2jcc h GLU 181 CO 1.18 0.29 -0.12 0.45 0.07 0.00 0.00 179.01 180.88 2jcc s SER 182 N -5.80 -0.11 0.62 3.06 0.15 -0.62 -4.97 113.70 106.03 2jcc s SER 182 Ca -0.02 -0.76 0.31 0.00 0.70 0.00 0.00 55.95 56.18 2jcc s SER 182 Cb 0.09 0.54 1.72 0.00 -1.71 0.00 0.00 66.02 66.66 2jcc s SER 182 CO 0.81 -1.05 2.06 -1.13 1.20 0.00 0.00 173.24 175.13 2jcc h ASN 186 N 2.31 0.00 0.00 5.45 -0.00 -2.04 -1.62 115.58 119.68 2jcc h ASN 186 Ca -0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 55.99 2jcc h ASN 186 Cb 1.25 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 39.50 2jcc h ASN 186 CO 0.39 0.00 -0.42 -1.22 -0.00 0.00 0.00 177.43 176.18 2jcc n TYR 187 N -3.48 0.00 -3.76 0.67 4.02 -1.26 -5.04 117.16 108.31 2jcc n TYR 187 Ca 0.01 -0.87 -0.13 0.00 -0.01 0.00 0.00 57.90 56.91 2jcc n TYR 187 Cb 0.36 -0.16 -0.13 0.00 -0.02 0.00 0.00 39.34 39.39 2jcc n TYR 187 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2jcc s SER 189 N -2.47 -0.18 0.21 7.72 0.15 -0.61 -4.63 113.70 113.89 2jcc s SER 189 Ca 0.28 0.39 0.11 0.00 0.70 0.00 0.00 55.95 57.42 2jcc s SER 189 Cb 0.27 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 2jcc s SER 189 CO -0.04 -0.13 -0.16 -0.31 1.20 0.00 0.00 173.24 173.80 2jcc s TYR 190 N 0.90 2.44 0.13 3.44 1.51 -0.22 -1.58 117.35 123.96 2jcc s TYR 190 Ca -0.07 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 2jcc s TYR 190 Cb -0.08 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 2jcc s TYR 190 CO -0.05 0.56 -0.13 0.00 -1.11 0.00 0.00 175.55 174.82 2jcc s ALA 191 N -1.91 1.46 -0.19 3.71 0.00 0.78 -2.55 121.76 123.07 2jcc s ALA 191 Ca 0.25 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 2jcc s ALA 191 Cb -0.07 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.06 2jcc s ALA 191 CO 0.13 0.05 0.48 -1.17 0.00 0.00 0.00 175.76 175.26 2jcc s LEU 192 N -2.60 -0.11 0.20 0.00 2.96 -0.38 -0.39 118.68 118.37 2jcc s LEU 192 Ca 0.10 1.01 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 2jcc s LEU 192 Cb -0.03 1.62 -0.05 0.00 0.50 0.00 0.00 46.19 48.23 2jcc s LEU 192 CO 0.02 -0.19 -0.04 -0.94 -1.32 0.00 0.00 176.35 173.88 2jcc s SER 193 N 0.95 1.87 -0.07 3.68 1.04 -1.26 -0.03 113.70 119.88 2jcc s SER 193 Ca -0.06 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 54.93 2jcc s SER 193 Cb -0.06 -0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.12 2jcc s SER 193 CO -0.08 -0.43 0.68 -0.55 0.98 0.00 0.00 173.24 173.84 2jcc s SER 194 N -3.26 -0.67 -0.02 7.02 0.15 -0.92 -1.60 113.70 114.40 2jcc s SER 194 Ca 0.24 0.79 0.01 0.00 0.70 0.00 0.00 55.95 57.69 2jcc s SER 194 Cb 0.04 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.95 2jcc s SER 194 CO 0.06 -0.57 -0.03 -0.13 1.20 0.00 0.00 173.24 173.76 2jcc s ARG 195 N -1.04 2.73 -0.10 5.44 0.52 0.19 -1.30 118.95 125.39 2jcc s ARG 195 Ca -0.10 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 2jcc s ARG 195 Cb -0.01 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.88 2jcc s ARG 195 CO 0.09 0.64 -0.03 -1.17 0.02 0.00 0.00 175.30 174.85 2jcc s LEU 196 N -1.28 0.90 -0.11 2.53 2.96 0.29 -1.47 118.68 122.50 2jcc s LEU 196 Ca 0.16 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2jcc s LEU 196 Cb -0.11 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 2jcc s LEU 196 CO 0.07 -0.17 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.13 2jcc s ARG 197 N 1.85 3.14 0.39 1.98 3.52 -0.92 -0.18 118.95 128.73 2jcc s ARG 197 Ca 0.04 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.90 2jcc s ARG 197 Cb -0.13 -2.44 -0.02 0.00 -1.56 0.00 0.00 34.95 30.80 2jcc s ARG 197 CO -0.07 0.22 0.18 0.14 -0.81 0.00 0.00 175.30 174.96 2jcc s VAL 198 N 0.27 0.39 0.63 7.11 -7.23 -0.40 -4.79 120.40 116.38 2jcc s VAL 198 Ca -0.13 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.89 2jcc s VAL 198 Cb -0.17 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2jcc s VAL 198 CO 0.07 0.00 1.06 -0.94 -0.31 0.00 0.00 175.10 174.98 2jcc s SER 199 N -3.54 5.58 0.15 4.85 1.04 -1.26 -1.43 113.70 119.08 2jcc s SER 199 Ca 0.28 1.80 -0.16 0.00 0.48 0.00 0.00 55.95 58.35 2jcc s SER 199 Cb 0.02 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.63 2jcc s SER 199 CO 0.18 -1.31 1.79 0.00 0.98 0.00 0.00 173.24 174.89 2jcc h ALA 200 N 0.10 0.53 -0.99 5.32 0.00 -1.57 -2.31 119.26 120.34 2jcc h ALA 200 Ca -0.46 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2jcc h ALA 200 Cb 1.22 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2jcc h ALA 200 CO 0.57 0.01 0.65 1.15 0.00 0.00 0.00 179.25 181.63 2jcc h THR 201 N 0.55 1.16 0.39 0.00 2.02 -1.93 0.23 112.91 115.34 2jcc h THR 201 Ca 0.15 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2jcc h THR 201 Cb -0.02 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.21 2jcc h THR 201 CO -0.03 0.23 -0.19 0.15 0.37 0.00 0.00 175.52 176.05 2jcc h PHE 202 N 1.24 -0.49 -0.33 3.16 3.57 -1.83 -0.74 116.94 121.51 2jcc h PHE 202 Ca 0.40 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 2jcc h PHE 202 Cb 0.03 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2jcc h PHE 202 CO -0.00 -0.30 0.08 2.35 -2.23 0.00 0.00 178.31 178.21 2jcc h TRP 203 N -0.53 0.48 0.00 0.41 2.91 -1.29 -2.46 115.95 115.48 2jcc h TRP 203 Ca -0.05 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.94 2jcc h TRP 203 Cb 0.40 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 2jcc h TRP 203 CO -0.05 0.43 0.00 0.72 -1.03 0.00 0.00 178.44 178.51 2jcc n HIS 204 N -4.36 0.00 -3.30 2.65 8.25 0.81 -2.28 115.22 116.99 2jcc n HIS 204 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2jcc n HIS 204 Cb 0.18 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.20 2jcc n HIS 204 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2jcc s ASN 205 N -1.44 6.22 0.00 0.41 2.47 -0.36 -4.53 114.94 117.71 2jcc s ASN 205 Ca 0.16 -0.46 0.08 0.00 0.42 0.00 0.00 52.86 53.05 2jcc s ASN 205 Cb 0.07 -2.23 0.43 0.00 -1.45 0.00 0.00 41.25 38.07 2jcc s ASN 205 CO 0.12 -0.54 0.96 -2.65 -3.72 0.00 0.00 177.10 171.28 2jcc n PRO 206 N 5.65 0.20 0.09 0.43 -0.02 -1.26 -1.42 135.00 138.67 2jcc n PRO 206 Ca -0.07 0.06 -0.10 0.00 -2.02 0.00 0.00 63.50 61.37 2jcc n PRO 206 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 2jcc n PRO 206 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2jcc h ARG 207 N 0.00 -0.29 -6.79 -0.52 1.12 -1.91 -3.42 114.38 102.56 2jcc h ARG 207 Ca 0.00 0.02 -0.53 0.00 -1.11 0.00 0.00 59.98 58.36 2jcc h ARG 207 Cb 0.02 0.07 0.08 0.00 -0.01 0.00 0.00 29.97 30.13 2jcc h ARG 207 CO 0.00 0.07 0.91 -0.80 -3.11 0.00 0.00 179.97 177.04 2jcc s ASN 208 N -5.32 6.35 -0.18 -3.80 0.01 -0.51 -4.81 114.94 106.68 2jcc s ASN 208 Ca -0.12 2.96 0.01 0.00 -0.71 0.00 0.00 52.86 55.00 2jcc s ASN 208 Cb 0.01 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 39.07 2jcc s ASN 208 CO 0.43 -0.94 -0.10 -2.28 -1.51 0.00 0.00 177.10 172.70 2jcc s HIS 209 N 0.13 2.25 -0.01 2.20 5.65 -1.26 -1.19 115.29 123.06 2jcc s HIS 209 Ca 0.65 -1.42 0.01 0.00 0.25 0.00 0.00 55.06 54.54 2jcc s HIS 209 Cb -0.48 -1.58 -0.04 0.00 -1.18 0.00 0.00 32.58 29.30 2jcc s HIS 209 CO 0.46 -0.71 0.01 -0.06 -0.65 0.00 0.00 174.74 173.80 2jcc s PHE 210 N 1.45 3.10 -0.20 3.88 0.08 -0.23 -1.48 117.98 124.58 2jcc s PHE 210 Ca 0.01 0.10 -0.08 0.00 0.12 0.00 0.00 56.93 57.07 2jcc s PHE 210 Cb -0.15 -1.69 0.08 0.00 -0.57 0.00 0.00 43.02 40.70 2jcc s PHE 210 CO -0.09 0.47 0.45 0.50 -0.10 0.00 0.00 175.22 176.45 2jcc s ARG 211 N -1.51 0.38 -0.15 0.44 3.52 -0.43 -1.64 118.95 119.56 2jcc s ARG 211 Ca 0.19 1.01 -0.07 0.00 -0.13 0.00 0.00 55.73 56.73 2jcc s ARG 211 Cb -0.12 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2jcc s ARG 211 CO 0.10 -0.22 0.10 0.00 -0.81 0.00 0.00 175.30 174.47 2jcc s GLN 213 N -0.28 2.04 -0.22 0.00 0.74 0.13 -2.38 119.66 119.70 2jcc s GLN 213 Ca 0.10 -0.97 0.01 0.00 0.05 0.00 0.00 55.36 54.54 2jcc s GLN 213 Cb -0.12 -2.04 0.05 0.00 1.10 0.00 0.00 33.01 32.01 2jcc s GLN 213 CO 0.01 0.55 -0.07 0.08 -0.55 0.00 0.00 175.29 175.31 2jcc s VAL 214 N -0.68 1.53 -0.27 1.34 1.01 -0.52 -1.09 120.40 121.72 2jcc s VAL 214 Ca 0.11 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 2jcc s VAL 214 Cb -0.10 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2jcc s VAL 214 CO 0.00 -0.01 1.04 -1.58 0.00 0.00 0.00 175.10 174.55 2jcc s GLN 215 N 1.41 4.17 -0.29 2.72 0.74 0.02 -2.37 119.66 126.07 2jcc s GLN 215 Ca -0.04 1.21 -0.10 0.00 0.05 0.00 0.00 55.36 56.48 2jcc s GLN 215 Cb -0.18 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 2jcc s GLN 215 CO -0.07 -0.74 0.16 0.12 -0.55 0.00 0.00 175.29 174.21 2jcc s PHE 216 N 3.36 3.18 -0.21 1.67 5.36 -0.11 -1.85 117.98 129.38 2jcc s PHE 216 Ca 0.44 -0.28 -0.19 0.00 -0.96 0.00 0.00 56.93 55.94 2jcc s PHE 216 Cb -0.14 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 2jcc s PHE 216 CO 0.10 -0.33 0.56 -1.01 -1.46 0.00 0.00 175.22 173.08 2jcc s HIS 217 N 1.67 3.36 0.00 10.12 3.76 0.12 -1.41 115.29 132.91 2jcc s HIS 217 Ca 0.06 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.79 2jcc s HIS 217 Cb -0.16 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.80 2jcc s HIS 217 CO 0.08 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.23 2jcc n GLY 218 N 3.91 3.21 3.95 -2.22 0.00 -1.26 -4.56 105.19 108.22 2jcc n GLY 218 Ca -0.03 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2jcc n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jcc s LEU 219 N 0.00 4.15 0.54 0.99 1.43 -1.11 -4.28 118.68 120.39 2jcc s LEU 219 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2jcc s LEU 219 Cb 0.00 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 43.13 2jcc s LEU 219 CO 0.00 -0.19 0.75 -0.44 0.23 0.00 0.00 176.35 176.70 2jcc s SER 220 N -3.96 5.30 0.53 2.29 0.01 -1.26 -3.82 113.70 112.79 2jcc s SER 220 Ca 0.37 -0.11 0.35 0.00 1.31 0.00 0.00 55.95 57.87 2jcc s SER 220 Cb -0.09 -0.78 1.57 0.00 0.21 0.00 0.00 66.02 66.92 2jcc s SER 220 CO 0.33 -1.11 2.03 -0.08 0.41 0.00 0.00 173.24 174.82 2jcc h GLU 221 N 0.14 0.00 0.00 12.44 4.81 -2.03 -1.99 114.58 127.96 2jcc h GLU 221 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2jcc h GLU 221 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2jcc h GLU 221 CO 0.50 0.00 0.00 0.93 -0.73 0.00 0.00 179.01 179.71 2jcc h GLU 222 N 0.00 0.00 -6.18 1.92 4.39 -2.05 -3.45 114.58 109.22 2jcc h GLU 222 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2jcc h GLU 222 Cb 0.35 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 2jcc h GLU 222 CO 0.00 0.00 0.30 -0.51 -1.16 0.00 0.00 179.01 177.64 2jcc s ASP 223 N -5.61 7.15 0.22 1.42 1.01 -0.75 -5.03 116.67 115.08 2jcc s ASP 223 Ca 0.07 1.39 -0.29 0.00 0.71 0.00 0.00 52.55 54.43 2jcc s ASP 223 Cb 0.08 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 2jcc s ASP 223 CO 0.63 -0.26 0.92 -0.54 0.21 0.00 0.00 175.17 176.13 2jcc s LYS 224 N 1.28 4.81 -0.02 8.23 1.02 -1.26 -4.88 119.74 128.93 2jcc s LYS 224 Ca 0.44 1.45 -0.01 0.00 0.02 0.00 0.00 55.97 57.87 2jcc s LYS 224 Cb -0.19 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 2jcc s LYS 224 CO 0.20 0.49 0.03 -0.46 -0.92 0.00 0.00 175.35 174.70 2jcc s TRP 225 N -1.06 -0.01 0.37 3.18 -0.11 -1.26 -5.08 118.94 114.97 2jcc s TRP 225 Ca 0.41 0.12 -0.27 0.00 1.22 0.00 0.00 56.10 57.58 2jcc s TRP 225 Cb -0.25 -0.11 -0.09 0.00 -1.50 0.00 0.00 33.47 31.52 2jcc s TRP 225 CO 0.31 -0.06 1.24 -1.25 -4.62 0.00 0.00 176.95 172.57 2jcc s PRO 226 N 0.57 4.19 0.05 5.86 0.04 -1.26 -4.97 135.00 139.48 2jcc s PRO 226 Ca -0.05 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 2jcc s PRO 226 Cb -0.07 -2.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 2jcc s PRO 226 CO -0.02 -0.27 1.18 -1.21 0.04 0.00 0.00 177.00 176.72 2jcc s GLU 227 N -2.04 4.44 0.00 4.56 8.01 -1.26 -3.84 118.70 128.57 2jcc s GLU 227 Ca 0.53 1.73 0.00 0.00 0.01 0.00 0.00 54.97 57.24 2jcc s GLU 227 Cb -0.35 -3.36 0.00 0.00 -4.31 0.00 0.00 34.13 26.10 2jcc s GLU 227 CO 0.46 -0.24 0.00 0.41 0.01 0.00 0.00 175.26 175.90 2jcc n GLY 228 N 3.19 1.18 3.71 -1.39 0.00 -1.26 -5.10 105.19 105.52 2jcc n GLY 228 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2jcc n GLY 228 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jcc s SER 229 N -0.46 5.20 0.40 1.61 0.15 -1.25 -5.11 113.70 114.23 2jcc s SER 229 Ca 0.00 -0.04 -0.26 0.00 0.70 0.00 0.00 55.95 56.35 2jcc s SER 229 Cb 0.00 -1.34 -0.09 0.00 -1.71 0.00 0.00 66.02 62.88 2jcc s SER 229 CO 0.00 0.23 1.30 -2.84 1.20 0.00 0.00 173.24 173.13 2jcc s PRO 230 N -1.90 4.00 -0.12 5.44 0.02 -1.26 -4.92 135.00 136.25 2jcc s PRO 230 Ca 0.23 2.15 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 2jcc s PRO 230 Cb -0.12 -2.78 -0.02 0.00 0.02 0.00 0.00 34.50 31.61 2jcc s PRO 230 CO 0.15 -0.47 1.20 0.21 -0.33 0.00 0.00 177.00 177.76 2jcc s LYS 231 N -2.21 4.29 -1.16 5.54 2.20 -1.26 -4.93 119.74 122.22 2jcc s LYS 231 Ca 0.56 1.63 -0.08 0.00 -0.36 0.00 0.00 55.97 57.72 2jcc s LYS 231 Cb -0.38 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.20 2jcc s LYS 231 CO 0.49 -0.57 2.57 -0.35 -0.36 0.00 0.00 175.35 177.13 2jcc n PRO 232 N 5.92 2.77 -0.81 4.03 -0.04 -1.26 -4.92 135.00 140.69 2jcc n PRO 232 Ca 0.12 -1.73 -0.30 0.00 -0.04 0.00 0.00 63.50 61.55 2jcc n PRO 232 Cb 0.46 -2.56 0.26 0.00 -0.04 0.00 0.00 33.50 31.62 2jcc n PRO 232 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jcc s VAL 233 N 2.68 1.46 0.05 0.52 -7.23 -1.26 -2.76 120.40 113.86 2jcc s VAL 233 Ca 0.54 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.41 2jcc s VAL 233 Cb 0.15 -2.32 -0.08 0.00 0.56 0.00 0.00 36.38 34.69 2jcc s VAL 233 CO -0.04 0.00 1.70 -0.89 -0.31 0.00 0.00 175.10 175.56 2jcc s THR 234 N -2.72 3.09 0.13 5.32 2.01 -1.25 -4.37 115.64 117.84 2jcc s THR 234 Ca 0.70 0.44 -0.15 0.00 0.31 0.00 0.00 61.69 62.99 2jcc s THR 234 Cb -0.11 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.14 2jcc s THR 234 CO 0.57 -0.01 0.39 0.00 -0.69 0.00 0.00 174.62 174.88 2jcc s GLN 235 N 3.08 1.07 -0.15 4.92 -2.07 -0.50 -4.96 119.66 121.06 2jcc s GLN 235 Ca 0.76 -0.74 -0.06 0.00 -1.82 0.00 0.00 55.36 53.49 2jcc s GLN 235 Cb -0.39 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 2jcc s GLN 235 CO 0.33 -0.42 0.08 -0.80 -1.32 0.00 0.00 175.29 173.16 2jcc s ASN 236 N -2.82 5.81 -0.13 12.60 0.01 -1.26 -0.93 114.94 128.22 2jcc s ASN 236 Ca 0.04 0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 52.40 2jcc s ASN 236 Cb 0.02 -1.90 0.03 0.00 0.41 0.00 0.00 41.25 39.81 2jcc s ASN 236 CO -0.11 0.28 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.06 2jcc s ILE 237 N -0.28 1.02 0.10 0.60 1.01 -1.00 -4.98 121.20 117.67 2jcc s ILE 237 Ca 0.09 -0.36 0.10 0.00 0.00 0.00 0.00 60.65 60.47 2jcc s ILE 237 Cb -0.12 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 2jcc s ILE 237 CO 0.01 0.30 -0.25 -0.44 0.00 0.00 0.00 174.94 174.56 2jcc s SER 238 N 1.70 3.36 0.13 3.58 0.01 -1.26 -1.44 113.70 119.78 2jcc s SER 238 Ca 0.04 -0.66 0.09 0.00 1.31 0.00 0.00 55.95 56.73 2jcc s SER 238 Cb -0.13 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2jcc s SER 238 CO -0.08 0.21 -0.22 0.00 0.41 0.00 0.00 173.24 173.55 2jcc s ALA 239 N -0.98 2.06 0.14 1.44 0.00 -1.00 -4.94 121.76 118.47 2jcc s ALA 239 Ca 0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 2jcc s ALA 239 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2jcc s ALA 239 CO 0.05 0.40 0.08 -1.83 0.00 0.00 0.00 175.76 174.46 2jcc s GLU 240 N -2.15 0.96 0.07 0.00 -1.05 -1.26 -2.06 118.70 113.21 2jcc s GLU 240 Ca 0.11 -1.43 -0.26 0.00 -0.15 0.00 0.00 54.97 53.25 2jcc s GLU 240 Cb -0.09 0.26 0.08 0.00 -0.44 0.00 0.00 34.13 33.93 2jcc s GLU 240 CO 0.06 -0.28 0.68 0.00 0.95 0.00 0.00 175.26 176.66 2jcc s ALA 241 N -4.05 -1.69 0.45 -0.84 0.00 -0.65 -4.94 121.76 110.04 2jcc s ALA 241 Ca 0.24 0.81 0.07 0.00 0.00 0.00 0.00 51.96 53.08 2jcc s ALA 241 Cb 0.07 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 2jcc s ALA 241 CO 0.02 -0.64 0.28 -1.58 0.00 0.00 0.00 175.76 173.83 2jcc s TRP 242 N -2.95 2.37 0.54 0.00 0.51 -1.26 -1.07 118.94 117.08 2jcc s TRP 242 Ca -0.01 -0.64 -0.19 0.00 -2.12 0.00 0.00 56.10 53.14 2jcc s TRP 242 Cb -0.01 -1.99 -0.06 0.00 -0.81 0.00 0.00 33.47 30.60 2jcc s TRP 242 CO -0.06 -0.05 1.10 0.20 -0.51 0.00 0.00 176.95 177.63 2jcc s GLY 243 N -4.05 2.53 0.02 0.98 0.00 -0.33 -4.95 107.32 101.51 2jcc s GLY 243 Ca 0.40 0.72 -0.03 0.00 0.00 0.00 0.00 44.72 45.80 2jcc s GLY 243 CO 0.23 1.06 0.04 0.50 0.00 0.00 0.00 173.10 174.93 2jcc s ARG 244 N -3.39 0.41 0.00 2.90 0.52 -0.97 -4.31 118.95 114.11 2jcc s ARG 244 Ca 0.70 -0.57 0.11 0.00 -0.52 0.00 0.00 55.73 55.46 2jcc s ARG 244 Cb -0.21 0.16 0.66 0.00 0.52 0.00 0.00 34.95 36.08 2jcc s ARG 244 CO 0.27 -0.08 1.10 0.00 0.02 0.00 0.00 175.30 176.61