#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcc n ALA 2 N 0.00 -2.75 -3.84 0.62 0.00 -1.26 -5.00 120.51 108.27 2jcc n ALA 2 Ca 0.00 0.67 -0.34 0.00 0.00 0.00 0.00 53.44 53.77 2jcc n ALA 2 Cb 0.00 -2.80 -0.15 0.00 0.00 0.00 0.00 19.45 16.50 2jcc n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jcc s ALA 3 N -2.49 2.58 -0.10 0.00 0.00 -1.26 -4.91 121.76 115.58 2jcc s ALA 3 Ca 0.21 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2jcc s ALA 3 Cb -0.04 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2jcc s ALA 3 CO 0.80 -0.56 0.08 0.08 0.00 0.00 0.00 175.76 176.16 2jcc s VAL 4 N 1.34 4.96 0.13 0.00 1.01 -1.26 -4.23 120.40 122.34 2jcc s VAL 4 Ca 0.03 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.07 2jcc s VAL 4 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2jcc s VAL 4 CO -0.08 0.59 -0.23 0.42 0.00 0.00 0.00 175.10 175.81 2jcc s THR 5 N -0.99 1.95 0.03 3.92 -4.23 -0.50 -4.29 115.64 111.54 2jcc s THR 5 Ca 0.15 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2jcc s THR 5 Cb -0.12 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 2jcc s THR 5 CO 0.04 -0.06 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.85 2jcc s GLN 6 N -2.17 0.73 -0.11 3.99 -0.21 -1.26 -1.15 119.66 119.47 2jcc s GLN 6 Ca 0.12 -0.67 -0.19 0.00 0.02 0.00 0.00 55.36 54.64 2jcc s GLN 6 Cb -0.09 -0.67 0.04 0.00 1.00 0.00 0.00 33.01 33.29 2jcc s GLN 6 CO 0.06 0.16 0.47 -1.54 -2.12 0.00 0.00 175.29 172.32 2jcc s SER 7 N -1.10 -0.45 0.86 5.90 1.04 -0.64 -4.46 113.70 114.85 2jcc s SER 7 Ca -0.02 0.67 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 2jcc s SER 7 Cb -0.07 0.71 0.11 0.00 0.10 0.00 0.00 66.02 66.87 2jcc s SER 7 CO 0.01 -0.33 1.12 -2.16 0.98 0.00 0.00 173.24 172.86 2jcc s PRO 8 N -0.48 1.56 0.32 4.02 0.04 -1.26 -0.96 135.00 138.24 2jcc s PRO 8 Ca -0.06 0.42 0.24 0.00 0.04 0.00 0.00 61.00 61.64 2jcc s PRO 8 Cb -0.03 -1.88 0.44 0.00 0.04 0.00 0.00 34.50 33.07 2jcc s PRO 8 CO 0.03 -1.94 1.57 0.00 0.04 0.00 0.00 177.00 176.71 2jcc h ARG 9 N -1.31 0.00 -2.83 4.56 2.47 -1.85 -3.43 114.38 111.98 2jcc h ARG 9 Ca -0.49 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.17 2jcc h ARG 9 Cb 1.31 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.47 2jcc h ARG 9 CO 0.61 0.00 0.03 0.45 0.56 0.00 0.00 179.97 181.62 2jcc s SER 10 N -5.48 -0.42 -0.27 7.04 0.15 -1.26 -2.26 113.70 111.21 2jcc s SER 10 Ca 0.07 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.66 2jcc s SER 10 Cb 0.08 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 2jcc s SER 10 CO 0.67 -0.73 0.67 -0.75 1.20 0.00 0.00 173.24 174.30 2jcc s LYS 11 N -2.57 0.72 -0.17 5.44 2.47 -0.63 -4.95 119.74 120.05 2jcc s LYS 11 Ca -0.05 1.11 -0.01 0.00 -1.56 0.00 0.00 55.97 55.46 2jcc s LYS 11 Cb -0.01 0.22 -0.00 0.00 -1.46 0.00 0.00 37.83 36.58 2jcc s LYS 11 CO -0.03 -0.13 -0.12 0.08 0.16 0.00 0.00 175.35 175.31 2jcc s VAL 12 N 1.17 2.90 0.12 4.02 1.01 -1.26 -1.99 120.40 126.36 2jcc s VAL 12 Ca -0.06 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.30 2jcc s VAL 12 Cb -0.05 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2jcc s VAL 12 CO -0.12 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.31 2jcc s ALA 13 N 0.98 1.61 0.09 5.51 0.00 -0.23 -4.93 121.76 124.79 2jcc s ALA 13 Ca -0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 2jcc s ALA 13 Cb -0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2jcc s ALA 13 CO -0.02 0.19 0.32 0.08 0.00 0.00 0.00 175.76 176.33 2jcc s VAL 14 N -1.82 5.24 0.17 0.00 1.01 -1.26 -0.39 120.40 123.35 2jcc s VAL 14 Ca 0.08 -0.01 -0.32 0.00 0.00 0.00 0.00 61.98 61.73 2jcc s VAL 14 Cb -0.07 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 2jcc s VAL 14 CO 0.04 0.14 1.77 0.35 0.00 0.00 0.00 175.10 177.39 2jcc n THR 15 N 0.38 0.15 -0.46 3.92 -2.24 -0.30 -1.94 114.28 113.78 2jcc n THR 15 Ca -0.05 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jcc n THR 15 Cb 0.52 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 2jcc n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jcc n GLY 16 N 4.05 0.75 3.92 3.38 0.00 0.05 -4.90 105.19 112.44 2jcc n GLY 16 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.69 1.55 -0.15 -0.02 0.00 -0.82 -4.66 107.32 101.53 2jcc s GLY 17 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.79 2jcc s GLY 17 CO 0.00 -0.66 0.53 1.25 0.00 0.00 0.00 173.10 174.22 2jcc s LYS 18 N -4.06 4.27 -0.05 2.90 2.20 -1.26 -2.11 119.74 121.63 2jcc s LYS 18 Ca 0.42 0.48 0.05 0.00 -0.36 0.00 0.00 55.97 56.57 2jcc s LYS 18 Cb -0.10 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 2jcc s LYS 18 CO 0.35 -0.01 -0.22 0.08 -0.36 0.00 0.00 175.35 175.19 2jcc s VAL 19 N 1.17 1.79 -0.21 4.02 1.01 -0.11 -5.01 120.40 123.05 2jcc s VAL 19 Ca 0.26 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2jcc s VAL 19 Cb -0.15 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.76 2jcc s VAL 19 CO 0.11 0.50 -0.01 -0.89 0.00 0.00 0.00 175.10 174.80 2jcc s THR 20 N -0.04 1.07 0.02 3.92 2.01 -1.26 -0.49 115.64 120.86 2jcc s THR 20 Ca -0.05 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 60.84 2jcc s THR 20 Cb -0.13 -1.44 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 2jcc s THR 20 CO 0.03 -0.14 0.60 -0.76 -0.69 0.00 0.00 174.62 173.67 2jcc s LEU 21 N 1.61 4.44 0.09 4.42 1.43 -0.29 -4.68 118.68 125.71 2jcc s LEU 21 Ca -0.03 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.34 2jcc s LEU 21 Cb -0.18 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2jcc s LEU 21 CO -0.07 0.13 -0.14 -0.44 0.23 0.00 0.00 176.35 176.06 2jcc s SER 22 N -0.36 4.15 0.03 2.29 0.01 -0.13 -1.30 113.70 118.40 2jcc s SER 22 Ca 0.31 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 57.18 2jcc s SER 22 Cb -0.19 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 2jcc s SER 22 CO 0.18 0.20 -0.12 0.00 0.41 0.00 0.00 173.24 173.90 2jcc s HIS 24 N -0.80 0.14 -0.25 0.00 2.46 -0.30 -2.93 115.29 113.61 2jcc s HIS 24 Ca 0.01 -0.11 -0.09 0.00 0.47 0.00 0.00 55.06 55.34 2jcc s HIS 24 Cb -0.07 -0.09 0.11 0.00 -0.13 0.00 0.00 32.58 32.39 2jcc s HIS 24 CO 0.01 -0.03 0.53 -1.14 -2.47 0.00 0.00 174.74 171.64 2jcc s GLN 25 N -0.28 0.46 -0.30 2.88 -0.44 -0.78 -1.41 119.66 119.79 2jcc s GLN 25 Ca -0.02 1.22 0.10 0.00 -2.50 0.00 0.00 55.36 54.16 2jcc s GLN 25 Cb -0.02 0.56 0.55 0.00 -1.64 0.00 0.00 33.01 32.46 2jcc s GLN 25 CO -0.00 -0.22 1.55 0.25 0.50 0.00 0.00 175.29 177.37 2jcc n THR 26 N 5.33 2.63 0.43 -0.34 -2.24 -1.26 -4.38 114.28 114.45 2jcc n THR 26 Ca -0.11 -2.39 0.10 0.00 -2.27 0.00 0.00 64.05 59.37 2jcc n THR 26 Cb 0.50 -0.33 0.26 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.95 2.84 -3.80 3.42 3.02 -1.26 -4.92 115.26 113.60 2jcc n ASN 27 Ca 0.36 -1.95 -0.28 0.00 -0.03 0.00 0.00 54.58 52.68 2jcc n ASN 27 Cb 1.13 -0.30 0.05 0.00 -0.61 0.00 0.00 39.78 40.05 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 1.06 -5.39 -4.76 6.41 2.85 -1.26 -5.00 115.26 109.17 2jcc n ASN 28 Ca 0.18 -0.69 -0.37 0.00 -0.11 0.00 0.00 54.58 53.59 2jcc n ASN 28 Cb 0.47 -4.31 -0.07 0.00 1.24 0.00 0.00 39.78 37.11 2jcc n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jcc s HIS 29 N -3.31 3.53 -0.21 1.20 3.76 -1.26 -4.96 115.29 114.04 2jcc s HIS 29 Ca 0.64 0.70 0.17 0.00 -0.15 0.00 0.00 55.06 56.42 2jcc s HIS 29 Cb -0.30 -2.33 0.08 0.00 1.11 0.00 0.00 32.58 31.13 2jcc s HIS 29 CO 0.79 0.34 1.35 -0.44 -0.85 0.00 0.00 174.74 175.93 2jcc h ASP 30 N 6.21 0.00 -3.68 1.40 3.32 -1.86 -3.46 116.42 118.35 2jcc h ASP 30 Ca -0.44 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.99 2jcc h ASP 30 Cb 1.18 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 2jcc h ASP 30 CO 0.72 0.39 -0.47 -0.31 -1.72 0.00 0.00 179.24 177.85 2jcc s TYR 31 N -3.03 3.29 0.14 4.55 1.51 -0.99 -3.44 117.35 119.38 2jcc s TYR 31 Ca 0.03 0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.40 2jcc s TYR 31 Cb 0.07 -2.35 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 2jcc s TYR 31 CO 0.75 -0.03 -0.16 -1.64 -1.11 0.00 0.00 175.55 173.36 2jcc s MET 32 N 1.37 1.14 -0.00 -0.62 -1.94 -0.54 -1.15 119.30 117.56 2jcc s MET 32 Ca 0.09 -1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 52.69 2jcc s MET 32 Cb -0.15 -1.08 -0.00 0.00 2.01 0.00 0.00 34.83 35.61 2jcc s MET 32 CO 0.07 0.21 0.09 0.71 -0.01 0.00 0.00 175.02 176.09 2jcc s TYR 33 N -2.19 0.06 -0.14 -0.03 1.51 0.43 -1.78 117.35 115.20 2jcc s TYR 33 Ca 0.13 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2jcc s TYR 33 Cb -0.05 -0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.74 2jcc s TYR 33 CO 0.05 -0.20 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.54 2jcc s TRP 34 N -1.04 2.75 0.31 2.71 0.52 -0.82 -0.21 118.94 123.17 2jcc s TRP 34 Ca -0.11 -1.01 0.09 0.00 0.02 0.00 0.00 56.10 55.08 2jcc s TRP 34 Cb -0.06 -1.86 -0.06 0.00 -1.15 0.00 0.00 33.47 30.34 2jcc s TRP 34 CO 0.01 -0.44 -0.10 0.71 0.02 0.00 0.00 176.95 177.14 2jcc s TYR 35 N 0.70 2.23 -0.00 -1.98 1.51 0.31 -1.01 117.35 119.10 2jcc s TYR 35 Ca -0.08 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 2jcc s TYR 35 Cb -0.16 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 2jcc s TYR 35 CO 0.02 0.50 -0.10 -0.98 -1.11 0.00 0.00 175.55 173.88 2jcc s ARG 36 N -3.63 0.82 -0.13 -0.62 1.70 -0.56 -1.28 118.95 115.23 2jcc s ARG 36 Ca 0.31 -0.39 -0.02 0.00 -0.47 0.00 0.00 55.73 55.16 2jcc s ARG 36 Cb 0.02 -0.79 -0.03 0.00 -0.57 0.00 0.00 34.95 33.59 2jcc s ARG 36 CO 0.15 0.21 -0.06 -1.14 -1.08 0.00 0.00 175.30 173.38 2jcc s GLN 37 N -0.32 3.43 0.30 3.89 0.74 0.14 -2.28 119.66 125.55 2jcc s GLN 37 Ca 0.03 -0.56 0.03 0.00 0.05 0.00 0.00 55.36 54.92 2jcc s GLN 37 Cb -0.04 -2.79 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 2jcc s GLN 37 CO -0.00 0.32 0.28 -0.51 -0.55 0.00 0.00 175.29 174.83 2jcc s ASP 38 N 0.11 1.13 -0.06 6.67 1.01 -1.07 -3.14 116.67 121.32 2jcc s ASP 38 Ca -0.02 -1.60 -0.19 0.00 0.71 0.00 0.00 52.55 51.45 2jcc s ASP 38 Cb -0.14 0.53 -0.05 0.00 1.01 0.00 0.00 42.92 44.28 2jcc s ASP 38 CO 0.03 -1.05 0.52 -0.89 0.21 0.00 0.00 175.17 173.99 2jcc s THR 39 N -3.57 5.06 -1.95 -1.27 2.01 -1.26 -2.76 115.64 111.90 2jcc s THR 39 Ca 0.38 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.45 2jcc s THR 39 Cb 0.03 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.68 2jcc s THR 39 CO 0.22 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 2jcc n GLY 40 N 2.77 0.43 0.00 4.40 0.00 -1.26 -4.74 105.19 106.80 2jcc n GLY 40 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.41 0.00 -1.56 1.61 -0.00 -1.25 -5.14 115.22 105.47 2jcc n HIS 41 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 2jcc n HIS 41 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 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 0.00 3.39 3.37 -1.41 0.00 -1.11 -4.44 105.19 104.98 2jcc n GLY 42 Ca 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2jcc n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jcc s LEU 43 N 0.00 4.37 -0.16 0.99 1.43 -1.26 -2.60 118.68 121.45 2jcc s LEU 43 Ca 0.00 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2jcc s LEU 43 Cb 0.00 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2jcc s LEU 43 CO 0.00 -0.30 -0.09 -0.13 0.23 0.00 0.00 176.35 176.05 2jcc s ARG 44 N 1.53 3.42 0.26 1.70 0.52 -0.97 -4.94 118.95 120.48 2jcc s ARG 44 Ca 0.02 -0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 54.29 2jcc s ARG 44 Cb -0.18 -2.77 -0.10 0.00 0.52 0.00 0.00 34.95 32.42 2jcc s ARG 44 CO 0.05 0.10 1.29 -1.17 0.02 0.00 0.00 175.30 175.60 2jcc s LEU 45 N 0.66 4.43 -0.14 2.53 2.96 -1.26 -1.50 118.68 126.36 2jcc s LEU 45 Ca -0.05 2.52 -0.10 0.00 -0.22 0.00 0.00 54.13 56.28 2jcc s LEU 45 Cb -0.15 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.85 2jcc s LEU 45 CO 0.02 -0.50 -0.23 -0.38 -1.32 0.00 0.00 176.35 173.95 2jcc n ILE 46 N 1.72 1.13 -3.87 6.68 5.41 -0.18 -1.77 119.36 128.49 2jcc n ILE 46 Ca 0.03 -0.06 -0.10 0.00 1.00 0.00 0.00 62.75 63.62 2jcc n ILE 46 Cb 0.42 -1.86 -0.08 0.00 -0.71 0.00 0.00 39.64 37.41 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 -2.42 0.12 0.24 1.39 3.76 -1.25 -0.79 115.29 116.35 2jcc s HIS 47 Ca -0.22 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.18 2jcc s HIS 47 Cb 0.07 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.68 2jcc s HIS 47 CO 0.30 -0.46 0.35 1.52 -0.85 0.00 0.00 174.74 175.59 2jcc s TYR 48 N -3.07 0.74 -0.15 1.40 1.13 -0.32 -1.95 117.35 115.13 2jcc s TYR 48 Ca -0.01 -1.03 -0.10 0.00 -1.41 0.00 0.00 57.07 54.52 2jcc s TYR 48 Cb 0.01 -0.12 0.05 0.00 -1.10 0.00 0.00 41.96 40.80 2jcc s TYR 48 CO -0.07 -0.88 0.37 0.45 -2.51 0.00 0.00 175.55 172.91 2jcc s SER 49 N -3.10 -0.42 -0.00 -0.18 0.15 -0.74 0.01 113.70 109.42 2jcc s SER 49 Ca 0.29 0.77 0.12 0.00 0.70 0.00 0.00 55.95 57.83 2jcc s SER 49 Cb 0.02 0.71 -0.14 0.00 -1.71 0.00 0.00 66.02 64.90 2jcc s SER 49 CO 0.11 -0.16 0.49 0.00 1.20 0.00 0.00 173.24 174.89 2jcc n TYR 50 N 3.63 0.00 -3.50 3.44 0.18 -1.26 -1.47 117.16 118.18 2jcc n TYR 50 Ca -0.19 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.44 2jcc n TYR 50 Cb 0.56 -0.04 -0.04 0.00 -0.38 0.00 0.00 39.34 39.44 2jcc n TYR 50 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2jcc s VAL 51 N -2.25 0.01 0.14 -3.48 -7.23 -1.22 -4.42 120.40 101.95 2jcc s VAL 51 Ca 0.03 -0.06 -0.35 0.00 -1.81 0.00 0.00 61.98 59.80 2jcc s VAL 51 Cb 0.09 -0.99 -0.15 0.00 0.56 0.00 0.00 36.38 35.89 2jcc s VAL 51 CO 0.51 -0.03 1.52 0.00 -0.31 0.00 0.00 175.10 176.79 2jcc n ALA 52 N 0.35 0.78 -0.57 1.32 0.00 -1.26 -2.44 120.51 118.69 2jcc n ALA 52 Ca -0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2jcc n ALA 52 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 3.21 -1.71 -3.97 0.00 8.00 0.54 -4.98 116.55 117.65 2jcc n ASP 53 Ca 0.17 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 2jcc n ASP 53 Cb 0.26 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.00 0.44 0.04 -2.24 0.01 -1.02 -4.93 113.70 104.00 2jcc s SER 54 Ca 0.00 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 56.99 2jcc s SER 54 Cb 0.00 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 2jcc s SER 54 CO 0.00 -0.12 -0.10 0.28 0.41 0.00 0.00 173.24 173.70 2jcc s THR 55 N -0.80 0.80 0.07 1.44 -1.32 -1.26 -4.42 115.64 110.16 2jcc s THR 55 Ca -0.07 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.56 2jcc s THR 55 Cb -0.06 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 2jcc s THR 55 CO -0.00 -0.13 -0.21 -1.61 -2.21 0.00 0.00 174.62 170.46 2jcc s GLU 56 N -1.18 1.29 0.23 7.08 0.41 0.10 -4.99 118.70 121.64 2jcc s GLU 56 Ca -0.03 -1.05 -0.30 0.00 -0.41 0.00 0.00 54.97 53.19 2jcc s GLU 56 Cb -0.08 -1.48 -0.09 0.00 -1.78 0.00 0.00 34.13 30.70 2jcc s GLU 56 CO 0.01 0.36 1.18 0.15 -0.49 0.00 0.00 175.26 176.47 2jcc s LYS 57 N -1.50 4.52 0.00 1.61 1.02 -1.26 -1.18 119.74 122.95 2jcc s LYS 57 Ca 0.07 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.95 2jcc s LYS 57 Cb -0.09 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2jcc s LYS 57 CO 0.03 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 2jcc n GLY 58 N 1.75 1.49 0.32 -3.33 0.00 0.03 -4.82 105.19 100.63 2jcc n GLY 58 Ca 0.02 -1.92 0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 0.72 -2.10 1.61 3.32 -1.71 -3.36 116.42 114.89 2jcc h ASP 59 Ca 0.00 -0.05 -0.58 0.00 0.02 0.00 0.00 57.03 56.42 2jcc h ASP 59 Cb 0.00 -0.18 -0.40 0.00 0.22 0.00 0.00 39.33 38.97 2jcc h ASP 59 CO 0.00 0.58 -0.89 2.30 -1.72 0.00 0.00 179.24 179.51 2jcc n ILE 60 N -4.39 0.56 0.38 0.35 -5.35 -0.73 -4.96 119.36 105.23 2jcc n ILE 60 Ca 0.05 -4.50 0.12 0.00 -0.27 0.00 0.00 62.75 58.16 2jcc n ILE 60 Cb 0.09 -2.01 0.26 0.00 -1.74 0.00 0.00 39.64 36.24 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 4.13 0.00 -6.21 6.28 0.13 -1.72 -3.42 132.00 131.19 2jcc h PRO 61 Ca 0.13 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.57 2jcc h PRO 61 Cb 0.79 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.94 2jcc h PRO 61 CO 0.61 0.00 0.92 -0.25 -0.23 0.00 0.00 178.00 179.05 2jcc n ASP 62 N -2.75 2.66 0.00 1.44 8.00 -1.26 -2.32 116.55 122.32 2jcc n ASP 62 Ca 0.05 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.60 2jcc n ASP 62 Cb 0.49 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2jcc n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jcc n GLY 64 N 4.08 2.03 3.22 0.44 0.00 -1.26 -5.01 105.19 108.69 2jcc n GLY 64 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 2jcc n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jcc s TYR 65 N -2.32 1.92 0.40 1.61 2.02 -0.98 -4.24 117.35 115.75 2jcc s TYR 65 Ca 0.00 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 2jcc s TYR 65 Cb 0.00 -1.24 -0.07 0.00 -0.40 0.00 0.00 41.96 40.25 2jcc s TYR 65 CO 0.00 -0.06 0.07 0.15 -1.57 0.00 0.00 175.55 174.14 2jcc s LYS 66 N -0.43 2.07 0.03 -0.62 1.02 -0.11 -4.97 119.74 116.73 2jcc s LYS 66 Ca 0.06 -1.95 -0.00 0.00 0.02 0.00 0.00 55.97 54.10 2jcc s LYS 66 Cb -0.09 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2jcc s LYS 66 CO -0.00 -0.04 -0.03 0.00 -0.92 0.00 0.00 175.35 174.35 2jcc s ALA 67 N -2.64 0.22 -0.07 5.17 0.00 -1.26 -1.50 121.76 121.69 2jcc s ALA 67 Ca 0.37 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 2jcc s ALA 67 Cb 0.06 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2jcc s ALA 67 CO 0.20 -0.20 0.16 0.45 0.00 0.00 0.00 175.76 176.37 2jcc s SER 68 N -1.76 -0.16 -0.61 0.00 0.15 -0.65 -4.92 113.70 105.76 2jcc s SER 68 Ca -0.11 0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.92 2jcc s SER 68 Cb -0.06 0.28 0.19 0.00 -1.71 0.00 0.00 66.02 64.72 2jcc s SER 68 CO -0.03 -0.10 0.51 -1.14 1.20 0.00 0.00 173.24 173.68 2jcc n ARG 69 N 3.58 1.53 0.28 5.44 3.00 -1.26 -0.40 116.66 128.83 2jcc n ARG 69 Ca -0.19 -4.16 0.15 0.00 -0.00 0.00 0.00 57.85 53.65 2jcc n ARG 69 Cb 0.56 -2.08 0.84 0.00 0.00 0.00 0.00 32.46 31.78 2jcc n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2jcc h PRO 70 N 5.13 0.00 -3.03 -0.14 0.13 -1.97 0.16 132.00 132.27 2jcc h PRO 70 Ca 0.18 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.35 2jcc h PRO 70 Cb 0.78 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 2jcc h PRO 70 CO 0.65 0.06 0.23 -1.54 -0.23 0.00 0.00 178.00 177.17 2jcc s SER 71 N -6.00 -0.18 0.27 1.44 1.04 -1.26 -4.68 113.70 104.34 2jcc s SER 71 Ca -0.03 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2jcc s SER 71 Cb 0.13 0.76 0.55 0.00 0.10 0.00 0.00 66.02 67.56 2jcc s SER 71 CO 0.55 -1.43 1.78 -0.61 0.98 0.00 0.00 173.24 174.51 2jcc h GLN 72 N 2.01 0.71 -0.13 4.02 4.15 -1.93 -2.98 115.11 120.96 2jcc h GLN 72 Ca -0.23 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 58.95 2jcc h GLN 72 Cb 1.25 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2jcc h GLN 72 CO 0.28 0.47 -0.72 0.93 -1.93 0.00 0.00 178.83 177.86 2jcc h GLU 73 N 0.74 0.59 -5.84 1.69 3.07 -1.90 -3.47 114.58 109.46 2jcc h GLU 73 Ca 0.48 -0.47 -0.67 0.00 -0.50 0.00 0.00 59.36 58.20 2jcc h GLU 73 Cb 0.62 0.09 -0.20 0.00 -0.84 0.00 0.00 28.75 28.43 2jcc h GLU 73 CO -0.33 1.09 -0.69 -0.80 -1.40 0.00 0.00 179.01 176.88 2jcc s ASN 74 N -7.02 4.67 -0.18 1.42 -0.87 -1.13 -1.86 114.94 109.98 2jcc s ASN 74 Ca -0.08 -0.06 -0.05 0.00 -1.57 0.00 0.00 52.86 51.10 2jcc s ASN 74 Cb 0.10 -1.39 0.07 0.00 -0.02 0.00 0.00 41.25 40.01 2jcc s ASN 74 CO 0.87 0.30 0.13 0.12 -2.57 0.00 0.00 177.10 175.94 2jcc s PHE 75 N -0.41 0.04 -0.12 2.20 5.36 -1.15 -3.79 117.98 120.11 2jcc s PHE 75 Ca 0.06 -0.14 -0.09 0.00 -0.96 0.00 0.00 56.93 55.81 2jcc s PHE 75 Cb -0.12 -0.58 -0.04 0.00 -0.34 0.00 0.00 43.02 41.93 2jcc s PHE 75 CO 0.02 -0.53 0.18 -1.12 -1.46 0.00 0.00 175.22 172.31 2jcc s SER 76 N 2.20 6.41 -0.17 6.13 0.01 0.46 -2.71 113.70 126.03 2jcc s SER 76 Ca 0.04 0.49 -0.07 0.00 1.31 0.00 0.00 55.95 57.71 2jcc s SER 76 Cb -0.16 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2jcc s SER 76 CO -0.10 0.34 0.06 -0.22 0.41 0.00 0.00 173.24 173.73 2jcc s LEU 77 N -0.68 3.84 -0.13 2.44 2.96 -0.42 -1.64 118.68 125.06 2jcc s LEU 77 Ca 0.15 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 2jcc s LEU 77 Cb -0.12 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.62 2jcc s LEU 77 CO 0.04 0.20 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.52 2jcc s ILE 78 N 0.19 1.38 -0.26 6.68 1.01 -0.56 -1.13 121.20 128.51 2jcc s ILE 78 Ca 0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 2jcc s ILE 78 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 2jcc s ILE 78 CO 0.00 0.42 0.13 -0.76 0.00 0.00 0.00 174.94 174.74 2jcc s LEU 79 N 1.46 3.74 0.03 2.97 1.43 0.36 -0.93 118.68 127.75 2jcc s LEU 79 Ca 0.03 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2jcc s LEU 79 Cb -0.13 -2.03 -0.25 0.00 0.03 0.00 0.00 46.19 43.81 2jcc s LEU 79 CO -0.08 -0.04 0.97 -0.33 0.23 0.00 0.00 176.35 177.10 2jcc h GLU 80 N 8.29 0.14 -2.17 1.70 4.39 -1.83 -0.28 114.58 124.82 2jcc h GLU 80 Ca -0.37 -0.23 -0.48 0.00 0.34 0.00 0.00 59.36 58.62 2jcc h GLU 80 Cb 1.18 0.09 -0.34 0.00 -0.10 0.00 0.00 28.75 29.58 2jcc h GLU 80 CO 0.56 0.98 -0.81 -0.51 -1.16 0.00 0.00 179.01 178.08 2jcc s LEU 81 N -6.76 0.58 0.42 1.33 1.43 -1.25 -4.07 118.68 110.35 2jcc s LEU 81 Ca -0.05 -2.26 -0.26 0.00 -1.03 0.00 0.00 54.13 50.53 2jcc s LEU 81 Cb 0.08 0.09 -0.09 0.00 0.03 0.00 0.00 46.19 46.30 2jcc s LEU 81 CO 0.84 -0.22 1.46 0.00 0.23 0.00 0.00 176.35 178.66 2jcc s ALA 82 N 0.83 3.38 0.14 4.21 0.00 -0.90 -4.58 121.76 124.83 2jcc s ALA 82 Ca 0.24 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.75 2jcc s ALA 82 Cb -0.10 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 2jcc s ALA 82 CO -0.07 -1.16 -0.05 -1.54 0.00 0.00 0.00 175.76 172.94 2jcc s SER 83 N -0.34 1.30 0.55 0.00 1.04 -1.26 -0.77 113.70 114.21 2jcc s SER 83 Ca 0.58 -1.07 0.22 0.00 0.48 0.00 0.00 55.95 56.17 2jcc s SER 83 Cb -0.45 0.08 1.52 0.00 0.10 0.00 0.00 66.02 67.26 2jcc s SER 83 CO 0.60 -0.48 2.19 -0.07 0.98 0.00 0.00 173.24 176.46 2jcc h LEU 84 N 2.83 0.00 -1.72 2.42 3.38 -1.96 -0.01 115.31 120.25 2jcc h LEU 84 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jcc h LEU 84 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2jcc h LEU 84 CO 0.64 0.01 0.00 0.77 0.09 0.00 0.00 178.44 179.95 2jcc h SER 85 N 0.00 0.00 0.02 -0.43 4.64 -1.96 -2.91 113.55 112.91 2jcc h SER 85 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jcc h SER 85 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2jcc h SER 85 CO 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.79 2jcc n GLN 86 N -2.66 1.62 -1.62 4.77 6.02 -0.02 -4.86 117.38 120.64 2jcc n GLN 86 Ca -0.01 -1.22 -0.43 0.00 -0.01 0.00 0.00 57.00 55.33 2jcc n GLN 86 Cb 0.14 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 2jcc n GLN 86 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2jcc n THR 87 N 0.38 0.50 -3.83 5.09 -1.04 -1.10 -4.91 114.28 109.36 2jcc n THR 87 Ca 0.13 -0.34 -0.02 0.00 -2.04 0.00 0.00 64.05 61.78 2jcc n THR 87 Cb 0.47 -2.46 0.01 0.00 -1.82 0.00 0.00 70.33 66.52 2jcc n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jcc s ALA 88 N 6.89 -1.75 -0.16 2.41 0.00 -0.97 -5.00 121.76 123.18 2jcc s ALA 88 Ca 0.97 -0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 2jcc s ALA 88 Cb -0.38 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 2jcc s ALA 88 CO 0.38 -1.07 0.77 0.08 0.00 0.00 0.00 175.76 175.92 2jcc s VAL 89 N -2.45 4.93 -0.14 0.00 1.01 -1.19 -1.23 120.40 121.34 2jcc s VAL 89 Ca 0.19 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.64 2jcc s VAL 89 Cb -0.01 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2jcc s VAL 89 CO 0.03 0.07 -0.00 -0.31 0.00 0.00 0.00 175.10 174.89 2jcc s TYR 90 N 1.92 3.12 -0.06 5.22 1.51 0.37 0.23 117.35 129.67 2jcc s TYR 90 Ca 0.36 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.42 2jcc s TYR 90 Cb -0.17 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 2jcc s TYR 90 CO 0.13 0.18 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.49 2jcc s PHE 91 N -0.05 2.56 -0.03 2.71 0.40 -0.41 -0.69 117.98 122.46 2jcc s PHE 91 Ca 0.03 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 2jcc s PHE 91 Cb -0.13 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2jcc s PHE 91 CO 0.02 -0.04 -0.03 0.00 0.70 0.00 0.00 175.22 175.87 2jcc s ALA 93 N -0.97 0.34 0.04 0.00 0.00 0.71 0.12 121.76 122.01 2jcc s ALA 93 Ca 0.16 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2jcc s ALA 93 Cb -0.11 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2jcc s ALA 93 CO 0.06 -0.49 0.10 -1.54 0.00 0.00 0.00 175.76 173.89 2jcc s SER 94 N -2.95 0.19 0.15 0.00 1.04 -0.26 -0.43 113.70 111.44 2jcc s SER 94 Ca 0.14 -0.58 -0.20 0.00 0.48 0.00 0.00 55.95 55.79 2jcc s SER 94 Cb 0.06 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2jcc s SER 94 CO -0.05 -0.54 0.52 -0.94 0.98 0.00 0.00 173.24 173.21 2jcc s SER 95 N -2.26 -0.40 0.00 7.02 1.04 -0.30 -0.20 113.70 118.60 2jcc s SER 95 Ca -0.03 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2jcc s SER 95 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2jcc s SER 95 CO -0.06 -0.95 0.00 -0.90 0.98 0.00 0.00 173.24 172.32 2jcc n ASP 96 N -0.32 0.00 -0.01 7.02 5.68 -1.26 -2.35 116.55 125.31 2jcc n ASP 96 Ca -0.15 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.18 2jcc n ASP 96 Cb 0.64 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.05 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 0.00 0.52 -0.29 2.11 5.08 -1.98 -3.23 115.95 118.17 2jcc h TRP 97 Ca 0.00 0.01 -0.44 0.00 1.08 0.00 0.00 58.89 59.54 2jcc h TRP 97 Cb 0.00 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 25.98 2jcc h TRP 97 CO 0.00 0.32 1.47 0.28 -1.28 0.00 0.00 178.44 179.23 2jcc n VAL 98 N -4.47 1.78 1.40 0.12 0.31 -1.26 -4.75 118.33 111.46 2jcc n VAL 98 Ca 0.04 -1.76 0.14 0.00 -0.01 0.00 0.00 64.34 62.75 2jcc n VAL 98 Cb 0.08 -2.21 0.62 0.00 -0.91 0.00 0.00 33.84 31.43 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 12.04 0.42 0.01 4.52 3.41 -1.22 -2.59 113.62 130.21 2jcc n SER 99 Ca 0.46 -0.53 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 2jcc n SER 99 Cb 0.44 -0.09 0.41 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.99 0.08 -3.37 7.33 0.18 -1.26 -4.42 117.16 114.70 2jcc n TYR 100 Ca 0.14 0.02 -0.46 0.00 1.88 0.00 0.00 57.90 59.49 2jcc n TYR 100 Cb 0.27 -0.42 -0.03 0.00 -0.38 0.00 0.00 39.34 38.79 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 -3.02 3.47 -0.14 -3.48 2.12 -1.07 -5.06 118.70 111.53 2jcc s GLU 105 Ca 0.12 -2.44 -0.06 0.00 0.36 0.00 0.00 54.97 52.95 2jcc s GLU 105 Cb 0.18 -4.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 2jcc s GLU 105 CO 0.62 -1.28 0.09 -0.65 -0.54 0.00 0.00 175.26 173.51 2jcc s GLN 106 N 0.20 3.54 -0.25 4.30 -0.21 -1.26 -4.64 119.66 121.34 2jcc s GLN 106 Ca 0.17 -0.25 -0.10 0.00 0.02 0.00 0.00 55.36 55.21 2jcc s GLN 106 Cb -0.12 -3.14 -0.05 0.00 1.00 0.00 0.00 33.01 30.71 2jcc s GLN 106 CO -0.08 0.60 0.14 0.71 -2.12 0.00 0.00 175.29 174.55 2jcc s TYR 107 N -0.54 3.23 0.06 0.91 1.51 0.72 -4.90 117.35 118.35 2jcc s TYR 107 Ca 0.11 0.06 -0.08 0.00 -1.01 0.00 0.00 57.07 56.15 2jcc s TYR 107 Cb -0.12 -2.28 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 2jcc s TYR 107 CO 0.02 -0.08 0.35 -0.06 -1.11 0.00 0.00 175.55 174.67 2jcc s PHE 108 N 1.32 3.57 0.98 2.71 0.40 -1.26 -1.11 117.98 124.59 2jcc s PHE 108 Ca 0.07 0.68 -0.14 0.00 -0.60 0.00 0.00 56.93 56.93 2jcc s PHE 108 Cb -0.15 -2.08 0.18 0.00 0.51 0.00 0.00 43.02 41.49 2jcc s PHE 108 CO 0.06 0.54 1.16 0.20 0.70 0.00 0.00 175.22 177.88 2jcc s GLY 109 N -1.84 1.61 0.45 4.36 0.00 0.33 -4.56 107.32 107.67 2jcc s GLY 109 Ca 0.32 -0.72 0.22 0.00 0.00 0.00 0.00 44.72 44.55 2jcc s GLY 109 CO 0.18 -0.05 1.92 -0.56 0.00 0.00 0.00 173.10 174.59 2jcc h PRO 110 N -1.76 0.00 0.00 2.90 0.13 -1.87 -3.44 132.00 127.95 2jcc h PRO 110 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jcc h PRO 110 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jcc h PRO 110 CO 0.52 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 2jcc n GLY 111 N -0.33 2.48 2.81 1.56 0.00 -1.26 -5.07 105.19 105.38 2jcc n GLY 111 Ca -0.01 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.85 0.39 -0.34 2.61 2.01 0.13 -4.72 115.64 112.86 2jcc s THR 112 Ca 0.00 0.05 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 2jcc s THR 112 Cb 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.01 2jcc s THR 112 CO 0.00 0.23 0.74 -0.13 -0.69 0.00 0.00 174.62 174.77 2jcc s ARG 113 N 1.55 3.80 -0.10 4.92 0.52 -0.96 -0.48 118.95 128.21 2jcc s ARG 113 Ca -0.01 0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 55.51 2jcc s ARG 113 Cb -0.13 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 2jcc s ARG 113 CO -0.03 -0.76 -0.06 -1.17 0.02 0.00 0.00 175.30 173.29 2jcc s LEU 114 N 2.94 3.18 -0.04 2.53 2.96 -0.36 -1.60 118.68 128.29 2jcc s LEU 114 Ca 0.30 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2jcc s LEU 114 Cb -0.14 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 2jcc s LEU 114 CO 0.15 0.30 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.42 2jcc s THR 115 N -0.44 1.45 -0.06 3.68 2.01 -0.84 -2.29 115.64 119.15 2jcc s THR 115 Ca 0.07 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2jcc s THR 115 Cb -0.12 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 2jcc s THR 115 CO 0.02 0.42 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.52 2jcc s VAL 116 N 0.04 2.85 0.06 3.82 1.01 -1.26 -1.07 120.40 125.85 2jcc s VAL 116 Ca -0.04 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2jcc s VAL 116 Cb -0.12 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2jcc s VAL 116 CO 0.02 0.58 -0.10 -0.76 0.00 0.00 0.00 175.10 174.83 2jcc s LEU 116 N -0.45 2.29 0.37 3.92 1.43 0.48 -4.80 118.68 121.92 2jcc s LEU 116 Ca 0.05 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 2jcc s LEU 116 Cb -0.12 -0.30 0.71 0.00 0.03 0.00 0.00 46.19 46.50 2jcc s LEU 116 CO 0.02 -0.17 1.88 -0.08 0.23 0.00 0.00 176.35 178.23 2jcc h GLU 117 N 4.27 0.30 -2.82 1.70 4.81 -1.96 -0.79 114.58 120.08 2jcc h GLU 117 Ca -0.38 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 58.66 2jcc h GLU 117 Cb 1.20 -0.04 -0.22 0.00 0.63 0.00 0.00 28.75 30.32 2jcc h GLU 117 CO 0.43 0.44 -0.23 0.34 -0.73 0.00 0.00 179.01 179.26 2jcc s ASP 118 N -6.85 -0.34 0.38 1.04 -1.08 -1.26 -4.69 116.67 103.87 2jcc s ASP 118 Ca -0.06 0.50 0.27 0.00 -0.52 0.00 0.00 52.55 52.74 2jcc s ASP 118 Cb 0.15 0.59 0.84 0.00 -1.46 0.00 0.00 42.92 43.04 2jcc s ASP 118 CO 0.74 -0.30 1.77 -0.07 0.52 0.00 0.00 175.17 177.83 2jcc h LEU 119 N 4.64 0.00 -1.33 -1.34 3.38 -1.95 -3.36 115.31 115.35 2jcc h LEU 119 Ca -0.28 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.88 2jcc h LEU 119 Cb 1.18 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 2jcc h LEU 119 CO 0.32 0.00 0.60 0.08 0.09 0.00 0.00 178.44 179.54 2jcc h ARG 120 N 0.00 0.54 0.00 1.13 0.11 -1.99 -1.75 114.38 112.43 2jcc h ARG 120 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2jcc h ARG 120 Cb 0.69 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2jcc h ARG 120 CO 0.00 0.36 0.00 0.09 0.10 0.00 0.00 179.97 180.52 2jcc n ASN 121 N -4.59 0.62 -4.67 0.08 3.02 -1.26 -4.79 115.26 103.66 2jcc n ASN 121 Ca 0.20 0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 54.92 2jcc n ASN 121 Cb 0.64 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 -3.15 3.39 -0.13 2.41 1.01 -0.66 -4.57 120.40 118.71 2jcc s VAL 122 Ca 0.09 0.63 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 2jcc s VAL 122 Cb 0.12 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 33.14 2jcc s VAL 122 CO 0.50 -0.03 0.32 0.28 0.00 0.00 0.00 175.10 176.17 2jcc s THR 123 N 3.47 -0.03 0.80 3.92 -1.32 -1.21 -4.71 115.64 116.57 2jcc s THR 123 Ca 0.74 0.10 -0.12 0.00 -1.21 0.00 0.00 61.69 61.20 2jcc s THR 123 Cb -0.36 -0.47 0.08 0.00 -1.51 0.00 0.00 72.50 70.24 2jcc s THR 123 CO 0.31 0.04 1.13 -2.84 -2.21 0.00 0.00 174.62 171.05 2jcc s PRO 124 N 1.10 1.90 0.66 7.08 0.02 -1.26 -1.80 135.00 142.71 2jcc s PRO 124 Ca -0.08 1.41 -0.14 0.00 0.02 0.00 0.00 61.00 62.21 2jcc s PRO 124 Cb -0.08 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2jcc s PRO 124 CO -0.08 -1.95 1.08 -1.25 -0.33 0.00 0.00 177.00 174.47 2jcc s PRO 125 N -4.57 2.88 -0.28 5.54 0.04 -1.26 -4.36 135.00 132.98 2jcc s PRO 125 Ca 0.66 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 2jcc s PRO 125 Cb -0.21 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2jcc s PRO 125 CO 0.53 -1.16 0.15 0.15 0.04 0.00 0.00 177.00 176.71 2jcc s LYS 126 N -4.38 3.67 -0.25 4.56 -0.14 0.13 -4.95 119.74 118.38 2jcc s LYS 126 Ca 0.63 -0.49 -0.10 0.00 -1.36 0.00 0.00 55.97 54.65 2jcc s LYS 126 Cb -0.17 -3.55 -0.05 0.00 -1.68 0.00 0.00 37.83 32.38 2jcc s LYS 126 CO 0.45 -0.26 0.16 0.08 -0.76 0.00 0.00 175.35 175.01 2jcc s VAL 127 N 1.68 5.22 -0.10 3.17 1.01 -1.26 -1.98 120.40 128.12 2jcc s VAL 127 Ca 0.06 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2jcc s VAL 127 Cb -0.16 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2jcc s VAL 127 CO 0.08 0.32 -0.19 -0.44 0.00 0.00 0.00 175.10 174.86 2jcc s SER 128 N 1.32 3.53 -0.21 3.32 0.01 -0.09 -4.57 113.70 117.01 2jcc s SER 128 Ca 0.07 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 56.81 2jcc s SER 128 Cb -0.14 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 2jcc s SER 128 CO 0.06 0.19 0.10 -0.22 0.41 0.00 0.00 173.24 173.79 2jcc s LEU 129 N 0.20 3.93 -0.16 2.44 2.96 -1.26 -0.92 118.68 125.86 2jcc s LEU 129 Ca -0.12 0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2jcc s LEU 129 Cb -0.16 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 2jcc s LEU 129 CO 0.06 0.12 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.81 2jcc s PHE 130 N 0.74 3.00 0.22 5.38 0.40 -0.10 -5.03 117.98 122.59 2jcc s PHE 130 Ca 0.05 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 2jcc s PHE 130 Cb -0.13 -1.98 -0.08 0.00 0.51 0.00 0.00 43.02 41.35 2jcc s PHE 130 CO 0.02 -0.11 0.62 -1.21 0.70 0.00 0.00 175.22 175.24 2jcc s GLU 131 N 0.53 3.99 0.84 0.44 2.02 -1.26 -2.36 118.70 122.90 2jcc s GLU 131 Ca -0.03 0.54 -0.13 0.00 0.02 0.00 0.00 54.97 55.37 2jcc s GLU 131 Cb -0.14 -2.73 0.07 0.00 0.10 0.00 0.00 34.13 31.43 2jcc s GLU 131 CO 0.03 0.34 0.95 -2.30 0.02 0.00 0.00 175.26 174.31 2jcc n PRO 132 N 0.26 0.01 -2.66 0.39 -0.02 -1.26 -4.95 135.00 126.77 2jcc n PRO 132 Ca -0.01 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 2jcc n PRO 132 Cb 0.52 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 2jcc n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jcc s SER 133 N -2.09 7.43 0.32 2.55 0.15 -1.26 -4.95 113.70 115.85 2jcc s SER 133 Ca 0.68 1.91 0.01 0.00 0.70 0.00 0.00 55.95 59.26 2jcc s SER 133 Cb -0.28 -2.60 0.55 0.00 -1.71 0.00 0.00 66.02 61.99 2jcc s SER 133 CO 0.56 -0.10 1.95 0.11 1.20 0.00 0.00 173.24 176.96 2jcc h LYS 134 N 5.26 0.96 -0.75 5.44 1.57 -1.98 -1.90 116.57 125.18 2jcc h LYS 134 Ca -0.44 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 2jcc h LYS 134 Cb 1.21 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2jcc h LYS 134 CO 0.72 0.64 0.29 0.00 -0.57 0.00 0.00 179.45 180.52 2jcc h ALA 135 N 1.53 0.97 -0.64 3.86 0.00 -1.99 0.78 119.26 123.77 2jcc h ALA 135 Ca 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jcc h ALA 135 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2jcc h ALA 135 CO -0.10 0.60 0.26 1.49 0.00 0.00 0.00 179.25 181.50 2jcc h GLU 136 N 1.08 0.96 -0.20 0.00 4.81 -1.80 -1.76 114.58 117.66 2jcc h GLU 136 Ca 0.25 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2jcc h GLU 136 Cb 0.23 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2jcc h GLU 136 CO -0.02 0.80 0.09 0.82 -0.73 0.00 0.00 179.01 179.97 2jcc h ILE 137 N 0.90 1.14 -0.23 2.32 1.08 -1.02 -2.86 117.51 118.84 2jcc h ILE 137 Ca 0.21 -0.43 -0.09 0.00 -0.39 0.00 0.00 64.86 64.17 2jcc h ILE 137 Cb 0.20 1.07 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 2jcc h ILE 137 CO -0.02 0.14 -0.22 0.00 -0.69 0.00 0.00 178.15 177.36 2jcc h ALA 138 N 0.94 0.34 0.00 1.87 0.00 -0.81 -2.37 119.26 119.24 2jcc h ALA 138 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jcc h ALA 138 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jcc h ALA 138 CO -0.01 0.29 -0.28 0.09 0.00 0.00 0.00 179.25 179.34 2jcc n ASN 139 N -4.39 0.40 0.00 0.00 3.02 -0.67 -4.34 115.26 109.28 2jcc n ASN 139 Ca -0.05 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2jcc n ASN 139 Cb 0.42 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.70 0.00 -3.78 3.52 5.02 -1.08 -5.05 118.16 115.08 2jcc n LYS 140 Ca 0.06 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.12 2jcc n LYS 140 Cb 0.37 -0.11 0.02 0.00 -0.02 0.00 0.00 35.03 35.29 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 0.00 -4.55 -3.87 1.97 3.00 -0.89 -4.95 117.38 108.09 2jcc n GLN 141 Ca 0.00 0.56 -0.09 0.00 -0.01 0.00 0.00 57.00 57.46 2jcc n GLN 141 Cb 0.07 -5.04 -0.07 0.00 0.00 0.00 0.00 30.24 25.20 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 -6.18 1.02 -0.05 -1.09 1.02 -1.25 -1.84 119.74 111.38 2jcc s LYS 142 Ca 0.06 -1.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.03 2jcc s LYS 142 Cb -0.03 0.38 0.03 0.00 -0.52 0.00 0.00 37.83 37.69 2jcc s LYS 142 CO 0.83 -0.36 0.01 0.00 -0.92 0.00 0.00 175.35 174.91 2jcc s ALA 143 N -3.90 0.46 -0.47 5.17 0.00 0.24 -3.13 121.76 120.13 2jcc s ALA 143 Ca 0.10 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 2jcc s ALA 143 Cb 0.04 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.75 2jcc s ALA 143 CO -0.06 -0.26 0.36 0.99 0.00 0.00 0.00 175.76 176.79 2jcc s THR 144 N 1.49 4.56 0.08 0.00 2.01 -1.26 -1.56 115.64 120.97 2jcc s THR 144 Ca -0.03 -1.51 -0.30 0.00 0.31 0.00 0.00 61.69 60.16 2jcc s THR 144 Cb -0.13 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 2jcc s THR 144 CO -0.03 -0.68 1.18 -0.76 -0.69 0.00 0.00 174.62 173.64 2jcc s LEU 145 N 1.47 4.39 -0.10 4.42 1.02 0.13 -4.24 118.68 125.77 2jcc s LEU 145 Ca 0.04 2.03 0.02 0.00 0.02 0.00 0.00 54.13 56.24 2jcc s LEU 145 Cb -0.26 -3.58 -0.02 0.00 0.02 0.00 0.00 46.19 42.35 2jcc s LEU 145 CO 0.02 -0.43 -0.14 -0.69 0.02 0.00 0.00 176.35 175.13 2jcc s VAL 146 N 0.84 3.00 -0.10 -1.59 1.01 -0.99 0.39 120.40 122.94 2jcc s VAL 146 Ca 0.57 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2jcc s VAL 146 Cb -0.29 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2jcc s VAL 146 CO 0.30 0.55 -0.03 0.00 0.00 0.00 0.00 175.10 175.93 2jcc s LEU 148 N -0.46 1.07 -0.24 0.00 2.96 -0.10 -2.06 118.68 119.85 2jcc s LEU 148 Ca 0.08 -0.80 -0.12 0.00 -0.22 0.00 0.00 54.13 53.07 2jcc s LEU 148 Cb -0.12 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 2jcc s LEU 148 CO 0.02 -0.31 0.21 0.00 -1.32 0.00 0.00 176.35 174.95 2jcc s ALA 149 N 1.90 3.59 0.33 5.97 0.00 -0.46 -0.91 121.76 132.17 2jcc s ALA 149 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2jcc s ALA 149 Cb -0.17 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 2jcc s ALA 149 CO -0.08 -0.31 0.08 1.03 0.00 0.00 0.00 175.76 176.48 2jcc s ARG 150 N 1.29 1.67 -0.91 0.00 0.52 -0.84 -1.12 118.95 119.57 2jcc s ARG 150 Ca 0.09 -1.95 0.00 0.00 -0.52 0.00 0.00 55.73 53.35 2jcc s ARG 150 Cb -0.14 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.62 2jcc s ARG 150 CO 0.07 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.52 2jcc n GLY 151 N -0.70 0.96 3.88 -3.53 0.00 -1.08 -0.69 105.19 104.04 2jcc n GLY 151 Ca -0.03 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.08 3.55 0.14 1.61 -0.12 -1.20 -4.61 117.98 115.27 2jcc s PHE 152 Ca 0.00 0.45 0.09 0.00 -0.05 0.00 0.00 56.93 57.42 2jcc s PHE 152 Cb 0.00 -1.89 -0.04 0.00 -0.63 0.00 0.00 43.02 40.46 2jcc s PHE 152 CO 0.00 0.69 -0.20 0.12 -0.05 0.00 0.00 175.22 175.78 2jcc s PHE 153 N -1.12 1.87 0.00 3.49 5.36 -0.75 0.61 117.98 127.44 2jcc s PHE 153 Ca 0.19 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2jcc s PHE 153 Cb -0.12 -0.98 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 2jcc s PHE 153 CO 0.09 0.29 0.00 -2.30 -1.46 0.00 0.00 175.22 171.84 2jcc n PRO 154 N 0.67 0.00 -1.24 10.12 -0.02 -1.26 -3.29 135.00 139.98 2jcc n PRO 154 Ca -0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 2jcc n PRO 154 Cb 0.55 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.09 2jcc n PRO 154 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2jcc n ASP 155 N 0.00 7.33 -4.46 2.55 5.75 -1.26 -4.81 116.55 121.64 2jcc n ASP 155 Ca 0.00 -3.57 -0.44 0.00 -0.01 0.00 0.00 54.79 50.77 2jcc n ASP 155 Cb 0.00 -1.01 -0.01 0.00 -1.03 0.00 0.00 41.12 39.07 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 -3.22 3.37 0.00 2.11 3.76 -1.26 -4.94 115.29 115.11 2jcc s HIS 156 Ca 0.55 -1.88 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 2jcc s HIS 156 Cb 0.43 -4.30 -0.00 0.00 1.11 0.00 0.00 32.58 29.81 2jcc s HIS 156 CO -0.04 -1.43 -0.02 0.14 -0.85 0.00 0.00 174.74 172.55 2jcc s VAL 157 N 1.96 0.14 -0.05 -0.90 -7.23 -1.26 -0.81 120.40 112.26 2jcc s VAL 157 Ca 0.39 -0.24 0.06 0.00 -1.81 0.00 0.00 61.98 60.39 2jcc s VAL 157 Cb -0.03 -0.15 -0.02 0.00 0.56 0.00 0.00 36.38 36.73 2jcc s VAL 157 CO -0.03 -0.06 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.86 2jcc s GLU 158 N -0.32 2.42 -0.21 4.82 2.02 -0.14 -4.95 118.70 122.33 2jcc s GLU 158 Ca -0.02 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 2jcc s GLU 158 Cb -0.02 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 32.05 2jcc s GLU 158 CO -0.00 0.49 -0.13 -1.17 0.02 0.00 0.00 175.26 174.47 2jcc s LEU 159 N -0.42 2.70 0.33 1.80 0.20 -1.26 0.19 118.68 122.23 2jcc s LEU 159 Ca 0.04 -0.77 0.09 0.00 0.69 0.00 0.00 54.13 54.18 2jcc s LEU 159 Cb -0.12 -1.57 -0.05 0.00 -0.43 0.00 0.00 46.19 44.02 2jcc s LEU 159 CO 0.01 -0.06 0.05 -0.94 -0.29 0.00 0.00 176.35 175.12 2jcc s SER 160 N 1.30 4.34 0.07 3.68 1.04 -0.11 -5.01 113.70 119.02 2jcc s SER 160 Ca 0.02 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 55.61 2jcc s SER 160 Cb -0.15 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.32 2jcc s SER 160 CO -0.08 -0.23 -0.12 0.26 0.98 0.00 0.00 173.24 174.04 2jcc s TRP 161 N -2.48 2.69 -0.09 5.02 0.52 -1.26 -1.23 118.94 122.12 2jcc s TRP 161 Ca 0.35 -0.17 -0.02 0.00 0.02 0.00 0.00 56.10 56.28 2jcc s TRP 161 Cb -0.01 -1.46 0.04 0.00 -1.15 0.00 0.00 33.47 30.88 2jcc s TRP 161 CO 0.20 0.37 0.03 -1.58 0.02 0.00 0.00 176.95 175.99 2jcc s TRP 162 N -1.09 0.54 -0.17 -1.98 0.52 -0.08 -1.98 118.94 114.70 2jcc s TRP 162 Ca 0.18 -0.19 0.00 0.00 0.02 0.00 0.00 56.10 56.12 2jcc s TRP 162 Cb -0.11 -0.75 0.01 0.00 -1.15 0.00 0.00 33.47 31.46 2jcc s TRP 162 CO 0.10 -0.36 -0.17 0.08 0.02 0.00 0.00 176.95 176.63 2jcc s VAL 163 N 2.02 2.45 -1.68 4.03 1.01 -0.80 -1.29 120.40 126.14 2jcc s VAL 163 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2jcc s VAL 163 Cb -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2jcc s VAL 163 CO -0.06 0.52 0.20 0.59 0.00 0.00 0.00 175.10 176.35 2jcc n ASN 164 N 4.33 -5.88 0.00 3.32 3.02 0.71 -2.92 115.26 117.84 2jcc n ASN 164 Ca -0.20 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2jcc n ASN 164 Cb 0.51 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 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 -1.17 1.60 3.51 7.41 0.00 -1.26 -5.03 105.19 110.25 2jcc n GLY 165 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2jcc n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jcc s LYS 166 N -0.39 2.46 0.23 1.61 -2.85 -1.15 -5.08 119.74 114.58 2jcc s LYS 166 Ca 0.00 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 2jcc s LYS 166 Cb 0.00 -2.39 -0.09 0.00 -2.06 0.00 0.00 37.83 33.29 2jcc s LYS 166 CO 0.00 0.61 1.10 -2.00 0.10 0.00 0.00 175.35 175.16 2jcc s GLU 167 N -1.01 4.63 0.08 1.78 2.12 -1.26 -1.90 118.70 123.12 2jcc s GLU 167 Ca 0.13 1.76 0.07 0.00 0.36 0.00 0.00 54.97 57.29 2jcc s GLU 167 Cb -0.11 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 2jcc s GLU 167 CO 0.03 0.16 -0.17 0.14 -0.54 0.00 0.00 175.26 174.87 2jcc s VAL 168 N -0.75 1.41 -0.04 3.70 -7.23 -0.84 -4.95 120.40 111.70 2jcc s VAL 168 Ca 0.47 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 2jcc s VAL 168 Cb -0.31 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2jcc s VAL 168 CO 0.38 -0.08 -0.03 1.41 -0.31 0.00 0.00 175.10 176.48 2jcc n HIS 169 N 1.36 0.00 -2.20 2.82 -0.00 -1.26 -4.37 115.22 111.58 2jcc n HIS 169 Ca -0.20 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.12 2jcc n HIS 169 Cb 0.54 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.99 30.35 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 -4.18 6.88 -0.43 0.41 0.15 -1.26 -3.31 113.70 111.96 2jcc s SER 170 Ca -0.05 2.56 -0.00 0.00 0.70 0.00 0.00 55.95 59.16 2jcc s SER 170 Cb 0.01 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2jcc s SER 170 CO 0.10 -0.47 0.03 0.61 1.20 0.00 0.00 173.24 174.72 2jcc n GLY 171 N 1.19 0.20 3.05 9.45 0.00 -1.26 -4.94 105.19 112.88 2jcc n GLY 171 Ca 0.01 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.35 0.90 -0.29 1.61 1.01 -1.21 -2.27 120.40 117.79 2jcc s VAL 172 Ca 0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2jcc s VAL 172 Cb -0.01 -0.77 0.14 0.00 0.00 0.00 0.00 36.38 35.74 2jcc s VAL 172 CO 0.02 0.26 0.29 -0.55 0.00 0.00 0.00 175.10 175.12 2jcc s SER 173 N -0.09 1.74 0.45 3.32 0.15 -1.15 -4.98 113.70 113.14 2jcc s SER 173 Ca 0.01 -0.83 -0.10 0.00 0.70 0.00 0.00 55.95 55.72 2jcc s SER 173 Cb -0.06 0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 64.66 2jcc s SER 173 CO 0.00 -0.38 0.83 0.42 1.20 0.00 0.00 173.24 175.30 2jcc s THR 174 N 2.29 4.76 0.25 6.45 -4.23 -1.26 -2.23 115.64 121.68 2jcc s THR 174 Ca 0.10 0.66 -0.30 0.00 -1.18 0.00 0.00 61.69 60.97 2jcc s THR 174 Cb -0.14 -3.77 -0.10 0.00 1.34 0.00 0.00 72.50 69.84 2jcc s THR 174 CO -0.31 -0.66 1.35 -1.81 -0.54 0.00 0.00 174.62 172.65 2jcc s ASP 175 N -3.40 6.79 0.19 3.99 1.01 -0.37 -4.94 116.67 119.94 2jcc s ASP 175 Ca 0.52 2.56 -0.09 0.00 0.71 0.00 0.00 52.55 56.25 2jcc s ASP 175 Cb -0.10 -2.62 0.09 0.00 1.01 0.00 0.00 42.92 41.29 2jcc s ASP 175 CO 0.36 -0.58 1.68 1.55 0.21 0.00 0.00 175.17 178.39 2jcc h PRO 176 N 4.74 1.08 -6.05 8.23 0.13 -1.97 -3.44 132.00 134.72 2jcc h PRO 176 Ca -0.46 -0.29 -0.58 0.00 -0.87 0.00 0.00 66.00 63.80 2jcc h PRO 176 Cb 1.22 -0.13 -0.26 0.00 0.13 0.00 0.00 31.00 31.96 2jcc h PRO 176 CO 0.74 1.00 -0.84 1.14 -0.23 0.00 0.00 178.00 179.81 2jcc s GLN 177 N -5.20 1.40 0.54 0.86 -2.07 -1.26 -5.13 119.66 108.80 2jcc s GLN 177 Ca -0.12 -0.92 -0.21 0.00 -1.82 0.00 0.00 55.36 52.30 2jcc s GLN 177 Cb 0.14 -1.50 -0.05 0.00 -1.09 0.00 0.00 33.01 30.51 2jcc s GLN 177 CO 0.85 0.38 1.22 0.00 -1.32 0.00 0.00 175.29 176.42 2jcc s ALA 178 N -0.77 2.74 -0.07 2.60 0.00 -1.26 -4.97 121.76 120.02 2jcc s ALA 178 Ca 0.07 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.98 2jcc s ALA 178 Cb -0.09 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2jcc s ALA 178 CO 0.02 -1.03 0.24 0.71 0.00 0.00 0.00 175.76 175.69 2jcc s TYR 179 N -1.53 3.64 -0.28 0.00 2.02 0.16 -4.88 117.35 116.48 2jcc s TYR 179 Ca 0.72 0.69 -0.20 0.00 -0.37 0.00 0.00 57.07 57.91 2jcc s TYR 179 Cb -0.32 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.17 2jcc s TYR 179 CO 0.36 0.70 0.62 0.21 -1.57 0.00 0.00 175.55 175.87 2jcc s LYS 180 N -1.08 3.98 -0.11 -0.62 2.20 -1.26 0.27 119.74 123.12 2jcc s LYS 180 Ca 0.19 0.38 0.19 0.00 -0.36 0.00 0.00 55.97 56.37 2jcc s LYS 180 Cb -0.14 -3.70 -0.27 0.00 -1.51 0.00 0.00 37.83 32.21 2jcc s LYS 180 CO 0.08 -0.50 0.30 -0.85 -0.36 0.00 0.00 175.35 174.01 2jcc n GLU 181 N 5.79 0.67 -3.98 4.03 0.28 0.55 -4.98 120.64 123.01 2jcc n GLU 181 Ca -0.01 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.16 56.83 2jcc n GLU 181 Cb 0.49 -1.55 -0.07 0.00 1.43 0.00 0.00 31.44 31.74 2jcc n GLU 181 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2jcc s SER 182 N -5.15 0.03 0.52 -1.84 0.01 -1.04 -4.96 113.70 101.27 2jcc s SER 182 Ca -0.09 -0.91 0.32 0.00 1.31 0.00 0.00 55.95 56.59 2jcc s SER 182 Cb 0.09 0.45 1.46 0.00 0.21 0.00 0.00 66.02 68.24 2jcc s SER 182 CO 0.86 -0.92 1.84 -1.13 0.41 0.00 0.00 173.24 174.29 2jcc h ASN 186 N 2.51 0.06 -0.05 2.44 -0.73 -2.03 -2.10 115.58 115.68 2jcc h ASN 186 Ca -0.31 0.01 -0.05 0.00 1.87 0.00 0.00 56.30 57.82 2jcc h ASN 186 Cb 1.23 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.76 2jcc h ASN 186 CO 0.47 0.01 -0.56 -1.22 -0.37 0.00 0.00 177.43 175.76 2jcc n TYR 187 N -4.27 0.18 -3.70 0.67 4.01 -1.26 -5.02 117.16 107.77 2jcc n TYR 187 Ca 0.23 -1.47 -0.15 0.00 -0.16 0.00 0.00 57.90 56.34 2jcc n TYR 187 Cb 1.08 -0.25 -0.15 0.00 -0.31 0.00 0.00 39.34 39.71 2jcc n TYR 187 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2jcc s SER 189 N -3.17 0.40 0.30 7.72 0.01 -0.79 -4.36 113.70 113.81 2jcc s SER 189 Ca 0.38 0.34 0.08 0.00 1.31 0.00 0.00 55.95 58.06 2jcc s SER 189 Cb 0.37 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 2jcc s SER 189 CO -0.07 -0.21 0.17 -0.31 0.41 0.00 0.00 173.24 173.23 2jcc s TYR 190 N 1.88 2.90 0.01 2.43 2.02 0.20 -0.33 117.35 126.46 2jcc s TYR 190 Ca -0.02 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 2jcc s TYR 190 Cb -0.12 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2jcc s TYR 190 CO -0.06 0.41 -0.04 0.00 -1.57 0.00 0.00 175.55 174.30 2jcc s ALA 191 N -2.28 0.25 -0.02 3.71 0.00 0.14 -2.62 121.76 120.95 2jcc s ALA 191 Ca 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2jcc s ALA 191 Cb -0.06 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.09 2jcc s ALA 191 CO 0.24 -0.02 0.03 -1.17 0.00 0.00 0.00 175.76 174.84 2jcc s LEU 192 N -0.72 1.65 0.07 0.00 2.96 -0.27 0.38 118.68 122.74 2jcc s LEU 192 Ca -0.06 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2jcc s LEU 192 Cb -0.05 0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.68 2jcc s LEU 192 CO -0.00 -0.04 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.93 2jcc s SER 193 N 0.32 1.34 0.04 3.68 1.04 -1.26 -1.35 113.70 117.51 2jcc s SER 193 Ca -0.03 -0.65 -0.12 0.00 0.48 0.00 0.00 55.95 55.64 2jcc s SER 193 Cb -0.04 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.09 2jcc s SER 193 CO -0.01 -0.17 0.25 -0.55 0.98 0.00 0.00 173.24 173.74 2jcc s SER 194 N -1.88 -0.05 0.01 7.02 0.15 -0.87 -1.23 113.70 116.84 2jcc s SER 194 Ca -0.03 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.38 2jcc s SER 194 Cb -0.08 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 2jcc s SER 194 CO 0.01 -0.58 0.01 -0.13 1.20 0.00 0.00 173.24 173.75 2jcc s ARG 195 N -2.50 2.79 -0.17 5.44 0.52 -0.95 -1.18 118.95 122.90 2jcc s ARG 195 Ca -0.05 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2jcc s ARG 195 Cb -0.01 -2.67 0.04 0.00 0.52 0.00 0.00 34.95 32.83 2jcc s ARG 195 CO -0.03 0.62 -0.05 -1.17 0.02 0.00 0.00 175.30 174.68 2jcc s LEU 196 N -1.63 1.69 -0.15 2.53 2.96 0.16 -2.93 118.68 121.31 2jcc s LEU 196 Ca 0.20 -0.71 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2jcc s LEU 196 Cb -0.12 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 2jcc s LEU 196 CO 0.11 -0.19 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.25 2jcc s ARG 197 N 1.61 3.40 0.18 1.98 3.52 -0.96 0.17 118.95 128.84 2jcc s ARG 197 Ca 0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 2jcc s ARG 197 Cb -0.16 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2jcc s ARG 197 CO -0.08 0.13 0.06 0.14 -0.81 0.00 0.00 175.30 174.74 2jcc s VAL 198 N 0.59 0.33 0.78 7.11 -7.23 -0.60 -4.79 120.40 116.60 2jcc s VAL 198 Ca -0.07 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 2jcc s VAL 198 Cb -0.15 -2.25 0.07 0.00 0.56 0.00 0.00 36.38 34.61 2jcc s VAL 198 CO 0.03 -0.31 1.14 -0.94 -0.31 0.00 0.00 175.10 174.72 2jcc s SER 199 N -3.15 4.03 0.13 4.85 1.04 -1.26 -0.59 113.70 118.75 2jcc s SER 199 Ca 0.29 2.11 -0.26 0.00 0.48 0.00 0.00 55.95 58.57 2jcc s SER 199 Cb 0.07 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 2jcc s SER 199 CO 0.06 -2.36 1.62 0.00 0.98 0.00 0.00 173.24 173.55 2jcc h ALA 200 N -0.93 -0.38 -0.08 5.32 0.00 -1.65 -2.19 119.26 119.35 2jcc h ALA 200 Ca -0.45 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2jcc h ALA 200 Cb 1.26 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 2jcc h ALA 200 CO 0.48 -0.79 0.08 1.15 0.00 0.00 0.00 179.25 180.18 2jcc h THR 201 N -0.42 0.55 0.44 0.00 2.02 -1.93 0.19 112.91 113.76 2jcc h THR 201 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2jcc h THR 201 Cb 0.52 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2jcc h THR 201 CO -0.26 0.00 -0.21 0.15 0.37 0.00 0.00 175.52 175.56 2jcc h PHE 202 N 0.00 -0.55 -0.81 3.16 3.57 -1.77 -3.21 116.94 117.34 2jcc h PHE 202 Ca 0.04 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.69 2jcc h PHE 202 Cb 0.20 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 2jcc h PHE 202 CO 0.00 -0.32 0.54 2.35 -2.23 0.00 0.00 178.31 178.65 2jcc h TRP 203 N -1.14 0.52 0.00 0.41 -0.00 -1.16 -1.93 115.95 112.64 2jcc h TRP 203 Ca -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.84 2jcc h TRP 203 Cb 0.47 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.47 2jcc h TRP 203 CO 0.00 0.18 0.00 0.72 -0.00 0.00 0.00 178.44 179.34 2jcc n HIS 204 N -4.49 0.00 -3.53 2.65 8.25 0.63 -2.23 115.22 116.51 2jcc n HIS 204 Ca 0.16 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 2jcc n HIS 204 Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.60 6.07 0.00 0.41 3.84 -0.73 -4.27 114.94 118.66 2jcc s ASN 205 Ca 0.03 -0.26 0.06 0.00 0.21 0.00 0.00 52.86 52.90 2jcc s ASN 205 Cb 0.01 -2.14 0.37 0.00 -0.55 0.00 0.00 41.25 38.94 2jcc s ASN 205 CO 0.02 -0.19 0.81 -2.65 -2.79 0.00 0.00 177.10 172.30 2jcc n PRO 206 N 5.13 0.46 -0.00 0.43 -0.02 -1.25 -0.70 135.00 139.04 2jcc n PRO 206 Ca -0.12 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.42 2jcc n PRO 206 Cb 0.50 -1.21 -0.10 0.00 -0.02 0.00 0.00 33.50 32.68 2jcc n PRO 206 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2jcc n ARG 207 N -0.71 1.21 -2.86 -0.52 -4.01 -1.26 -4.80 116.66 103.71 2jcc n ARG 207 Ca 0.05 -0.08 -0.44 0.00 -1.04 0.00 0.00 57.85 56.34 2jcc n ARG 207 Cb 0.02 -1.26 -0.01 0.00 -3.04 0.00 0.00 32.46 28.18 2jcc n ARG 207 CO 0.00 0.00 0.00 -0.80 -3.04 0.00 0.00 177.63 173.79 2jcc s ASN 208 N -3.11 6.94 0.20 2.89 0.01 0.12 -4.96 114.94 117.03 2jcc s ASN 208 Ca -0.01 -2.68 -0.30 0.00 -0.71 0.00 0.00 52.86 49.15 2jcc s ASN 208 Cb 0.09 -2.44 -0.09 0.00 0.41 0.00 0.00 41.25 39.22 2jcc s ASN 208 CO 0.57 -0.91 1.40 -2.28 -1.51 0.00 0.00 177.10 174.38 2jcc s HIS 209 N 2.41 3.14 0.22 2.20 5.65 -1.26 -2.13 115.29 125.51 2jcc s HIS 209 Ca 0.44 1.04 0.10 0.00 0.25 0.00 0.00 55.06 56.88 2jcc s HIS 209 Cb -0.02 -3.74 -0.05 0.00 -1.18 0.00 0.00 32.58 27.60 2jcc s HIS 209 CO -0.00 -2.44 -0.18 -0.06 -0.65 0.00 0.00 174.74 171.40 2jcc s PHE 210 N 0.32 1.99 -0.27 3.88 0.08 -0.38 -0.21 117.98 123.39 2jcc s PHE 210 Ca 0.60 -0.45 -0.26 0.00 0.12 0.00 0.00 56.93 56.95 2jcc s PHE 210 Cb -0.40 -0.92 0.14 0.00 -0.57 0.00 0.00 43.02 41.28 2jcc s PHE 210 CO 0.38 0.49 1.12 -0.98 -0.10 0.00 0.00 175.22 176.13 2jcc s ARG 211 N -3.34 0.42 -0.17 0.44 1.70 -0.41 -1.40 118.95 116.18 2jcc s ARG 211 Ca 0.24 0.42 -0.04 0.00 -0.47 0.00 0.00 55.73 55.87 2jcc s ARG 211 Cb -0.04 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2jcc s ARG 211 CO 0.10 -0.07 -0.02 0.00 -1.08 0.00 0.00 175.30 174.23 2jcc s GLN 213 N 0.64 3.28 -0.21 0.00 0.74 -0.36 -3.10 119.66 120.64 2jcc s GLN 213 Ca -0.02 -0.72 -0.00 0.00 0.05 0.00 0.00 55.36 54.67 2jcc s GLN 213 Cb -0.14 -2.65 0.02 0.00 1.10 0.00 0.00 33.01 31.34 2jcc s GLN 213 CO 0.02 0.07 -0.13 0.08 -0.55 0.00 0.00 175.29 174.78 2jcc s VAL 214 N 0.70 2.53 -0.18 1.34 1.01 -1.17 -0.93 120.40 123.70 2jcc s VAL 214 Ca -0.07 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 2jcc s VAL 214 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2jcc s VAL 214 CO 0.02 0.40 0.67 -1.58 0.00 0.00 0.00 175.10 174.61 2jcc s GLN 215 N 1.32 4.24 -0.19 2.72 0.74 0.13 -2.15 119.66 126.47 2jcc s GLN 215 Ca 0.03 0.70 -0.03 0.00 0.05 0.00 0.00 55.36 56.12 2jcc s GLN 215 Cb -0.15 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 2jcc s GLN 215 CO -0.08 -0.23 -0.07 0.12 -0.55 0.00 0.00 175.29 174.47 2jcc s PHE 216 N 1.87 2.92 -0.24 1.67 5.36 0.05 -0.97 117.98 128.64 2jcc s PHE 216 Ca 0.31 -0.90 -0.12 0.00 -0.96 0.00 0.00 56.93 55.26 2jcc s PHE 216 Cb -0.16 -2.03 -0.05 0.00 -0.34 0.00 0.00 43.02 40.45 2jcc s PHE 216 CO 0.11 -0.47 0.25 -1.01 -1.46 0.00 0.00 175.22 172.64 2jcc s HIS 217 N 1.16 3.32 0.00 10.12 3.76 0.01 -1.64 115.29 132.03 2jcc s HIS 217 Ca 0.02 0.34 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 2jcc s HIS 217 Cb -0.14 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.17 2jcc s HIS 217 CO -0.02 0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 2jcc n GLY 218 N 4.29 3.50 3.92 -2.22 0.00 -1.26 -4.62 105.19 108.79 2jcc n GLY 218 Ca -0.13 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 2.97 0.40 0.99 1.43 -0.92 -4.24 118.68 119.32 2jcc s LEU 219 Ca 0.00 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 2jcc s LEU 219 Cb 0.00 -3.41 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 2jcc s LEU 219 CO 0.00 -1.37 0.06 -0.55 0.23 0.00 0.00 176.35 174.71 2jcc s SER 220 N -4.42 4.05 0.54 2.29 0.15 -1.26 -3.42 113.70 111.63 2jcc s SER 220 Ca 0.57 -1.26 0.27 0.00 0.70 0.00 0.00 55.95 56.24 2jcc s SER 220 Cb -0.11 -0.43 1.43 0.00 -1.71 0.00 0.00 66.02 65.21 2jcc s SER 220 CO 0.46 -0.46 1.96 -0.33 1.20 0.00 0.00 173.24 176.08 2jcc h GLU 221 N 1.68 0.00 0.00 5.44 4.39 -2.03 0.14 114.58 124.20 2jcc h GLU 221 Ca -0.43 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.20 2jcc h GLU 221 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2jcc h GLU 221 CO 0.76 0.00 -0.32 0.93 -1.16 0.00 0.00 179.01 179.22 2jcc h GLU 222 N 0.00 0.00 -6.77 2.33 4.39 -2.05 -3.44 114.58 109.04 2jcc h GLU 222 Ca 0.29 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.48 2jcc h GLU 222 Cb 1.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2jcc h GLU 222 CO -0.00 0.32 0.48 -0.51 -1.16 0.00 0.00 179.01 178.14 2jcc s ASP 223 N -6.80 7.26 0.19 1.42 1.01 0.03 -5.01 116.67 114.76 2jcc s ASP 223 Ca -0.03 2.23 -0.24 0.00 0.71 0.00 0.00 52.55 55.22 2jcc s ASP 223 Cb 0.14 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.37 2jcc s ASP 223 CO 0.70 -0.16 0.78 -0.54 0.21 0.00 0.00 175.17 176.16 2jcc s LYS 224 N -1.17 4.52 -0.01 8.23 1.02 -1.26 -4.92 119.74 126.14 2jcc s LYS 224 Ca 0.46 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.57 2jcc s LYS 224 Cb -0.31 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 2jcc s LYS 224 CO 0.40 0.53 0.02 -0.46 -0.92 0.00 0.00 175.35 174.91 2jcc s TRP 225 N -1.24 0.06 0.60 3.18 -0.11 -1.26 -5.07 118.94 115.10 2jcc s TRP 225 Ca 0.38 0.07 -0.19 0.00 1.22 0.00 0.00 56.10 57.58 2jcc s TRP 225 Cb -0.22 -0.19 -0.03 0.00 -1.50 0.00 0.00 33.47 31.53 2jcc s TRP 225 CO 0.25 -0.07 1.27 -2.14 -4.62 0.00 0.00 176.95 171.64 2jcc s PRO 226 N 0.74 2.88 0.59 5.86 0.02 -1.26 -4.90 135.00 138.93 2jcc s PRO 226 Ca -0.06 1.99 0.33 0.00 0.02 0.00 0.00 61.00 63.28 2jcc s PRO 226 Cb -0.09 -1.98 1.82 0.00 0.02 0.00 0.00 34.50 34.26 2jcc s PRO 226 CO -0.02 -1.32 2.01 0.93 -0.33 0.00 0.00 177.00 178.28 2jcc h GLU 227 N 0.92 0.00 0.00 5.54 4.39 -2.03 -3.36 114.58 120.04 2jcc h GLU 227 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2jcc h GLU 227 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2jcc h GLU 227 CO 0.55 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 2jcc n GLY 228 N -1.18 -2.55 1.56 -3.84 0.00 -1.26 -4.96 105.19 92.97 2jcc n GLY 228 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2jcc n GLY 228 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jcc n SER 229 N -0.22 0.18 -4.82 1.61 3.41 -1.26 -5.06 113.62 107.46 2jcc n SER 229 Ca 0.00 -1.27 -0.35 0.00 -0.26 0.00 0.00 58.87 57.00 2jcc n SER 229 Cb 0.00 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2jcc n SER 229 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2jcc s PRO 230 N -3.99 4.25 0.02 4.33 0.05 -1.26 -4.98 135.00 133.42 2jcc s PRO 230 Ca 0.29 0.96 -0.30 0.00 0.05 0.00 0.00 61.00 62.00 2jcc s PRO 230 Cb -0.01 -2.61 -0.06 0.00 0.05 0.00 0.00 34.50 31.87 2jcc s PRO 230 CO 0.20 0.22 1.49 0.21 0.05 0.00 0.00 177.00 179.17 2jcc s LYS 231 N -2.50 4.25 -0.75 4.56 2.20 -1.26 -4.91 119.74 121.33 2jcc s LYS 231 Ca 0.51 2.08 -0.05 0.00 -0.36 0.00 0.00 55.97 58.16 2jcc s LYS 231 Cb -0.14 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2jcc s LYS 231 CO 0.19 -0.63 1.92 -2.30 -0.36 0.00 0.00 175.35 174.16 2jcc n PRO 232 N 5.49 1.72 -1.61 4.03 -0.02 -1.26 -4.91 135.00 138.43 2jcc n PRO 232 Ca 0.14 -1.29 -0.29 0.00 -2.02 0.00 0.00 63.50 60.04 2jcc n PRO 232 Cb 0.43 -2.37 0.15 0.00 -0.02 0.00 0.00 33.50 31.68 2jcc n PRO 232 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2jcc s VAL 233 N 3.68 1.96 0.02 -1.45 -7.23 -1.26 -2.17 120.40 113.94 2jcc s VAL 233 Ca 0.33 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 2jcc s VAL 233 Cb 0.08 -2.80 -0.08 0.00 0.56 0.00 0.00 36.38 34.14 2jcc s VAL 233 CO -0.03 0.00 1.82 -0.89 -0.31 0.00 0.00 175.10 175.69 2jcc s THR 234 N -3.40 3.17 0.15 5.32 2.01 -1.22 -4.42 115.64 117.25 2jcc s THR 234 Ca 0.66 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.76 2jcc s THR 234 Cb -0.12 -3.19 0.06 0.00 0.01 0.00 0.00 72.50 69.25 2jcc s THR 234 CO 0.53 -0.02 0.52 0.00 -0.69 0.00 0.00 174.62 174.96 2jcc s GLN 235 N 3.98 1.20 -0.09 4.92 -2.07 -0.65 -4.97 119.66 121.98 2jcc s GLN 235 Ca 0.81 -0.57 -0.02 0.00 -1.82 0.00 0.00 55.36 53.76 2jcc s GLN 235 Cb -0.40 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 2jcc s GLN 235 CO 0.36 -0.51 -0.02 -0.80 -1.32 0.00 0.00 175.29 173.01 2jcc s ASN 236 N -2.77 5.03 -0.11 12.60 0.01 -1.26 -0.77 114.94 127.67 2jcc s ASN 236 Ca 0.02 0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.22 2jcc s ASN 236 Cb 0.00 -1.45 0.03 0.00 0.41 0.00 0.00 41.25 40.24 2jcc s ASN 236 CO -0.12 0.34 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.13 2jcc s ILE 237 N -0.65 0.77 0.18 0.60 1.01 -0.91 -4.99 121.20 117.20 2jcc s ILE 237 Ca 0.10 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.66 2jcc s ILE 237 Cb -0.12 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2jcc s ILE 237 CO 0.02 0.28 -0.06 -0.44 0.00 0.00 0.00 174.94 174.74 2jcc s SER 238 N 1.81 4.43 0.19 3.58 0.01 -1.26 -3.02 113.70 119.43 2jcc s SER 238 Ca 0.04 -0.53 0.10 0.00 1.31 0.00 0.00 55.95 56.88 2jcc s SER 238 Cb -0.13 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.24 2jcc s SER 238 CO -0.07 0.09 -0.21 0.00 0.41 0.00 0.00 173.24 173.46 2jcc s ALA 239 N -1.75 2.33 -0.03 1.44 0.00 -1.18 -4.90 121.76 117.67 2jcc s ALA 239 Ca 0.26 -1.60 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 2jcc s ALA 239 Cb -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2jcc s ALA 239 CO 0.16 0.34 0.31 -1.83 0.00 0.00 0.00 175.76 174.74 2jcc s GLU 240 N -2.79 0.61 -0.01 0.00 -1.05 -1.26 -1.83 118.70 112.37 2jcc s GLU 240 Ca 0.19 -0.08 -0.22 0.00 -0.15 0.00 0.00 54.97 54.72 2jcc s GLU 240 Cb -0.07 0.27 0.04 0.00 -0.44 0.00 0.00 34.13 33.94 2jcc s GLU 240 CO 0.09 -0.16 0.47 0.00 0.95 0.00 0.00 175.26 176.62 2jcc s ALA 241 N -1.05 -1.21 0.35 -0.84 0.00 -0.50 -5.00 121.76 113.52 2jcc s ALA 241 Ca -0.11 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.60 2jcc s ALA 241 Cb -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2jcc s ALA 241 CO 0.03 -0.36 0.39 -1.58 0.00 0.00 0.00 175.76 174.25 2jcc s TRP 242 N -1.59 2.95 0.44 0.00 0.51 -1.26 -1.24 118.94 118.74 2jcc s TRP 242 Ca -0.10 -0.30 -0.14 0.00 -2.12 0.00 0.00 56.10 53.44 2jcc s TRP 242 Cb -0.02 -1.96 -0.07 0.00 -0.81 0.00 0.00 33.47 30.61 2jcc s TRP 242 CO 0.04 0.03 0.86 0.20 -0.51 0.00 0.00 176.95 177.57 2jcc s GLY 243 N -4.10 2.04 0.46 0.98 0.00 -0.91 -5.00 107.32 100.79 2jcc s GLY 243 Ca 0.44 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 45.18 2jcc s GLY 243 CO 0.29 0.22 0.05 0.50 0.00 0.00 0.00 173.10 174.15 2jcc s ARG 244 N -3.84 2.07 0.00 2.90 0.52 -0.95 -3.96 118.95 115.69 2jcc s ARG 244 Ca 0.55 -2.29 0.01 0.00 -0.52 0.00 0.00 55.73 53.48 2jcc s ARG 244 Cb -0.10 -1.19 0.04 0.00 0.52 0.00 0.00 34.95 34.22 2jcc s ARG 244 CO 0.29 -0.38 0.54 0.00 0.02 0.00 0.00 175.30 175.77