#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jec s ALA 3 N 0.00 3.04 0.95 -5.12 0.00 -1.26 -5.05 121.76 114.33 2jec s ALA 3 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 2jec s ALA 3 Cb 0.00 -3.24 0.15 0.00 0.00 0.00 0.00 23.12 20.03 2jec s ALA 3 CO 0.00 -0.13 1.00 -0.25 0.00 0.00 0.00 175.76 176.39 2jec n ASP 4 N -0.30 -0.29 -4.33 0.00 8.00 -1.26 -5.03 116.55 113.33 2jec n ASP 4 Ca 0.06 0.34 -0.36 0.00 0.71 0.00 0.00 54.79 55.54 2jec n ASP 4 Cb 0.51 -1.41 -0.13 0.00 -0.02 0.00 0.00 41.12 40.07 2jec n ASP 4 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jec s THR 5 N -2.57 3.66 -0.12 -3.53 2.01 -1.26 -5.03 115.64 108.81 2jec s THR 5 Ca 0.65 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2jec s THR 5 Cb -0.23 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2jec s THR 5 CO 0.60 0.29 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.96 2jec s ILE 6 N 1.49 2.07 -0.12 1.82 -1.09 -1.26 -3.25 121.20 120.86 2jec s ILE 6 Ca 0.04 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 2jec s ILE 6 Cb -0.15 -1.80 -0.01 0.00 -1.58 0.00 0.00 42.46 38.92 2jec s ILE 6 CO -0.01 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.39 2jec s VAL 7 N 0.56 2.56 0.02 2.92 1.01 -0.55 -0.30 120.40 126.62 2jec s VAL 7 Ca -0.13 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2jec s VAL 7 Cb -0.17 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2jec s VAL 7 CO 0.04 0.54 0.16 0.00 0.00 0.00 0.00 175.10 175.84 2jec s ALA 8 N 0.40 -0.33 -0.26 5.51 0.00 0.15 -0.21 121.76 127.02 2jec s ALA 8 Ca -0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 2jec s ALA 8 Cb -0.17 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2jec s ALA 8 CO 0.06 -0.28 0.05 0.08 0.00 0.00 0.00 175.76 175.67 2jec s VAL 9 N -1.99 3.96 -0.08 0.00 1.01 0.02 -0.14 120.40 123.18 2jec s VAL 9 Ca -0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2jec s VAL 9 Cb -0.04 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2jec s VAL 9 CO -0.01 0.26 0.02 -1.83 0.00 0.00 0.00 175.10 173.53 2jec s GLU 10 N 1.54 3.01 -0.54 2.72 -1.05 -0.29 -1.85 118.70 122.24 2jec s GLU 10 Ca 0.05 -0.40 -0.06 0.00 -0.15 0.00 0.00 54.97 54.40 2jec s GLU 10 Cb -0.16 -2.82 0.14 0.00 -0.44 0.00 0.00 34.13 30.85 2jec s GLU 10 CO 0.02 0.70 0.38 -0.51 0.95 0.00 0.00 175.26 176.80 2jec s LEU 11 N -0.97 5.58 -0.52 1.83 1.02 0.47 -1.36 118.68 124.72 2jec s LEU 11 Ca 0.14 -2.29 -0.16 0.00 0.02 0.00 0.00 54.13 51.85 2jec s LEU 11 Cb -0.11 -1.95 0.11 0.00 0.02 0.00 0.00 46.19 44.26 2jec s LEU 11 CO 0.03 -0.56 0.47 -0.62 0.02 0.00 0.00 176.35 175.70 2jec s ASP 12 N 1.87 6.18 0.23 2.29 3.68 0.18 -1.72 116.67 129.38 2jec s ASP 12 Ca 0.11 -1.67 0.26 0.00 2.13 0.00 0.00 52.55 53.38 2jec s ASP 12 Cb -0.22 -2.20 0.81 0.00 -1.45 0.00 0.00 42.92 39.86 2jec s ASP 12 CO -0.03 -0.80 1.77 0.77 0.13 0.00 0.00 175.17 177.00 2jec h SER 13 N 8.85 0.00 -3.40 -0.34 4.64 -1.66 -2.08 113.55 119.56 2jec h SER 13 Ca -0.30 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.45 2jec h SER 13 Cb 1.10 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.81 2jec h SER 13 CO 1.00 0.00 -0.79 -0.47 -0.87 0.00 0.00 176.83 175.70 2jec s TYR 14 N -3.13 1.92 -0.18 4.77 5.04 -1.23 -4.56 117.35 119.99 2jec s TYR 14 Ca 0.10 -1.29 -0.29 0.00 -2.44 0.00 0.00 57.07 53.15 2jec s TYR 14 Cb 0.12 -1.41 -0.03 0.00 0.35 0.00 0.00 41.96 40.99 2jec s TYR 14 CO 0.58 -0.67 1.65 -2.14 -1.34 0.00 0.00 175.55 173.63 2jec s PRO 15 N 1.56 3.87 -0.91 4.97 0.02 -1.26 -4.95 135.00 138.30 2jec s PRO 15 Ca -0.01 1.81 -0.05 0.00 0.02 0.00 0.00 61.00 62.77 2jec s PRO 15 Cb -0.16 -4.04 0.23 0.00 0.02 0.00 0.00 34.50 30.55 2jec s PRO 15 CO -0.08 -1.21 0.82 -0.80 -0.33 0.00 0.00 177.00 175.40 2jec s ASN 16 N 4.17 6.33 0.60 2.53 -0.87 -1.26 -4.93 114.94 121.51 2jec s ASN 16 Ca 0.73 -3.46 0.39 0.00 -1.57 0.00 0.00 52.86 48.95 2jec s ASN 16 Cb -0.27 -2.02 1.85 0.00 -0.02 0.00 0.00 41.25 40.79 2jec s ASN 16 CO 0.29 -0.28 2.16 0.71 -2.57 0.00 0.00 177.10 177.41 2jec h THR 17 N 4.21 0.00 0.00 1.60 1.35 -1.88 -2.19 112.91 116.00 2jec h THR 17 Ca 0.13 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2jec h THR 17 Cb 0.87 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2jec h THR 17 CO 0.86 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.23 2jec n ASP 18 N -3.07 0.66 -0.78 5.36 3.85 -1.26 -2.44 116.55 118.87 2jec n ASP 18 Ca -0.01 0.57 0.08 0.00 -0.71 0.00 0.00 54.79 54.72 2jec n ASP 18 Cb 0.20 -0.74 0.24 0.00 -1.35 0.00 0.00 41.12 39.46 2jec n ASP 18 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 2jec n ILE 19 N -2.13 2.25 -0.37 2.12 -5.35 -0.85 -5.00 119.36 110.03 2jec n ILE 19 Ca 0.06 -2.01 0.00 0.00 -0.27 0.00 0.00 62.75 60.52 2jec n ILE 19 Cb 0.40 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 2jec n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jec n GLY 20 N -0.71 0.76 3.69 3.28 0.00 -1.02 -4.73 105.19 106.45 2jec n GLY 20 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2jec n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jec n ASP 21 N 0.00 1.99 -4.77 1.61 8.00 -1.04 -4.91 116.55 117.43 2jec n ASP 21 Ca 0.00 0.95 -0.32 0.00 0.71 0.00 0.00 54.79 56.13 2jec n ASP 21 Cb 0.00 -1.49 0.07 0.00 -0.02 0.00 0.00 41.12 39.68 2jec n ASP 21 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2jec s PRO 22 N -2.69 2.52 -0.15 -0.24 0.04 -1.26 -4.31 135.00 128.91 2jec s PRO 22 Ca 0.71 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 2jec s PRO 22 Cb -0.44 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.01 2jec s PRO 22 CO 0.50 -1.45 3.34 -1.71 0.04 0.00 0.00 177.00 177.73 2jec n ASN 23 N -3.06 5.64 -3.50 6.66 4.05 -1.26 -4.67 115.26 119.12 2jec n ASN 23 Ca 0.09 -2.72 -0.11 0.00 0.45 0.00 0.00 54.58 52.30 2jec n ASN 23 Cb 0.53 -1.36 -0.03 0.00 1.23 0.00 0.00 39.78 40.15 2jec n ASN 23 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2jec s TYR 24 N 0.10 -0.43 0.37 1.20 -0.85 -1.26 -5.02 117.35 111.47 2jec s TYR 24 Ca 0.64 0.42 -0.27 0.00 -0.52 0.00 0.00 57.07 57.34 2jec s TYR 24 Cb 0.34 0.51 -0.11 0.00 0.38 0.00 0.00 41.96 43.08 2jec s TYR 24 CO -0.07 -0.58 1.27 -2.30 -1.52 0.00 0.00 175.55 172.36 2jec n PRO 25 N 0.04 2.05 -3.68 -3.49 -0.02 -1.26 -4.61 135.00 124.02 2jec n PRO 25 Ca -0.12 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 2jec n PRO 25 Cb 0.61 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 2jec n PRO 25 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2jec s HIS 26 N -1.13 -0.22 0.10 6.00 -3.43 -0.78 -1.12 115.29 114.70 2jec s HIS 26 Ca 0.57 0.12 0.03 0.00 -0.80 0.00 0.00 55.06 54.99 2jec s HIS 26 Cb -0.55 0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 30.76 2jec s HIS 26 CO 0.61 -0.58 0.13 0.96 -2.00 0.00 0.00 174.74 173.86 2jec s ILE 27 N -2.69 4.73 0.11 -5.38 -4.36 -0.03 -0.64 121.20 112.94 2jec s ILE 27 Ca -0.04 -0.77 -0.13 0.00 -0.26 0.00 0.00 60.65 59.45 2jec s ILE 27 Cb -0.00 -3.33 0.02 0.00 1.25 0.00 0.00 42.46 40.40 2jec s ILE 27 CO -0.04 0.06 0.32 -0.83 0.24 0.00 0.00 174.94 174.68 2jec s GLY 28 N -2.65 -0.11 -0.21 6.27 0.00 -0.47 -1.26 107.32 108.89 2jec s GLY 28 Ca 0.31 -0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 2jec s GLY 28 CO 0.24 -0.51 -0.03 -0.42 0.00 0.00 0.00 173.10 172.38 2jec s ILE 29 N -3.83 3.59 -0.24 0.90 1.01 -0.18 -1.14 121.20 121.32 2jec s ILE 29 Ca 0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 2jec s ILE 29 Cb 0.03 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2jec s ILE 29 CO -0.11 0.42 0.05 -1.81 0.00 0.00 0.00 174.94 173.49 2jec s ASP 30 N 1.30 5.00 -0.43 3.58 1.01 0.81 -1.11 116.67 126.82 2jec s ASP 30 Ca 0.04 -0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.08 2jec s ASP 30 Cb -0.14 -1.89 0.12 0.00 1.01 0.00 0.00 42.92 42.01 2jec s ASP 30 CO -0.01 -0.03 0.18 -0.63 0.21 0.00 0.00 175.17 174.89 2jec s ILE 31 N 1.59 2.72 -1.79 0.77 -1.09 -1.26 -0.67 121.20 121.46 2jec s ILE 31 Ca 0.06 -2.60 0.00 0.00 -2.23 0.00 0.00 60.65 55.88 2jec s ILE 31 Cb -0.15 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 2jec s ILE 31 CO 0.03 -0.70 0.00 0.29 -1.23 0.00 0.00 174.94 173.33 2jec n LYS 32 N 3.95 -1.26 -3.59 2.79 5.02 0.59 -4.95 118.16 120.71 2jec n LYS 32 Ca 0.03 1.06 -0.13 0.00 -2.02 0.00 0.00 58.31 57.25 2jec n LYS 32 Cb 0.39 -5.36 -0.06 0.00 -0.02 0.00 0.00 35.03 29.98 2jec n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jec s SER 33 N -2.68 -0.58 0.50 4.39 0.15 -1.26 -4.94 113.70 109.28 2jec s SER 33 Ca 0.00 0.90 0.34 0.00 0.70 0.00 0.00 55.95 57.88 2jec s SER 33 Cb 0.00 0.83 1.62 0.00 -1.71 0.00 0.00 66.02 66.76 2jec s SER 33 CO 0.00 -0.35 2.01 -0.29 1.20 0.00 0.00 173.24 175.81 2jec h ILE 34 N 3.33 0.00 -2.38 6.45 6.09 -1.84 -3.40 117.51 125.76 2jec h ILE 34 Ca -0.26 -0.22 -0.63 0.00 -1.37 0.00 0.00 64.86 62.38 2jec h ILE 34 Cb 1.16 1.08 -0.14 0.00 0.47 0.00 0.00 36.82 39.39 2jec h ILE 34 CO 0.21 0.00 0.79 -0.13 -3.07 0.00 0.00 178.15 175.95 2jec s ARG 35 N -3.74 3.30 0.28 2.19 0.52 -1.26 -4.96 118.95 115.28 2jec s ARG 35 Ca -0.01 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.88 2jec s ARG 35 Cb 0.10 -4.52 -0.13 0.00 0.52 0.00 0.00 34.95 30.91 2jec s ARG 35 CO 0.42 -1.89 1.28 0.43 0.02 0.00 0.00 175.30 175.56 2jec n SER 36 N 7.76 2.42 0.21 0.23 7.64 -1.26 -4.82 113.62 125.79 2jec n SER 36 Ca 0.08 1.17 0.08 0.00 1.01 0.00 0.00 58.87 61.22 2jec n SER 36 Cb 0.47 -1.41 0.37 0.00 -1.01 0.00 0.00 64.21 62.63 2jec n SER 36 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2jec h LYS 37 N 3.18 0.00 -2.71 1.43 1.79 -1.47 -3.45 116.57 115.35 2jec h LYS 37 Ca -0.44 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.91 2jec h LYS 37 Cb 1.29 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.69 2jec h LYS 37 CO 0.68 0.27 -0.26 0.45 -1.08 0.00 0.00 179.45 179.51 2jec s SER 38 N -6.26 -0.46 0.17 0.86 0.15 -1.22 -5.00 113.70 101.94 2jec s SER 38 Ca 0.01 0.85 0.03 0.00 0.70 0.00 0.00 55.95 57.55 2jec s SER 38 Cb 0.10 0.81 -0.05 0.00 -1.71 0.00 0.00 66.02 65.17 2jec s SER 38 CO 0.66 -0.16 -0.05 0.42 1.20 0.00 0.00 173.24 175.31 2jec s THR 39 N 0.65 0.99 -0.02 6.45 -4.23 -1.26 -1.01 115.64 117.21 2jec s THR 39 Ca -0.03 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 2jec s THR 39 Cb -0.05 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.76 2jec s THR 39 CO -0.04 -0.57 0.05 0.00 -0.54 0.00 0.00 174.62 173.52 2jec s ALA 40 N -3.44 -0.11 0.18 3.99 0.00 -0.39 -4.99 121.76 117.01 2jec s ALA 40 Ca 0.21 0.21 -0.33 0.00 0.00 0.00 0.00 51.96 52.05 2jec s ALA 40 Cb 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 23.12 22.89 2jec s ALA 40 CO 0.03 -0.05 1.53 -2.13 0.00 0.00 0.00 175.76 175.15 2jec n ARG 41 N 3.31 2.11 -3.17 0.00 0.63 -1.26 -0.85 116.66 117.43 2jec n ARG 41 Ca -0.16 0.76 -0.41 0.00 -0.92 0.00 0.00 57.85 57.13 2jec n ARG 41 Cb 0.58 -2.50 -0.07 0.00 0.45 0.00 0.00 32.46 30.92 2jec n ARG 41 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2jec s TRP 42 N 0.65 3.23 -0.83 -0.14 -0.00 -0.28 -4.77 118.94 116.80 2jec s TRP 42 Ca 0.76 0.58 -0.22 0.00 -0.00 0.00 0.00 56.10 57.22 2jec s TRP 42 Cb -0.68 -2.88 -0.15 0.00 -0.00 0.00 0.00 33.47 29.77 2jec s TRP 42 CO 0.41 -0.40 1.92 0.09 -0.00 0.00 0.00 176.95 178.97 2jec n ASN 43 N 5.74 2.61 -4.78 5.86 3.02 -1.26 -4.80 115.26 121.65 2jec n ASN 43 Ca -0.02 -2.68 -0.39 0.00 -0.03 0.00 0.00 54.58 51.45 2jec n ASN 43 Cb 0.49 -1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.40 2jec n ASN 43 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2jec s MET 44 N 5.20 4.45 -0.48 3.52 1.75 -1.26 -4.86 119.30 127.62 2jec s MET 44 Ca 0.59 1.01 0.05 0.00 -1.25 0.00 0.00 55.69 56.09 2jec s MET 44 Cb 0.12 -3.27 0.20 0.00 2.84 0.00 0.00 34.83 34.72 2jec s MET 44 CO 0.12 0.55 0.44 1.04 -0.65 0.00 0.00 175.02 176.53 2jec n GLN 45 N 1.81 0.80 -1.63 4.11 6.02 -1.26 -5.10 117.38 122.12 2jec n GLN 45 Ca -0.07 -3.54 -0.47 0.00 -0.01 0.00 0.00 57.00 52.91 2jec n GLN 45 Cb 0.49 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 30.00 2jec n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2jec n THR 46 N 2.18 0.53 0.00 5.09 -1.04 -1.26 -1.74 114.28 118.05 2jec n THR 46 Ca 0.26 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2jec n THR 46 Cb 0.46 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2jec n THR 46 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jec n GLY 47 N 2.49 1.57 3.60 3.41 0.00 0.18 -5.00 105.19 111.44 2jec n GLY 47 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2jec n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jec s LYS 48 N -0.57 2.46 0.05 1.61 1.02 -0.71 -4.98 119.74 118.62 2jec s LYS 48 Ca 0.00 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 2jec s LYS 48 Cb 0.00 -2.46 -0.06 0.00 -0.52 0.00 0.00 37.83 34.78 2jec s LYS 48 CO 0.00 0.58 1.36 0.08 -0.92 0.00 0.00 175.35 176.45 2jec s VAL 49 N -1.07 3.62 0.29 3.17 1.01 -1.26 -4.52 120.40 121.64 2jec s VAL 49 Ca 0.19 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.35 2jec s VAL 49 Cb -0.11 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2jec s VAL 49 CO 0.10 0.04 0.10 -0.83 0.00 0.00 0.00 175.10 174.51 2jec s GLY 50 N 1.48 1.69 -0.01 4.51 0.00 -0.69 -4.12 107.32 110.18 2jec s GLY 50 Ca 0.63 -1.65 0.05 0.00 0.00 0.00 0.00 44.72 43.75 2jec s GLY 50 CO 0.28 -1.66 -0.15 -1.59 0.00 0.00 0.00 173.10 169.98 2jec s THR 51 N -2.31 1.18 -0.07 0.90 2.01 0.14 -1.41 115.64 116.08 2jec s THR 51 Ca 0.34 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.73 2jec s THR 51 Cb -0.06 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.47 2jec s THR 51 CO 0.22 0.32 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.58 2jec s VAL 52 N -0.37 1.73 -0.11 3.82 1.01 0.52 -1.41 120.40 125.58 2jec s VAL 52 Ca 0.06 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2jec s VAL 52 Cb -0.06 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.84 2jec s VAL 52 CO -0.00 0.49 -0.16 -1.00 0.00 0.00 0.00 175.10 174.42 2jec s HIS 53 N 0.21 2.10 0.02 5.22 3.76 -0.35 -1.73 115.29 124.51 2jec s HIS 53 Ca -0.11 -1.00 0.06 0.00 -0.15 0.00 0.00 55.06 53.87 2jec s HIS 53 Cb -0.15 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.03 2jec s HIS 53 CO 0.05 -0.50 -0.19 0.42 -0.85 0.00 0.00 174.74 173.67 2jec s ILE 54 N 0.95 1.50 0.11 0.60 1.01 0.85 -1.36 121.20 124.86 2jec s ILE 54 Ca -0.07 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 2jec s ILE 54 Cb -0.15 -1.28 0.04 0.00 0.01 0.00 0.00 42.46 41.08 2jec s ILE 54 CO -0.01 0.28 0.41 -0.94 0.00 0.00 0.00 174.94 174.68 2jec s SER 55 N -0.82 -0.26 -0.22 3.58 1.04 -0.76 -0.82 113.70 115.44 2jec s SER 55 Ca 0.07 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 55.99 2jec s SER 55 Cb -0.08 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.61 2jec s SER 55 CO 0.01 -0.82 0.89 -0.47 0.98 0.00 0.00 173.24 173.82 2jec s TYR 56 N -3.54 -0.57 0.03 5.02 6.14 -0.61 -2.20 117.35 121.62 2jec s TYR 56 Ca 0.01 1.25 -0.01 0.00 0.64 0.00 0.00 57.07 58.96 2jec s TYR 56 Cb 0.01 0.36 -0.03 0.00 0.42 0.00 0.00 41.96 42.73 2jec s TYR 56 CO -0.10 -0.35 -0.02 0.54 0.64 0.00 0.00 175.55 176.26 2jec s ASN 57 N -0.23 0.31 0.00 4.32 4.22 -1.26 -1.16 114.94 121.14 2jec s ASN 57 Ca -0.01 -0.66 0.18 0.00 -2.14 0.00 0.00 52.86 50.23 2jec s ASN 57 Cb -0.03 0.14 0.85 0.00 1.28 0.00 0.00 41.25 43.48 2jec s ASN 57 CO -0.00 -0.41 1.56 -1.54 -2.04 0.00 0.00 177.10 174.67 2jec n SER 58 N 1.06 0.00 -0.10 3.54 3.41 0.90 -0.59 113.62 121.85 2jec n SER 58 Ca -0.20 0.25 -0.19 0.00 -0.26 0.00 0.00 58.87 58.47 2jec n SER 58 Cb 0.57 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 2jec n SER 58 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2jec h VAL 59 N 0.00 0.76 -0.08 -3.33 2.07 -1.90 -3.37 116.25 110.39 2jec h VAL 59 Ca 0.00 -1.98 -0.13 0.00 0.82 0.00 0.00 66.70 65.41 2jec h VAL 59 Cb 0.24 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2jec h VAL 59 CO 0.00 0.26 -0.54 0.00 0.02 0.00 0.00 177.57 177.31 2jec h ALA 60 N -0.58 0.94 -6.24 1.67 0.00 -1.95 -3.47 119.26 109.62 2jec h ALA 60 Ca -0.29 -0.50 -0.46 0.00 0.00 0.00 0.00 54.91 53.66 2jec h ALA 60 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2jec h ALA 60 CO -0.18 0.68 -0.79 1.63 0.00 0.00 0.00 179.25 180.60 2jec n LYS 61 N -3.92 -5.22 -3.84 0.00 5.02 0.24 -4.94 118.16 105.50 2jec n LYS 61 Ca -0.02 0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 56.58 2jec n LYS 61 Cb 0.57 -5.34 -0.16 0.00 -0.02 0.00 0.00 35.03 30.08 2jec n LYS 61 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jec s ARG 62 N -6.40 1.16 -0.23 1.97 3.52 -1.26 -1.51 118.95 116.20 2jec s ARG 62 Ca 0.41 -0.63 -0.21 0.00 -0.13 0.00 0.00 55.73 55.17 2jec s ARG 62 Cb -0.20 -2.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 2jec s ARG 62 CO 0.83 -0.57 0.65 -1.17 -0.81 0.00 0.00 175.30 174.22 2jec s LEU 63 N 1.65 4.10 0.04 -0.88 2.96 -0.16 -4.43 118.68 121.95 2jec s LEU 63 Ca -0.02 0.79 0.06 0.00 -0.22 0.00 0.00 54.13 54.74 2jec s LEU 63 Cb -0.17 -2.90 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 2jec s LEU 63 CO -0.07 -0.34 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.02 2jec s SER 64 N 1.33 1.91 0.02 3.68 0.01 -0.94 -0.61 113.70 119.11 2jec s SER 64 Ca 0.28 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.08 2jec s SER 64 Cb -0.16 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2jec s SER 64 CO 0.09 0.08 -0.04 0.00 0.41 0.00 0.00 173.24 173.78 2jec s ALA 65 N -0.80 0.25 -0.04 1.44 0.00 0.41 -1.84 121.76 121.18 2jec s ALA 65 Ca 0.04 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2jec s ALA 65 Cb -0.08 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.13 2jec s ALA 65 CO 0.01 -0.08 -0.06 0.54 0.00 0.00 0.00 175.76 176.18 2jec s VAL 66 N -1.10 0.60 -0.11 0.00 0.11 -0.46 -1.51 120.40 117.94 2jec s VAL 66 Ca -0.10 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 2jec s VAL 66 Cb -0.08 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2jec s VAL 66 CO -0.00 0.22 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.13 2jec s VAL 67 N 0.61 2.69 0.21 2.04 1.01 -0.14 -1.22 120.40 125.60 2jec s VAL 67 Ca -0.09 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2jec s VAL 67 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2jec s VAL 67 CO 0.00 0.54 0.23 -0.94 0.00 0.00 0.00 175.10 174.94 2jec s SER 68 N 0.21 0.08 -0.10 3.32 1.04 -0.50 -0.62 113.70 117.13 2jec s SER 68 Ca -0.11 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.09 2jec s SER 68 Cb -0.16 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2jec s SER 68 CO 0.06 -0.92 -0.10 -0.31 0.98 0.00 0.00 173.24 172.94 2jec s TYR 69 N -4.11 1.57 -0.33 5.02 2.02 0.04 -0.69 117.35 120.87 2jec s TYR 69 Ca 0.33 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 2jec s TYR 69 Cb 0.05 -1.23 0.00 0.00 -0.40 0.00 0.00 41.96 40.38 2jec s TYR 69 CO 0.10 -0.45 0.00 -1.13 -1.57 0.00 0.00 175.55 172.50 2jec n SER 70 N 4.52 -1.76 0.00 2.29 3.41 -1.26 0.43 113.62 121.25 2jec n SER 70 Ca -0.17 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2jec n SER 70 Cb 0.51 -1.65 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 2jec n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jec n GLY 71 N -0.52 0.67 3.36 5.00 0.00 -1.26 -5.05 105.19 107.39 2jec n GLY 71 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2jec n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jec s SER 72 N -2.14 1.61 -1.16 1.61 1.04 0.17 -4.90 113.70 109.93 2jec s SER 72 Ca 0.00 -1.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.01 2jec s SER 72 Cb 0.00 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 2jec s SER 72 CO 0.00 -0.73 0.97 -0.24 0.98 0.00 0.00 173.24 174.23 2jec n SER 73 N -0.61 -2.62 -4.79 7.02 2.88 -1.26 -0.78 113.62 113.46 2jec n SER 73 Ca -0.01 -0.62 -0.38 0.00 -1.33 0.00 0.00 58.87 56.53 2jec n SER 73 Cb 0.66 -5.06 -0.06 0.00 -0.75 0.00 0.00 64.21 59.00 2jec n SER 73 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jec s SER 74 N -4.21 7.30 -0.02 -3.46 0.01 -1.26 -4.41 113.70 107.65 2jec s SER 74 Ca 0.06 1.60 0.05 0.00 1.31 0.00 0.00 55.95 58.97 2jec s SER 74 Cb -0.01 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2jec s SER 74 CO 0.72 0.14 -0.16 -0.89 0.41 0.00 0.00 173.24 173.46 2jec s THR 75 N -1.28 1.27 0.08 1.44 2.01 0.21 -4.86 115.64 114.50 2jec s THR 75 Ca 0.39 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.75 2jec s THR 75 Cb -0.21 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2jec s THR 75 CO 0.25 0.36 -0.12 0.42 -0.69 0.00 0.00 174.62 174.84 2jec s THR 76 N -0.30 0.96 -0.10 -0.82 -4.23 -1.26 -0.97 115.64 108.91 2jec s THR 76 Ca 0.05 -1.37 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 2jec s THR 76 Cb -0.07 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.72 2jec s THR 76 CO -0.00 -0.36 0.27 0.54 -0.54 0.00 0.00 174.62 174.53 2jec s VAL 77 N -1.66 -0.01 0.08 2.29 0.11 -0.57 -4.68 120.40 115.96 2jec s VAL 77 Ca -0.01 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2jec s VAL 77 Cb -0.08 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2jec s VAL 77 CO 0.01 0.01 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.27 2jec s SER 78 N 0.39 1.16 -0.15 3.54 0.01 -1.26 -0.45 113.70 116.95 2jec s SER 78 Ca -0.02 -0.78 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 2jec s SER 78 Cb -0.04 0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.29 2jec s SER 78 CO -0.02 -0.30 0.34 -0.47 0.41 0.00 0.00 173.24 173.21 2jec s TYR 79 N -2.40 -0.50 -0.31 2.43 5.04 0.22 -4.86 117.35 116.96 2jec s TYR 79 Ca 0.02 1.10 -0.27 0.00 -2.44 0.00 0.00 57.07 55.48 2jec s TYR 79 Cb -0.03 0.17 0.01 0.00 0.35 0.00 0.00 41.96 42.46 2jec s TYR 79 CO -0.01 -0.31 0.96 -0.51 -1.34 0.00 0.00 175.55 174.34 2jec s ASP 80 N 1.49 6.83 -0.25 4.32 1.01 -1.26 -0.99 116.67 127.82 2jec s ASP 80 Ca -0.08 0.90 -0.25 0.00 0.71 0.00 0.00 52.55 53.83 2jec s ASP 80 Cb -0.10 -2.49 0.07 0.00 1.01 0.00 0.00 42.92 41.41 2jec s ASP 80 CO -0.11 -0.77 0.71 0.54 0.21 0.00 0.00 175.17 175.74 2jec s VAL 81 N 3.37 0.00 -0.58 -1.27 0.11 -0.57 -5.01 120.40 116.45 2jec s VAL 81 Ca 0.40 -0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.25 2jec s VAL 81 Cb -0.13 -0.99 0.09 0.00 -1.53 0.00 0.00 36.38 33.82 2jec s VAL 81 CO 0.14 -0.00 0.74 -0.62 -3.33 0.00 0.00 175.10 172.03 2jec s ASP 82 N 0.26 6.19 0.58 3.54 -1.08 -1.26 -4.32 116.67 120.59 2jec s ASP 82 Ca -0.01 -1.23 0.35 0.00 -0.52 0.00 0.00 52.55 51.14 2jec s ASP 82 Cb -0.05 -2.32 1.77 0.00 -1.46 0.00 0.00 42.92 40.86 2jec s ASP 82 CO 0.02 -1.13 2.16 -0.07 0.52 0.00 0.00 175.17 176.67 2jec h LEU 83 N 10.17 0.00 -2.13 -1.34 3.38 -1.97 -2.07 115.31 121.35 2jec h LEU 83 Ca -0.29 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.76 2jec h LEU 83 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2jec h LEU 83 CO 1.09 0.05 0.24 0.78 0.09 0.00 0.00 178.44 180.69 2jec h ASN 84 N 0.00 0.00 -0.27 -0.43 -0.26 -1.92 -0.29 115.58 112.41 2jec h ASN 84 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2jec h ASN 84 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2jec h ASN 84 CO 0.01 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.97 2jec n ASN 85 N -3.99 3.02 -0.01 5.81 3.02 -0.78 -4.50 115.26 117.83 2jec n ASN 85 Ca 0.03 -1.93 -0.03 0.00 -0.03 0.00 0.00 54.58 52.61 2jec n ASN 85 Cb 0.39 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2jec n ASN 85 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jec n VAL 86 N 1.24 0.39 -3.95 2.41 0.31 -0.69 -5.09 118.33 112.95 2jec n VAL 86 Ca 0.18 0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.27 2jec n VAL 86 Cb 0.55 -1.57 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 2jec n VAL 86 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2jec s LEU 87 N -6.36 4.31 0.94 7.52 1.43 -0.20 -4.97 118.68 121.35 2jec s LEU 87 Ca -0.05 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 2jec s LEU 87 Cb 0.02 -2.88 0.16 0.00 0.03 0.00 0.00 46.19 43.51 2jec s LEU 87 CO 0.06 0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 2jec s PRO 88 N -3.23 0.86 0.37 1.29 0.04 -1.26 -4.75 135.00 128.31 2jec s PRO 88 Ca 0.34 0.84 0.06 0.00 0.04 0.00 0.00 61.00 62.29 2jec s PRO 88 Cb -0.11 -1.76 0.71 0.00 0.04 0.00 0.00 34.50 33.38 2jec s PRO 88 CO 0.28 -2.52 1.94 0.93 0.04 0.00 0.00 177.00 177.67 2jec h GLU 89 N -1.75 0.49 -5.85 4.56 5.08 -1.94 -3.41 114.58 111.75 2jec h GLU 89 Ca -0.51 -0.08 -0.67 0.00 -1.00 0.00 0.00 59.36 57.10 2jec h GLU 89 Cb 1.29 -0.08 -0.24 0.00 0.50 0.00 0.00 28.75 30.22 2jec h GLU 89 CO 0.53 0.46 -0.75 -1.58 -1.00 0.00 0.00 179.01 176.68 2jec s TRP 90 N -5.10 2.81 0.25 4.33 0.52 -1.26 -1.10 118.94 119.39 2jec s TRP 90 Ca -0.07 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.76 2jec s TRP 90 Cb 0.16 -1.75 -0.05 0.00 -1.15 0.00 0.00 33.47 30.68 2jec s TRP 90 CO 0.75 0.05 0.06 0.14 0.02 0.00 0.00 176.95 177.97 2jec s VAL 91 N -0.27 0.72 0.15 4.03 -7.23 -0.67 -4.26 120.40 112.87 2jec s VAL 91 Ca 0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 2jec s VAL 91 Cb -0.13 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2jec s VAL 91 CO 0.03 -0.13 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.53 2jec s ARG 92 N -3.97 2.34 0.05 4.82 0.52 0.04 -0.56 118.95 122.19 2jec s ARG 92 Ca 0.34 -1.06 0.07 0.00 -0.52 0.00 0.00 55.73 54.56 2jec s ARG 92 Cb 0.07 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.15 2jec s ARG 92 CO 0.11 0.48 -0.15 0.14 0.02 0.00 0.00 175.30 175.90 2jec s VAL 93 N -1.55 3.01 0.34 3.52 -7.23 -1.26 -1.05 120.40 116.17 2jec s VAL 93 Ca 0.26 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 59.11 2jec s VAL 93 Cb -0.10 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 34.57 2jec s VAL 93 CO 0.17 0.30 0.72 -0.83 -0.31 0.00 0.00 175.10 175.14 2jec s GLY 94 N -1.59 0.32 0.02 2.32 0.00 0.05 -1.59 107.32 106.85 2jec s GLY 94 Ca 0.16 -0.68 0.09 0.00 0.00 0.00 0.00 44.72 44.29 2jec s GLY 94 CO 0.07 -0.32 -0.25 1.08 0.00 0.00 0.00 173.10 173.68 2jec s LEU 95 N -3.03 2.13 0.19 0.66 1.43 -0.23 -1.33 118.68 118.50 2jec s LEU 95 Ca 0.16 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 2jec s LEU 95 Cb -0.05 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 2jec s LEU 95 CO 0.10 0.26 -0.04 -0.94 0.23 0.00 0.00 176.35 175.97 2jec s SER 96 N -1.02 1.73 -0.10 2.29 1.04 -0.48 -0.94 113.70 116.22 2jec s SER 96 Ca 0.11 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 2jec s SER 96 Cb -0.10 0.02 0.10 0.00 0.10 0.00 0.00 66.02 66.14 2jec s SER 96 CO 0.01 -0.45 0.87 0.00 0.98 0.00 0.00 173.24 174.66 2jec s ALA 97 N -3.41 -1.86 0.06 5.32 0.00 -0.53 -0.44 121.76 120.89 2jec s ALA 97 Ca 0.23 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 2jec s ALA 97 Cb 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2jec s ALA 97 CO 0.05 -0.37 -0.04 0.95 0.00 0.00 0.00 175.76 176.35 2jec s THR 98 N -1.34 0.33 0.30 0.00 -4.23 -1.08 -1.74 115.64 107.89 2jec s THR 98 Ca -0.04 -1.83 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 2jec s THR 98 Cb -0.00 -1.55 -0.06 0.00 1.34 0.00 0.00 72.50 72.23 2jec s THR 98 CO 0.03 -0.97 0.03 0.42 -0.54 0.00 0.00 174.62 173.59 2jec s THR 99 N -3.84 1.26 0.00 3.99 -4.23 -0.53 -0.75 115.64 111.54 2jec s THR 99 Ca 0.08 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2jec s THR 99 Cb 0.07 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2jec s THR 99 CO -0.09 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2jec n GLY 100 N -0.63 4.63 0.26 3.99 0.00 -1.26 -3.00 105.19 109.18 2jec n GLY 100 Ca -0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 2jec n GLY 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jec h LEU 101 N 0.00 0.77-10.35 0.99 5.85 -1.98 0.89 115.31 111.49 2jec h LEU 101 Ca 0.00 -0.07 -0.44 0.00 0.84 0.00 0.00 57.88 58.21 2jec h LEU 101 Cb 0.00 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.84 2jec h LEU 101 CO 0.00 0.62 -0.31 -0.31 -0.34 0.00 0.00 178.44 178.10 2jec s TYR 102 N -5.93 3.05 0.14 1.25 2.02 -1.26 -4.90 117.35 111.72 2jec s TYR 102 Ca -0.13 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.20 2jec s TYR 102 Cb 0.13 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 2jec s TYR 102 CO 0.77 -0.13 0.36 -1.59 -1.57 0.00 0.00 175.55 173.40 2jec s LYS 103 N -4.24 1.10 0.01 -0.62 -2.85 -1.24 -4.33 119.74 107.57 2jec s LYS 103 Ca 0.47 -0.86 -0.28 0.00 -1.00 0.00 0.00 55.97 54.31 2jec s LYS 103 Cb -0.10 0.44 0.10 0.00 -2.06 0.00 0.00 37.83 36.21 2jec s LYS 103 CO 0.32 -0.42 0.85 -1.83 0.10 0.00 0.00 175.35 174.37 2jec s GLU 104 N -3.85 0.88 0.23 1.78 -1.05 -1.11 -3.50 118.70 112.07 2jec s GLU 104 Ca 0.07 -0.32 -0.30 0.00 -0.15 0.00 0.00 54.97 54.27 2jec s GLU 104 Cb 0.02 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 34.03 2jec s GLU 104 CO -0.08 -0.38 1.20 0.95 0.95 0.00 0.00 175.26 177.89 2jec s THR 105 N -3.20 3.40 -0.73 1.83 -4.23 -0.04 -4.73 115.64 107.95 2jec s THR 105 Ca 0.05 1.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.84 2jec s THR 105 Cb -0.01 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.34 2jec s THR 105 CO -0.09 0.24 1.10 0.59 -0.54 0.00 0.00 174.62 175.91 2jec n ASN 106 N 1.96 5.00 -4.68 3.99 4.13 -1.26 -3.82 115.26 120.56 2jec n ASN 106 Ca 0.03 -3.59 -0.41 0.00 1.68 0.00 0.00 54.58 52.29 2jec n ASN 106 Cb 0.44 -0.77 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 2jec n ASN 106 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2jec s THR 107 N -3.72 4.96 -0.24 3.41 2.01 -1.03 -2.27 115.64 118.77 2jec s THR 107 Ca 0.43 1.48 -0.08 0.00 0.31 0.00 0.00 61.69 63.83 2jec s THR 107 Cb 0.20 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 2jec s THR 107 CO -0.07 0.11 0.09 -0.63 -0.69 0.00 0.00 174.62 173.42 2jec s ILE 108 N 1.69 4.57 -0.08 1.82 -1.09 0.50 0.16 121.20 128.77 2jec s ILE 108 Ca 0.36 -0.09 0.22 0.00 -2.23 0.00 0.00 60.65 58.91 2jec s ILE 108 Cb -0.17 -3.12 -0.28 0.00 -1.58 0.00 0.00 42.46 37.31 2jec s ILE 108 CO 0.14 0.35 0.54 0.18 -1.23 0.00 0.00 174.94 174.92 2jec n LEU 109 N 4.62 0.15 -3.46 2.97 4.32 -0.46 -1.14 117.00 124.00 2jec n LEU 109 Ca -0.16 0.06 -0.11 0.00 -0.02 0.00 0.00 56.01 55.78 2jec n LEU 109 Cb 0.52 0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.33 2jec n LEU 109 CO 0.32 0.02 0.43 -0.94 -1.22 0.00 0.00 177.39 176.00 2jec s SER 110 N -4.76 -0.52 -0.27 -1.43 1.04 -1.23 -4.40 113.70 102.12 2jec s SER 110 Ca -0.07 -0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 2jec s SER 110 Cb 0.13 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.92 2jec s SER 110 CO 0.88 -0.97 0.67 0.86 0.98 0.00 0.00 173.24 175.66 2jec s TRP 111 N -3.70 -1.06 0.09 5.02 -0.00 -0.00 -2.30 118.94 116.99 2jec s TRP 111 Ca 0.02 2.10 0.01 0.00 -0.00 0.00 0.00 56.10 58.23 2jec s TRP 111 Cb -0.01 0.63 -0.04 0.00 -0.00 0.00 0.00 33.47 34.04 2jec s TRP 111 CO -0.11 -0.53 -0.06 -1.54 -0.00 0.00 0.00 176.95 174.71 2jec s SER 112 N 1.71 1.05 -0.25 5.86 1.04 0.15 -0.05 113.70 123.22 2jec s SER 112 Ca -0.10 -0.98 -0.22 0.00 0.48 0.00 0.00 55.95 55.13 2jec s SER 112 Cb -0.06 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.23 2jec s SER 112 CO -0.19 -0.47 0.65 0.12 0.98 0.00 0.00 173.24 174.33 2jec s PHE 113 N -3.54 -0.73 -0.02 5.02 5.36 -0.52 -1.81 117.98 121.74 2jec s PHE 113 Ca 0.10 1.76 0.01 0.00 -0.96 0.00 0.00 56.93 57.84 2jec s PHE 113 Cb 0.05 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 2jec s PHE 113 CO -0.05 -0.35 -0.04 0.99 -1.46 0.00 0.00 175.22 174.31 2jec s THR 114 N 0.41 0.40 0.02 0.12 2.01 -0.01 -1.56 115.64 117.03 2jec s THR 114 Ca -0.01 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.95 2jec s THR 114 Cb -0.05 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 2jec s THR 114 CO -0.00 0.16 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.33 2jec s SER 115 N 0.52 2.55 0.02 3.53 0.15 0.54 -1.16 113.70 119.85 2jec s SER 115 Ca -0.06 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.15 2jec s SER 115 Cb -0.09 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2jec s SER 115 CO -0.00 0.21 -0.11 -0.54 1.20 0.00 0.00 173.24 174.00 2jec s LYS 116 N -0.91 0.77 -0.09 5.44 1.02 -0.27 -1.55 119.74 124.16 2jec s LYS 116 Ca 0.08 -0.57 -0.03 0.00 0.02 0.00 0.00 55.97 55.48 2jec s LYS 116 Cb -0.09 -0.73 0.04 0.00 -0.52 0.00 0.00 37.83 36.53 2jec s LYS 116 CO 0.01 0.18 0.06 -1.17 -0.92 0.00 0.00 175.35 173.51 2jec s LEU 117 N -0.81 0.32 -0.10 3.17 2.96 -0.20 -1.52 118.68 122.49 2jec s LEU 117 Ca 0.00 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2jec s LEU 117 Cb -0.06 -0.24 -0.00 0.00 0.50 0.00 0.00 46.19 46.39 2jec s LEU 117 CO 0.00 -0.27 -0.23 -0.75 -1.32 0.00 0.00 176.35 173.78 2jec s LYS 118 N 2.12 3.07 0.52 1.98 2.47 0.22 -0.55 119.74 129.56 2jec s LYS 118 Ca 0.04 -0.87 0.08 0.00 -1.56 0.00 0.00 55.97 53.66 2jec s LYS 118 Cb -0.13 -2.32 0.04 0.00 -1.46 0.00 0.00 37.83 33.96 2jec s LYS 118 CO -0.05 0.18 0.58 0.95 0.16 0.00 0.00 175.35 177.17 2jec s THR 119 N 0.35 2.23 0.26 3.43 -4.23 -1.26 0.21 115.64 116.62 2jec s THR 119 Ca -0.18 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 2jec s THR 119 Cb -0.18 -2.42 0.25 0.00 1.34 0.00 0.00 72.50 71.49 2jec s THR 119 CO 0.09 0.00 1.73 0.78 -0.54 0.00 0.00 174.62 176.67 2jec h ASN 120 N 0.55 0.35 -2.41 3.99 2.35 -1.85 -3.42 115.58 115.14 2jec h ASN 120 Ca -0.35 0.12 -0.50 0.00 -0.55 0.00 0.00 56.30 55.01 2jec h ASN 120 Cb 1.29 0.09 0.23 0.00 0.05 0.00 0.00 38.32 39.98 2jec h ASN 120 CO 0.49 0.10 -1.33 -0.24 -1.65 0.00 0.00 177.43 174.80 2jec n SER 121 N -4.99 -3.07 0.30 5.81 2.88 -1.26 -4.86 113.62 108.44 2jec n SER 121 Ca 0.17 0.10 0.16 0.00 -1.33 0.00 0.00 58.87 57.98 2jec n SER 121 Cb 0.50 -0.93 0.95 0.00 -0.75 0.00 0.00 64.21 63.98 2jec n SER 121 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2jec h ILE 122 N -1.53 0.46 -1.56 2.46 3.07 -2.06 -3.44 117.51 114.91 2jec h ILE 122 Ca -0.46 -0.01 -0.71 0.00 1.55 0.00 0.00 64.86 65.23 2jec h ILE 122 Cb 1.33 1.00 0.05 0.00 -0.27 0.00 0.00 36.82 38.93 2jec h ILE 122 CO 0.31 0.00 0.49 0.00 -1.05 0.00 0.00 178.15 177.91 2jec n ALA 123 N -2.29 -1.15 -1.78 0.16 0.00 -1.26 -4.94 120.51 109.24 2jec n ALA 123 Ca -0.03 0.50 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 2jec n ALA 123 Cb 0.08 -2.06 0.01 0.00 0.00 0.00 0.00 19.45 17.48 2jec n ALA 123 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jec s ASP 124 N 1.03 6.06 0.06 0.00 3.84 -1.26 -4.69 116.67 121.71 2jec s ASP 124 Ca 0.88 1.51 -0.22 0.00 -0.00 0.00 0.00 52.55 54.72 2jec s ASP 124 Cb -1.02 -2.48 -0.12 0.00 -1.38 0.00 0.00 42.92 37.91 2jec s ASP 124 CO 0.52 -0.98 0.52 0.00 -0.00 0.00 0.00 175.17 175.22 2jec n ALA 125 N -2.65 -2.38 -1.78 2.11 0.00 -1.26 -4.94 120.51 109.61 2jec n ALA 125 Ca 0.07 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 2jec n ALA 125 Cb 0.54 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 2jec n ALA 125 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jec s ASN 126 N -0.32 6.57 0.08 0.00 -0.87 0.28 -4.87 114.94 115.81 2jec s ASN 126 Ca 0.50 2.15 -0.15 0.00 -1.57 0.00 0.00 52.86 53.80 2jec s ASN 126 Cb -0.71 -2.59 0.03 0.00 -0.02 0.00 0.00 41.25 37.95 2jec s ASN 126 CO 0.36 -0.63 0.34 -0.94 -2.57 0.00 0.00 177.10 173.67 2jec s SER 127 N -1.45 -0.16 -0.01 -1.22 1.04 -1.26 -1.04 113.70 109.61 2jec s SER 127 Ca 0.59 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 2jec s SER 127 Cb -0.25 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.30 2jec s SER 127 CO 0.31 -0.73 0.02 -0.22 0.98 0.00 0.00 173.24 173.60 2jec s LEU 128 N -2.47 1.44 -0.03 2.42 0.20 -0.59 -5.00 118.68 114.65 2jec s LEU 128 Ca -0.00 0.03 -0.01 0.00 0.69 0.00 0.00 54.13 54.84 2jec s LEU 128 Cb 0.01 -0.03 0.02 0.00 -0.43 0.00 0.00 46.19 45.77 2jec s LEU 128 CO -0.08 -0.08 0.05 -2.28 -0.29 0.00 0.00 176.35 173.68 2jec s HIS 129 N 0.64 -0.03 0.08 5.38 2.46 -1.26 -0.34 115.29 122.22 2jec s HIS 129 Ca -0.05 0.18 0.05 0.00 0.47 0.00 0.00 55.06 55.71 2jec s HIS 129 Cb -0.08 -0.13 -0.03 0.00 -0.13 0.00 0.00 32.58 32.21 2jec s HIS 129 CO -0.02 -0.08 -0.14 -0.59 -2.47 0.00 0.00 174.74 171.44 2jec s PHE 130 N 0.76 1.23 -0.05 3.88 -0.12 -0.60 -5.02 117.98 118.06 2jec s PHE 130 Ca -0.06 -0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 56.34 2jec s PHE 130 Cb -0.09 -0.69 0.03 0.00 -0.63 0.00 0.00 43.02 41.64 2jec s PHE 130 CO -0.03 0.06 0.02 0.45 -0.05 0.00 0.00 175.22 175.68 2jec s SER 131 N -1.80 1.24 -0.29 1.98 0.15 -1.26 -1.44 113.70 112.28 2jec s SER 131 Ca -0.01 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 2jec s SER 131 Cb -0.10 -0.30 0.05 0.00 -1.71 0.00 0.00 66.02 63.96 2jec s SER 131 CO 0.02 -0.20 -0.02 -0.36 1.20 0.00 0.00 173.24 173.88 2jec s PHE 132 N 1.89 3.22 -0.67 3.44 0.08 0.92 -4.94 117.98 121.92 2jec s PHE 132 Ca 0.03 -1.84 0.16 0.00 0.12 0.00 0.00 56.93 55.40 2jec s PHE 132 Cb -0.12 -2.08 -0.19 0.00 -0.57 0.00 0.00 43.02 40.06 2jec s PHE 132 CO -0.04 -0.79 0.65 0.09 -0.10 0.00 0.00 175.22 175.03 2jec n ASN 133 N 4.62 0.82 -4.02 1.36 3.02 -1.26 -0.82 115.26 118.98 2jec n ASN 133 Ca -0.14 -0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 53.55 2jec n ASN 133 Cb 0.44 1.11 -0.08 0.00 -0.61 0.00 0.00 39.78 40.64 2jec n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jec s GLN 134 N -2.63 1.01 -0.16 3.52 -2.07 -1.26 -4.70 119.66 113.37 2jec s GLN 134 Ca 0.04 -1.24 -0.01 0.00 -1.82 0.00 0.00 55.36 52.33 2jec s GLN 134 Cb 0.12 0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2jec s GLN 134 CO 0.68 -0.33 -0.12 -0.06 -1.32 0.00 0.00 175.29 174.14 2jec s PHE 135 N -3.98 2.84 0.59 9.60 0.40 0.59 -5.04 117.98 122.98 2jec s PHE 135 Ca 0.17 -0.82 -0.14 0.00 -0.60 0.00 0.00 56.93 55.54 2jec s PHE 135 Cb 0.05 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 2jec s PHE 135 CO -0.01 -0.35 1.03 -1.54 0.70 0.00 0.00 175.22 175.05 2jec s SER 136 N 0.70 6.02 0.32 1.36 1.04 -1.26 -4.44 113.70 117.45 2jec s SER 136 Ca -0.06 1.65 0.09 0.00 0.48 0.00 0.00 55.95 58.11 2jec s SER 136 Cb -0.15 -2.51 0.88 0.00 0.10 0.00 0.00 66.02 64.34 2jec s SER 136 CO 0.02 -1.00 1.73 0.06 0.98 0.00 0.00 173.24 175.02 2jec h GLN 137 N 0.25 0.56 -2.91 4.02 -0.00 -1.92 -3.25 115.11 111.85 2jec h GLN 137 Ca -0.46 -0.03 -0.61 0.00 -0.00 0.00 0.00 58.65 57.55 2jec h GLN 137 Cb 1.20 -0.13 -0.40 0.00 -0.00 0.00 0.00 27.48 28.15 2jec h GLN 137 CO 0.59 0.37 -0.72 1.21 -0.00 0.00 0.00 178.83 180.28 2jec s ASN 138 N -5.20 3.63 -1.05 0.06 3.84 -1.26 -4.83 114.94 110.13 2jec s ASN 138 Ca -0.11 -3.21 -0.23 0.00 0.21 0.00 0.00 52.86 49.52 2jec s ASN 138 Cb 0.27 -1.17 -0.00 0.00 -0.55 0.00 0.00 41.25 39.80 2jec s ASN 138 CO 0.80 -0.17 1.75 -2.16 -2.79 0.00 0.00 177.10 174.52 2jec s PRO 139 N -0.44 3.11 0.01 0.43 0.04 -1.23 -4.80 135.00 132.13 2jec s PRO 139 Ca 0.24 -0.99 0.19 0.00 0.04 0.00 0.00 61.00 60.48 2jec s PRO 139 Cb -0.11 -5.27 0.81 0.00 0.04 0.00 0.00 34.50 29.97 2jec s PRO 139 CO -0.11 -2.92 1.61 1.63 0.04 0.00 0.00 177.00 177.25 2jec n LYS 140 N 8.69 0.01 -0.38 4.56 5.02 -1.26 -1.93 118.16 132.87 2jec n LYS 140 Ca 0.40 0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.98 2jec n LYS 140 Cb 0.48 -1.52 0.30 0.00 -0.02 0.00 0.00 35.03 34.27 2jec n LYS 140 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jec n ASP 141 N -1.53 3.70 -4.31 4.39 5.68 -1.26 -4.91 116.55 118.31 2jec n ASP 141 Ca 0.04 -2.09 -0.29 0.00 -0.50 0.00 0.00 54.79 51.95 2jec n ASP 141 Cb 0.22 -0.46 -0.15 0.00 -1.14 0.00 0.00 41.12 39.59 2jec n ASP 141 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2jec s LEU 142 N -1.15 2.13 -0.48 -2.12 1.43 -0.81 -0.38 118.68 117.30 2jec s LEU 142 Ca 0.45 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 2jec s LEU 142 Cb 0.24 -1.24 0.07 0.00 0.03 0.00 0.00 46.19 45.30 2jec s LEU 142 CO 0.28 0.26 0.42 -0.63 0.23 0.00 0.00 176.35 176.91 2jec s ILE 143 N -0.74 5.20 -0.13 -0.59 1.01 0.13 -4.83 121.20 121.25 2jec s ILE 143 Ca 0.10 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 2jec s ILE 143 Cb -0.10 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2jec s ILE 143 CO 0.01 -0.61 0.59 -0.76 0.00 0.00 0.00 174.94 174.17 2jec s LEU 144 N 1.74 4.25 0.12 2.97 1.43 -1.26 -0.63 118.68 127.30 2jec s LEU 144 Ca 0.05 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.19 2jec s LEU 144 Cb -0.24 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2jec s LEU 144 CO 0.07 -0.12 -0.26 -1.10 0.23 0.00 0.00 176.35 175.17 2jec s GLN 145 N 1.08 1.37 7.77 1.70 -0.21 0.24 -4.98 119.66 126.63 2jec s GLN 145 Ca 0.30 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.39 2jec s GLN 145 Cb -0.16 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.04 2jec s GLN 145 CO 0.13 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.14 2jec n GLY 146 N 1.00 3.35 0.42 3.09 0.00 -1.26 -2.23 105.19 109.56 2jec n GLY 146 Ca -0.18 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.85 2jec n GLY 146 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jec n ASP 147 N 6.36 1.40 -4.75 1.61 8.00 0.13 -4.95 116.55 124.35 2jec n ASP 147 Ca 0.00 -1.33 -0.41 0.00 0.71 0.00 0.00 54.79 53.76 2jec n ASP 147 Cb 0.00 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2jec n ASP 147 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jec s ALA 148 N -2.15 3.56 0.13 2.24 0.00 -1.10 -4.63 121.76 119.80 2jec s ALA 148 Ca 0.34 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.44 2jec s ALA 148 Cb 0.20 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.83 2jec s ALA 148 CO 0.39 -0.68 0.34 -0.59 0.00 0.00 0.00 175.76 175.22 2jec s PHE 149 N -0.48 -0.04 -0.08 0.00 -0.71 0.04 -4.74 117.98 111.96 2jec s PHE 149 Ca 0.55 -0.31 -0.08 0.00 -1.04 0.00 0.00 56.93 56.05 2jec s PHE 149 Cb -0.40 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 2jec s PHE 149 CO 0.47 -0.68 0.19 0.95 -1.34 0.00 0.00 175.22 174.81 2jec s THR 150 N -3.84 5.43 0.36 -4.49 -4.23 -1.26 -0.09 115.64 107.52 2jec s THR 150 Ca 0.05 0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.87 2jec s THR 150 Cb 0.03 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.45 2jec s THR 150 CO -0.10 0.57 0.44 -0.90 -0.54 0.00 0.00 174.62 174.09 2jec n ASP 151 N 1.80 1.53 0.21 3.99 5.68 -0.30 -4.95 116.55 124.51 2jec n ASP 151 Ca -0.18 -2.02 0.07 0.00 -0.50 0.00 0.00 54.79 52.16 2jec n ASP 151 Cb 0.54 -0.20 0.45 0.00 -1.14 0.00 0.00 41.12 40.77 2jec n ASP 151 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2jec h SER 152 N 0.16 0.00 0.76 -1.12 4.64 -1.97 -2.46 113.55 113.55 2jec h SER 152 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2jec h SER 152 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2jec h SER 152 CO 0.27 0.30 0.00 0.47 -0.87 0.00 0.00 176.83 177.00 2jec n ASP 153 N -3.69 0.00 0.00 4.97 8.00 -1.26 -4.89 116.55 119.68 2jec n ASP 153 Ca -0.01 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2jec n ASP 153 Cb 0.41 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2jec n ASP 153 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jec n GLY 154 N 0.90 0.67 3.89 0.44 0.00 -0.93 -4.95 105.19 105.22 2jec n GLY 154 Ca 0.07 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2jec n GLY 154 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jec s ASN 155 N -2.67 6.07 -0.29 1.61 0.01 -1.26 -0.30 114.94 118.11 2jec s ASN 155 Ca 0.00 0.08 -0.14 0.00 -0.71 0.00 0.00 52.86 52.09 2jec s ASN 155 Cb 0.00 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 2jec s ASN 155 CO 0.00 0.07 0.35 -0.22 -1.51 0.00 0.00 177.10 175.78 2jec s LEU 156 N -3.12 4.15 -0.34 0.60 2.96 -0.29 -1.15 118.68 121.48 2jec s LEU 156 Ca 0.33 0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 2jec s LEU 156 Cb -0.11 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 2jec s LEU 156 CO 0.27 -0.21 0.23 -1.10 -1.32 0.00 0.00 176.35 174.22 2jec s GLN 157 N 2.02 3.39 0.28 1.98 -1.52 0.88 -0.37 119.66 126.32 2jec s GLN 157 Ca 0.13 -0.71 0.15 0.00 -1.95 0.00 0.00 55.36 52.97 2jec s GLN 157 Cb -0.16 -3.79 0.23 0.00 -0.22 0.00 0.00 33.01 29.07 2jec s GLN 157 CO 0.11 -0.48 1.52 -0.07 -0.25 0.00 0.00 175.29 176.11 2jec h LEU 158 N 8.48 0.00 -8.96 2.90 3.38 -1.71 0.14 115.31 119.54 2jec h LEU 158 Ca -0.31 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.27 2jec h LEU 158 Cb 1.15 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 2jec h LEU 158 CO 0.64 0.55 -0.63 0.42 0.09 0.00 0.00 178.44 179.51 2jec s THR 159 N -3.16 0.94 0.15 0.22 -4.23 -1.26 -2.49 115.64 105.81 2jec s THR 159 Ca 0.02 -2.02 -0.31 0.00 -1.18 0.00 0.00 61.69 58.20 2jec s THR 159 Cb 0.09 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 2jec s THR 159 CO 0.74 -0.17 1.42 -0.54 -0.54 0.00 0.00 174.62 175.53 2jec s LYS 160 N -3.92 4.30 0.03 3.99 1.02 -1.26 -4.76 119.74 119.15 2jec s LYS 160 Ca 0.33 2.16 0.06 0.00 0.02 0.00 0.00 55.97 58.53 2jec s LYS 160 Cb 0.07 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 2jec s LYS 160 CO 0.11 -0.44 -0.17 0.14 -0.92 0.00 0.00 175.35 174.08 2jec s VAL 161 N 0.82 1.32 1.09 3.17 -7.23 -1.26 -0.54 120.40 117.77 2jec s VAL 161 Ca 0.64 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.69 2jec s VAL 161 Cb -0.39 -1.15 0.23 0.00 0.56 0.00 0.00 36.38 35.64 2jec s VAL 161 CO 0.33 0.16 1.09 -0.94 -0.31 0.00 0.00 175.10 175.43 2jec s SER 162 N -0.94 1.82 0.55 4.85 1.04 0.91 -4.84 113.70 117.08 2jec s SER 162 Ca 0.05 0.99 0.23 0.00 0.48 0.00 0.00 55.95 57.69 2jec s SER 162 Cb -0.08 -1.51 1.46 0.00 0.10 0.00 0.00 66.02 65.99 2jec s SER 162 CO 0.01 -3.61 2.12 0.77 0.98 0.00 0.00 173.24 173.51 2jec h SER 163 N -2.22 0.00 0.77 7.02 4.64 -2.02 -1.32 113.55 120.42 2jec h SER 163 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2jec h SER 163 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2jec h SER 163 CO 0.49 0.00 -0.39 -1.54 -0.87 0.00 0.00 176.83 174.52 2jec n SER 164 N -4.24 0.46 0.00 4.97 3.41 -1.26 -4.97 113.62 111.99 2jec n SER 164 Ca 0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2jec n SER 164 Cb 0.27 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2jec n SER 164 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jec n GLY 165 N 1.44 1.01 3.69 5.00 0.00 -0.50 -5.08 105.19 110.76 2jec n GLY 165 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2jec n GLY 165 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jec s ASP 166 N -2.00 7.10 0.47 1.61 2.15 -1.26 -4.75 116.67 119.99 2jec s ASP 166 Ca 0.00 1.35 -0.23 0.00 0.43 0.00 0.00 52.55 54.10 2jec s ASP 166 Cb 0.00 -2.49 -0.07 0.00 -0.30 0.00 0.00 42.92 40.06 2jec s ASP 166 CO 0.00 -0.34 1.21 -2.16 -0.17 0.00 0.00 175.17 173.70 2jec s PRO 167 N 1.72 3.66 0.08 4.34 0.04 -1.26 -0.06 135.00 143.52 2jec s PRO 167 Ca 0.43 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.38 2jec s PRO 167 Cb -0.18 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2jec s PRO 167 CO 0.17 -0.66 0.05 -0.65 0.04 0.00 0.00 177.00 175.96 2jec s GLN 168 N -2.70 2.79 0.88 4.56 -1.52 0.30 -4.83 119.66 119.12 2jec s GLN 168 Ca 0.65 -0.73 -0.12 0.00 -1.95 0.00 0.00 55.36 53.21 2jec s GLN 168 Cb -0.31 -2.67 0.12 0.00 -0.22 0.00 0.00 33.01 29.92 2jec s GLN 168 CO 0.38 0.56 1.14 0.20 -0.25 0.00 0.00 175.29 177.32 2jec s GLY 169 N -2.33 1.58 -1.54 3.09 0.00 -1.26 -4.42 107.32 102.44 2jec s GLY 169 Ca 0.28 -0.52 -0.08 0.00 0.00 0.00 0.00 44.72 44.39 2jec s GLY 169 CO 0.20 0.01 0.60 0.70 0.00 0.00 0.00 173.10 174.61 2jec n ASN 170 N -3.63 -1.82 -4.67 1.64 4.13 0.31 -4.82 115.26 106.39 2jec n ASN 170 Ca 0.07 -1.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.07 2jec n ASN 170 Cb 0.59 -2.97 -0.08 0.00 -1.54 0.00 0.00 39.78 35.78 2jec n ASN 170 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jec s SER 171 N -3.86 4.77 -0.14 6.41 0.15 -1.16 -4.95 113.70 114.91 2jec s SER 171 Ca 0.35 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.46 2jec s SER 171 Cb -0.19 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2jec s SER 171 CO 0.90 0.08 0.37 0.54 1.20 0.00 0.00 173.24 176.33 2jec s VAL 172 N -1.80 -0.00 0.02 4.45 0.11 -1.26 -1.46 120.40 120.45 2jec s VAL 172 Ca 0.28 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.13 2jec s VAL 172 Cb -0.09 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2jec s VAL 172 CO 0.19 0.01 0.47 -0.83 -3.33 0.00 0.00 175.10 171.61 2jec s GLY 173 N 0.36 -0.35 0.04 6.54 0.00 -0.71 0.22 107.32 113.41 2jec s GLY 173 Ca -0.01 0.58 -0.08 0.00 0.00 0.00 0.00 44.72 45.20 2jec s GLY 173 CO -0.01 0.30 0.16 0.50 0.00 0.00 0.00 173.10 174.04 2jec s ARG 174 N -2.05 0.65 -0.06 2.90 0.52 -0.95 -1.45 118.95 118.52 2jec s ARG 174 Ca -0.08 -0.68 -0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2jec s ARG 174 Cb -0.01 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.75 2jec s ARG 174 CO 0.01 -0.18 -0.01 0.00 0.02 0.00 0.00 175.30 175.14 2jec s ALA 175 N -2.58 0.61 -0.07 2.13 0.00 -0.12 -0.59 121.76 121.15 2jec s ALA 175 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2jec s ALA 175 Cb -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2jec s ALA 175 CO -0.04 -0.26 -0.08 -0.51 0.00 0.00 0.00 175.76 174.86 2jec s LEU 176 N 1.51 3.10 0.28 0.00 1.43 0.20 -1.06 118.68 124.13 2jec s LEU 176 Ca -0.02 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 2jec s LEU 176 Cb -0.13 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.31 2jec s LEU 176 CO -0.03 0.35 1.45 0.12 0.23 0.00 0.00 176.35 178.47 2jec s PHE 177 N -0.73 2.93 0.20 0.29 5.36 -0.62 0.17 117.98 125.58 2jec s PHE 177 Ca 0.11 1.05 -0.11 0.00 -0.96 0.00 0.00 56.93 57.03 2jec s PHE 177 Cb -0.11 -3.86 0.23 0.00 -0.34 0.00 0.00 43.02 38.93 2jec s PHE 177 CO 0.01 -2.74 1.75 -0.92 -1.46 0.00 0.00 175.22 171.86 2jec h TYR 178 N 4.56 0.39 -3.38 10.12 5.03 -1.04 -3.43 116.97 129.23 2jec h TYR 178 Ca -0.47 0.03 -0.54 0.00 2.58 0.00 0.00 58.73 60.32 2jec h TYR 178 Cb 1.22 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.39 2jec h TYR 178 CO 0.58 0.13 0.41 0.00 -1.32 0.00 0.00 178.16 177.96 2jec s ALA 179 N -6.11 3.20 0.69 1.82 0.00 -1.26 -5.00 121.76 115.11 2jec s ALA 179 Ca -0.13 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 2jec s ALA 179 Cb 0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2jec s ALA 179 CO 0.74 -0.29 0.77 -2.30 0.00 0.00 0.00 175.76 174.68 2jec n PRO 180 N 4.03 0.49 -5.27 0.00 -0.02 -1.26 -4.80 135.00 128.16 2jec n PRO 180 Ca 0.07 0.21 -0.31 0.00 -2.02 0.00 0.00 63.50 61.45 2jec n PRO 180 Cb 0.50 -2.03 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 2jec n PRO 180 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jec s VAL 181 N -1.80 2.03 -0.59 -1.45 1.01 0.28 -4.95 120.40 114.93 2jec s VAL 181 Ca 0.71 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 2jec s VAL 181 Cb -0.37 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.42 2jec s VAL 181 CO 0.53 0.57 0.68 -2.28 0.00 0.00 0.00 175.10 174.60 2jec s HIS 182 N -0.40 3.02 -0.43 5.22 2.46 -1.26 -1.67 115.29 122.24 2jec s HIS 182 Ca 0.04 -0.99 0.23 0.00 0.47 0.00 0.00 55.06 54.80 2jec s HIS 182 Cb -0.12 -3.99 -0.02 0.00 -0.13 0.00 0.00 32.58 28.33 2jec s HIS 182 CO 0.01 -1.26 0.95 0.44 -2.47 0.00 0.00 174.74 172.40 2jec n ILE 183 N 5.51 0.25 -3.55 0.89 -5.35 -0.26 -4.74 119.36 112.11 2jec n ILE 183 Ca -0.10 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 61.91 2jec n ILE 183 Cb 0.42 0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 38.33 2jec n ILE 183 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2jec s TRP 184 N -3.29 -0.37 0.07 4.28 -0.11 -1.17 -4.78 118.94 113.57 2jec s TRP 184 Ca 0.01 0.19 -0.09 0.00 1.22 0.00 0.00 56.10 57.43 2jec s TRP 184 Cb 0.13 0.37 0.00 0.00 -1.50 0.00 0.00 33.47 32.47 2jec s TRP 184 CO 0.82 -0.72 0.19 -1.83 -4.62 0.00 0.00 176.95 170.78 2jec s GLU 185 N -3.36 0.77 0.32 5.86 -1.05 -1.26 -4.76 118.70 115.23 2jec s GLU 185 Ca -0.00 -0.81 0.06 0.00 -0.15 0.00 0.00 54.97 54.07 2jec s GLU 185 Cb 0.00 0.32 0.72 0.00 -0.44 0.00 0.00 34.13 34.73 2jec s GLU 185 CO -0.09 -0.24 1.84 1.57 0.95 0.00 0.00 175.26 179.29 2jec h LYS 186 N 3.07 0.78 0.00 -4.83 2.10 -2.03 -1.70 116.57 113.96 2jec h LYS 186 Ca -0.33 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2jec h LYS 186 Cb 1.20 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2jec h LYS 186 CO 0.53 0.52 0.00 -1.13 -2.00 0.00 0.00 179.45 177.36 2jec n SER 187 N -4.61 0.00 -4.77 7.07 3.41 -1.26 -4.95 113.62 108.51 2jec n SER 187 Ca 0.19 -1.19 -0.39 0.00 -0.26 0.00 0.00 58.87 57.21 2jec n SER 187 Cb 0.45 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 2jec n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jec s ALA 188 N -2.00 3.26 -0.23 7.33 0.00 -0.64 -2.85 121.76 126.63 2jec s ALA 188 Ca 0.34 1.13 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 2jec s ALA 188 Cb 0.16 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 2jec s ALA 188 CO 0.26 -0.66 -0.13 0.28 0.00 0.00 0.00 175.76 175.51 2jec n VAL 189 N 0.26 1.52 -3.85 0.00 0.31 0.56 -4.83 118.33 112.31 2jec n VAL 189 Ca 0.03 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.09 2jec n VAL 189 Cb 0.44 -2.02 -0.12 0.00 -0.91 0.00 0.00 33.84 31.23 2jec n VAL 189 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jec s VAL 190 N -2.47 0.03 -0.01 2.52 0.11 -0.97 -4.89 120.40 114.73 2jec s VAL 190 Ca -0.32 -0.25 0.06 0.00 -2.93 0.00 0.00 61.98 58.53 2jec s VAL 190 Cb 0.10 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2jec s VAL 190 CO 0.50 -0.14 -0.18 0.00 -3.33 0.00 0.00 175.10 171.95 2jec s ALA 191 N -0.44 1.49 0.03 1.54 0.00 -1.26 -0.61 121.76 122.52 2jec s ALA 191 Ca -0.05 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2jec s ALA 191 Cb -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 2jec s ALA 191 CO 0.00 0.36 0.10 -1.54 0.00 0.00 0.00 175.76 174.69 2jec s SER 192 N -0.48 0.15 0.01 0.00 1.04 -0.58 -0.07 113.70 113.78 2jec s SER 192 Ca 0.07 -0.48 -0.07 0.00 0.48 0.00 0.00 55.95 55.95 2jec s SER 192 Cb -0.07 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2jec s SER 192 CO -0.01 -0.48 0.14 0.72 0.98 0.00 0.00 173.24 174.59 2jec s PHE 193 N -2.38 0.06 0.02 5.02 -0.12 -0.31 -1.11 117.98 119.16 2jec s PHE 193 Ca -0.07 -0.17 0.03 0.00 -0.05 0.00 0.00 56.93 56.67 2jec s PHE 193 Cb -0.02 -0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.29 2jec s PHE 193 CO -0.03 -0.30 -0.10 0.16 -0.05 0.00 0.00 175.22 174.89 2jec s ASP 194 N -1.48 1.22 -0.00 1.98 1.47 -0.31 -1.58 116.67 117.97 2jec s ASP 194 Ca -0.14 -0.35 0.03 0.00 1.18 0.00 0.00 52.55 53.27 2jec s ASP 194 Cb -0.07 -0.08 -0.01 0.00 -0.34 0.00 0.00 42.92 42.43 2jec s ASP 194 CO 0.01 0.01 -0.09 0.00 0.68 0.00 0.00 175.17 175.78 2jec s ALA 195 N -0.70 0.78 -0.01 2.11 0.00 0.00 -0.82 121.76 123.13 2jec s ALA 195 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2jec s ALA 195 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 2jec s ALA 195 CO 0.00 0.19 -0.13 0.99 0.00 0.00 0.00 175.76 176.81 2jec s THR 196 N -0.27 1.05 0.04 0.00 2.01 -0.75 -0.10 115.64 117.63 2jec s THR 196 Ca 0.03 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 2jec s THR 196 Cb -0.04 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 2jec s THR 196 CO -0.00 0.27 0.09 0.72 -0.69 0.00 0.00 174.62 175.00 2jec s PHE 197 N -0.36 0.22 0.05 4.92 -0.12 -0.70 -0.67 117.98 121.32 2jec s PHE 197 Ca 0.05 -0.54 0.06 0.00 -0.05 0.00 0.00 56.93 56.44 2jec s PHE 197 Cb -0.05 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 2jec s PHE 197 CO -0.00 -0.36 -0.12 0.95 -0.05 0.00 0.00 175.22 175.64 2jec s THR 198 N -2.68 3.27 0.12 -4.49 -4.23 -0.97 -0.35 115.64 106.31 2jec s THR 198 Ca -0.04 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.36 2jec s THR 198 Cb -0.01 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 2jec s THR 198 CO -0.05 0.27 0.06 0.72 -0.54 0.00 0.00 174.62 175.09 2jec s PHE 199 N -1.06 0.75 -0.23 3.99 -0.71 -0.50 -1.35 117.98 118.87 2jec s PHE 199 Ca 0.18 -1.15 -0.03 0.00 -1.04 0.00 0.00 56.93 54.88 2jec s PHE 199 Cb -0.11 -0.42 0.10 0.00 -1.21 0.00 0.00 43.02 41.38 2jec s PHE 199 CO 0.09 -0.51 0.21 -1.17 -1.34 0.00 0.00 175.22 172.50 2jec s LEU 200 N -3.02 -0.00 -0.27 -1.99 2.96 0.12 -1.70 118.68 114.78 2jec s LEU 200 Ca 0.20 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 2jec s LEU 200 Cb 0.07 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.99 2jec s LEU 200 CO -0.01 -0.36 0.09 -0.63 -1.32 0.00 0.00 176.35 174.13 2jec s ILE 201 N 2.29 4.38 0.18 6.68 1.01 -1.26 -2.47 121.20 132.01 2jec s ILE 201 Ca 0.07 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.53 2jec s ILE 201 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2jec s ILE 201 CO -0.20 0.24 -0.18 -0.54 0.00 0.00 0.00 174.94 174.26 2jec s LYS 202 N 1.61 1.33 -0.29 2.79 1.02 -1.25 -0.65 119.74 124.31 2jec s LYS 202 Ca 0.06 -1.47 -0.14 0.00 0.02 0.00 0.00 55.97 54.43 2jec s LYS 202 Cb -0.16 -1.38 0.11 0.00 -0.52 0.00 0.00 37.83 35.88 2jec s LYS 202 CO 0.04 0.27 0.73 0.45 -0.92 0.00 0.00 175.35 175.92 2jec s SER 203 N -2.83 -0.93 0.25 2.83 0.15 -1.26 -0.86 113.70 111.05 2jec s SER 203 Ca 0.18 1.42 0.23 0.00 0.70 0.00 0.00 55.95 58.48 2jec s SER 203 Cb -0.05 1.62 0.98 0.00 -1.71 0.00 0.00 66.02 66.86 2jec s SER 203 CO 0.08 -0.21 1.70 -2.65 1.20 0.00 0.00 173.24 173.35 2jec n PRO 204 N 4.57 0.19 -2.35 5.44 -0.02 -1.26 -4.84 135.00 136.73 2jec n PRO 204 Ca -0.17 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 2jec n PRO 204 Cb 0.56 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.16 2jec n PRO 204 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jec s ASP 205 N -4.20 5.94 0.25 2.55 1.01 -1.26 -4.94 116.67 116.02 2jec s ASP 205 Ca 0.04 2.07 0.08 0.00 0.71 0.00 0.00 52.55 55.46 2jec s ASP 205 Cb 0.09 -2.57 0.30 0.00 1.01 0.00 0.00 42.92 41.75 2jec s ASP 205 CO 0.38 -1.07 1.58 0.08 0.21 0.00 0.00 175.17 176.36 2jec h ARG 206 N 1.29 0.07 -4.59 8.23 0.11 -1.96 -3.37 114.38 114.16 2jec h ARG 206 Ca -0.50 -0.05 -0.67 0.00 0.10 0.00 0.00 59.98 58.86 2jec h ARG 206 Cb 1.25 0.01 -0.38 0.00 1.11 0.00 0.00 29.97 31.96 2jec h ARG 206 CO 0.58 0.68 -0.64 -1.21 0.10 0.00 0.00 179.97 179.47 2jec s GLU 207 N -3.61 1.71 0.85 0.08 0.41 -1.26 -5.12 118.70 111.77 2jec s GLU 207 Ca -0.02 -1.87 -0.11 0.00 -0.41 0.00 0.00 54.97 52.57 2jec s GLU 207 Cb 0.12 -3.37 0.11 0.00 -1.78 0.00 0.00 34.13 29.21 2jec s GLU 207 CO 0.78 -1.00 1.14 -1.25 -0.49 0.00 0.00 175.26 174.43 2jec s PRO 208 N 0.99 1.51 0.09 0.39 0.04 -1.26 -4.24 135.00 132.52 2jec s PRO 208 Ca 0.10 1.46 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 2jec s PRO 208 Cb -0.21 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.62 2jec s PRO 208 CO -0.06 -2.25 0.67 0.00 0.04 0.00 0.00 177.00 175.40 2jec s ALA 209 N -2.66 -1.67 -0.06 8.56 0.00 -1.23 -4.32 121.76 120.38 2jec s ALA 209 Ca 0.66 0.74 0.08 0.00 0.00 0.00 0.00 51.96 53.43 2jec s ALA 209 Cb -0.22 0.62 -0.11 0.00 0.00 0.00 0.00 23.12 23.41 2jec s ALA 209 CO 0.56 -0.68 0.08 -0.25 0.00 0.00 0.00 175.76 175.47 2jec n ASP 210 N -0.11 2.99 0.00 0.00 8.00 0.07 -2.74 116.55 124.76 2jec n ASP 210 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2jec n ASP 210 Cb 0.63 0.93 0.00 0.00 -0.02 0.00 0.00 41.12 42.66 2jec n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jec n GLY 211 N 2.34 -0.02 3.02 0.44 0.00 -1.21 -2.07 105.19 107.69 2jec n GLY 211 Ca -0.10 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 2jec n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jec s ILE 212 N -2.02 0.43 0.10 -0.61 1.01 -0.70 -2.63 121.20 116.77 2jec s ILE 212 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.84 2jec s ILE 212 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2jec s ILE 212 CO 0.00 -0.29 -0.09 0.42 0.00 0.00 0.00 174.94 174.99 2jec s THR 213 N -1.08 0.84 -0.12 2.92 -4.23 0.41 -0.40 115.64 113.98 2jec s THR 213 Ca -0.08 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2jec s THR 213 Cb -0.08 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 2jec s THR 213 CO 0.00 -0.66 0.00 0.12 -0.54 0.00 0.00 174.62 173.54 2jec s PHE 214 N -2.79 3.15 0.06 3.99 5.36 -0.77 -1.38 117.98 125.59 2jec s PHE 214 Ca 0.07 0.06 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 2jec s PHE 214 Cb -0.01 -1.88 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2jec s PHE 214 CO -0.01 0.30 0.05 -0.59 -1.46 0.00 0.00 175.22 173.51 2jec s PHE 215 N -0.39 0.36 -0.08 10.12 -0.71 -0.45 -0.80 117.98 126.03 2jec s PHE 215 Ca 0.07 -0.84 0.01 0.00 -1.04 0.00 0.00 56.93 55.14 2jec s PHE 215 Cb -0.12 -0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.45 2jec s PHE 215 CO 0.02 -0.42 -0.10 0.42 -1.34 0.00 0.00 175.22 173.79 2jec s ILE 216 N -3.69 1.09 0.20 -4.49 1.01 0.71 -0.77 121.20 115.25 2jec s ILE 216 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 2jec s ILE 216 Cb 0.06 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2jec s ILE 216 CO -0.09 0.36 0.16 0.00 0.00 0.00 0.00 174.94 175.36 2jec s ALA 217 N 1.04 0.98 0.32 9.38 0.00 -0.22 -1.48 121.76 131.78 2jec s ALA 217 Ca -0.07 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.04 2jec s ALA 217 Cb -0.15 1.30 -0.14 0.00 0.00 0.00 0.00 23.12 24.14 2jec s ALA 217 CO -0.01 -0.61 0.91 0.27 0.00 0.00 0.00 175.76 176.32 2jec n ASN 218 N -0.26 0.80 -0.12 0.00 6.94 -1.20 -0.78 115.26 120.63 2jec n ASN 218 Ca 0.01 1.12 0.16 0.00 -0.02 0.00 0.00 54.58 55.84 2jec n ASN 218 Cb 0.65 -1.25 0.54 0.00 -2.36 0.00 0.00 39.78 37.36 2jec n ASN 218 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2jec h THR 219 N 1.68 0.80 -0.32 5.53 1.35 -1.83 -0.90 112.91 119.22 2jec h THR 219 Ca -0.39 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2jec h THR 219 Cb 1.36 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2jec h THR 219 CO 0.58 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 2jec n ASP 220 N -4.46 3.16 -4.62 5.36 5.75 -1.26 -4.66 116.55 115.82 2jec n ASP 220 Ca 0.13 -2.37 -0.42 0.00 -0.01 0.00 0.00 54.79 52.11 2jec n ASP 220 Cb 0.52 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2jec n ASP 220 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2jec n THR 221 N 0.40 2.26 -4.05 2.12 5.66 -0.34 -5.03 114.28 115.30 2jec n THR 221 Ca 0.14 -0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 60.57 2jec n THR 221 Cb 0.65 -1.18 -0.10 0.00 -1.55 0.00 0.00 70.33 68.16 2jec n THR 221 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2jec s SER 222 N -0.63 0.41 -0.11 1.09 1.04 -1.26 -5.10 113.70 109.14 2jec s SER 222 Ca 0.61 -0.91 -0.31 0.00 0.48 0.00 0.00 55.95 55.82 2jec s SER 222 Cb -0.59 0.22 -0.09 0.00 0.10 0.00 0.00 66.02 65.66 2jec s SER 222 CO 0.58 -0.60 2.06 -0.38 0.98 0.00 0.00 173.24 175.88 2jec n ILE 223 N 0.19 0.55 -1.97 -1.02 5.41 -1.26 -4.93 119.36 116.33 2jec n ILE 223 Ca -0.15 -0.25 -0.38 0.00 1.00 0.00 0.00 62.75 62.98 2jec n ILE 223 Cb 0.61 -2.25 0.02 0.00 -0.71 0.00 0.00 39.64 37.31 2jec n ILE 223 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2jec s PRO 224 N 5.15 3.39 0.33 0.38 0.02 -1.26 -4.96 135.00 138.03 2jec s PRO 224 Ca 0.95 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 63.74 2jec s PRO 224 Cb -0.50 -2.32 -0.11 0.00 0.02 0.00 0.00 34.50 31.59 2jec s PRO 224 CO 0.43 -0.94 1.55 0.45 -0.33 0.00 0.00 177.00 178.16 2jec n SER 225 N -0.81 3.81 -0.54 2.53 2.88 -1.26 -2.60 113.62 117.63 2jec n SER 225 Ca 0.09 1.18 -0.07 0.00 -1.33 0.00 0.00 58.87 58.74 2jec n SER 225 Cb 0.46 -1.60 -0.03 0.00 -0.75 0.00 0.00 64.21 62.29 2jec n SER 225 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jec n GLY 226 N 1.50 0.93 1.12 0.46 0.00 -1.26 -4.63 105.19 103.31 2jec n GLY 226 Ca 0.06 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.46 2jec n GLY 226 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jec n SER 227 N 0.82 3.26 -4.37 1.61 3.41 -1.07 -4.74 113.62 112.54 2jec n SER 227 Ca -0.07 -2.04 -0.29 0.00 -0.26 0.00 0.00 58.87 56.22 2jec n SER 227 Cb 0.24 -0.41 0.24 0.00 -0.26 0.00 0.00 64.21 64.01 2jec n SER 227 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jec s GLY 228 N -0.98 1.53 0.00 5.00 0.00 -1.26 -0.91 107.32 110.70 2jec s GLY 228 Ca 0.40 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2jec s GLY 228 CO 0.26 0.37 0.00 0.61 0.00 0.00 0.00 173.10 174.35 2jec n GLY 229 N 0.18 3.44 0.34 0.20 0.00 -1.22 -2.06 105.19 106.07 2jec n GLY 229 Ca 0.05 0.23 0.22 0.00 0.00 0.00 0.00 46.02 46.52 2jec n GLY 229 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jec h ARG 230 N 0.00 0.00 -0.10 1.61 0.11 -1.91 -1.87 114.38 112.23 2jec h ARG 230 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2jec h ARG 230 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2jec h ARG 230 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 2jec n LEU 231 N -3.06 2.04 -1.52 0.08 4.77 -0.87 -4.96 117.00 113.49 2jec n LEU 231 Ca -0.03 -0.76 -0.19 0.00 -0.03 0.00 0.00 56.01 55.01 2jec n LEU 231 Cb 0.12 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2jec n LEU 231 CO 0.19 0.38 -0.19 0.18 -1.33 0.00 0.00 177.39 176.62 2jec n LEU 232 N 0.58 -1.42 -0.08 2.23 4.77 -0.70 -1.41 117.00 120.97 2jec n LEU 232 Ca 0.17 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 2jec n LEU 232 Cb 0.42 -2.61 -0.00 0.00 -2.33 0.00 0.00 43.42 38.89 2jec n LEU 232 CO 0.15 -0.87 -0.01 0.61 -1.33 0.00 0.00 177.39 175.95 2jec n GLY 233 N -0.74 0.46 0.03 -0.72 0.00 -0.09 -4.05 105.19 100.08 2jec n GLY 233 Ca -0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 2jec n GLY 233 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jec n LEU 234 N -0.12 0.72 -4.27 0.99 4.77 -0.50 -4.35 117.00 114.23 2jec n LEU 234 Ca -0.01 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 2jec n LEU 234 Cb 0.12 0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 2jec n LEU 234 CO 0.02 0.24 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.44 2jec s PHE 235 N -2.13 1.85 -0.38 -1.77 0.08 -1.18 -4.76 117.98 109.69 2jec s PHE 235 Ca -0.04 -0.39 0.27 0.00 0.12 0.00 0.00 56.93 56.88 2jec s PHE 235 Cb 0.02 -1.07 0.83 0.00 -0.57 0.00 0.00 43.02 42.23 2jec s PHE 235 CO 0.20 0.14 1.77 -1.00 -0.10 0.00 0.00 175.22 176.23 2jec h PRO 236 N 4.57 0.00 0.00 0.24 0.13 -1.89 -3.36 132.00 131.69 2jec h PRO 236 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 2jec h PRO 236 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2jec h PRO 236 CO 0.42 0.00 0.06 -0.40 -0.23 0.00 0.00 178.00 177.85 2jec n ASP 237 N -2.74 -1.56 -1.55 1.44 5.68 -1.26 -4.70 116.55 111.85 2jec n ASP 237 Ca 0.03 -2.47 0.08 0.00 -0.50 0.00 0.00 54.79 51.93 2jec n ASP 237 Cb 0.39 2.71 0.35 0.00 -1.14 0.00 0.00 41.12 43.44 2jec n ASP 237 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jec n ALA 238 N -1.00 3.41 0.38 2.12 0.00 -1.26 -4.70 120.51 119.46 2jec n ALA 238 Ca -0.13 -1.88 0.03 0.00 0.00 0.00 0.00 53.44 51.46 2jec n ALA 238 Cb 0.50 -0.98 0.18 0.00 0.00 0.00 0.00 19.45 19.15 2jec n ALA 238 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59