#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 2.83 0.96 3.17 0.00 -1.26 -5.03 121.76 122.43 2jec s ALA 3 Ca 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 2jec s ALA 3 Cb 0.00 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.81 2jec s ALA 3 CO 0.00 -0.71 0.51 -0.25 0.00 0.00 0.00 175.76 175.31 2jec n ASP 4 N -0.92 -1.73 -4.33 0.00 8.00 -1.26 -5.02 116.55 111.30 2jec n ASP 4 Ca 0.10 0.32 -0.35 0.00 0.71 0.00 0.00 54.79 55.57 2jec n ASP 4 Cb 0.50 -1.24 -0.14 0.00 -0.02 0.00 0.00 41.12 40.22 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 -2.43 3.42 -0.09 -3.53 2.01 -1.26 -5.02 115.64 108.75 2jec s THR 5 Ca 0.58 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.13 2jec s THR 5 Cb -0.21 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.76 2jec s THR 5 CO 0.66 0.43 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.21 2jec s ILE 6 N 1.36 1.58 -0.08 1.82 -1.09 -1.26 -3.13 121.20 120.40 2jec s ILE 6 Ca 0.04 -0.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.77 2jec s ILE 6 Cb -0.14 -1.40 -0.00 0.00 -1.58 0.00 0.00 42.46 39.33 2jec s ILE 6 CO -0.02 0.45 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.23 2jec s VAL 7 N 0.55 1.90 -0.00 2.92 1.01 -0.16 -0.14 120.40 126.49 2jec s VAL 7 Ca -0.16 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 2jec s VAL 7 Cb -0.17 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2jec s VAL 7 CO 0.05 0.53 0.25 0.00 0.00 0.00 0.00 175.10 175.93 2jec s ALA 8 N 0.23 -0.61 -0.30 5.51 0.00 -0.18 -0.05 121.76 126.36 2jec s ALA 8 Ca -0.14 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 2jec s ALA 8 Cb -0.16 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2jec s ALA 8 CO 0.07 -0.25 0.10 0.08 0.00 0.00 0.00 175.76 175.75 2jec s VAL 9 N -1.45 4.17 -0.13 0.00 1.01 -0.27 0.15 120.40 123.89 2jec s VAL 9 Ca -0.13 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2jec s VAL 9 Cb -0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2jec s VAL 9 CO 0.03 0.10 0.13 -1.83 0.00 0.00 0.00 175.10 173.52 2jec s GLU 10 N 1.54 3.48 -0.56 2.72 -1.05 0.00 -1.63 118.70 123.21 2jec s GLU 10 Ca 0.03 -0.16 -0.12 0.00 -0.15 0.00 0.00 54.97 54.57 2jec s GLU 10 Cb -0.17 -3.18 0.14 0.00 -0.44 0.00 0.00 34.13 30.48 2jec s GLU 10 CO 0.04 0.73 0.47 -0.51 0.95 0.00 0.00 175.26 176.93 2jec s LEU 11 N -0.89 6.02 -0.48 1.83 1.02 0.14 -1.11 118.68 125.22 2jec s LEU 11 Ca 0.14 -2.02 -0.13 0.00 0.02 0.00 0.00 54.13 52.15 2jec s LEU 11 Cb -0.12 -2.11 0.10 0.00 0.02 0.00 0.00 46.19 44.08 2jec s LEU 11 CO 0.03 -0.73 0.38 -0.62 0.02 0.00 0.00 176.35 175.43 2jec s ASP 12 N 2.89 5.95 0.13 2.29 3.68 -0.10 -1.57 116.67 129.93 2jec s ASP 12 Ca 0.07 -1.61 0.27 0.00 2.13 0.00 0.00 52.55 53.41 2jec s ASP 12 Cb -0.25 -2.11 0.91 0.00 -1.45 0.00 0.00 42.92 40.01 2jec s ASP 12 CO -0.00 -0.69 1.78 -1.54 0.13 0.00 0.00 175.17 174.85 2jec n SER 13 N 5.09 0.54 -3.98 -0.34 3.41 -0.99 -1.60 113.62 115.75 2jec n SER 13 Ca -0.11 0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 58.69 2jec n SER 13 Cb 0.42 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.61 2jec n SER 13 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2jec s TYR 14 N -3.07 2.33 -0.30 7.33 5.04 -1.24 -4.49 117.35 122.96 2jec s TYR 14 Ca 0.11 -1.54 -0.29 0.00 -2.44 0.00 0.00 57.07 52.92 2jec s TYR 14 Cb 0.15 -1.60 -0.02 0.00 0.35 0.00 0.00 41.96 40.84 2jec s TYR 14 CO 0.59 -0.73 1.66 -2.14 -1.34 0.00 0.00 175.55 173.59 2jec s PRO 15 N 1.42 3.57 -1.06 4.97 0.02 -1.26 -4.94 135.00 137.72 2jec s PRO 15 Ca -0.01 1.45 -0.07 0.00 0.02 0.00 0.00 61.00 62.39 2jec s PRO 15 Cb -0.16 -4.10 0.27 0.00 0.02 0.00 0.00 34.50 30.53 2jec s PRO 15 CO -0.08 -1.57 1.06 0.09 -0.33 0.00 0.00 177.00 176.17 2jec n ASN 16 N 9.27 5.26 0.29 2.53 4.13 -1.26 -4.91 115.26 130.57 2jec n ASN 16 Ca 0.20 -3.09 0.18 0.00 1.68 0.00 0.00 54.58 53.55 2jec n ASN 16 Cb 0.46 -1.29 0.82 0.00 -1.54 0.00 0.00 39.78 38.24 2jec n ASN 16 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2jec h THR 17 N 3.71 0.09 0.00 3.41 1.35 -1.87 -1.64 112.91 117.96 2jec h THR 17 Ca 0.18 -0.42 -0.05 0.00 -0.55 0.00 0.00 66.41 65.57 2jec h THR 17 Cb 0.83 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 2jec h THR 17 CO 1.00 0.03 -0.23 -2.24 -0.25 0.00 0.00 175.52 173.83 2jec h ASP 18 N 0.00 0.00 -0.46 5.36 2.03 -1.91 -2.26 116.42 119.18 2jec h ASP 18 Ca -0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 2jec h ASP 18 Cb 0.37 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.74 2jec h ASP 18 CO 0.00 0.23 0.06 2.30 -1.03 0.00 0.00 179.24 180.80 2jec n ILE 19 N -3.47 2.65 -0.47 4.15 -5.35 -0.64 -4.98 119.36 111.25 2jec n ILE 19 Ca -0.00 -2.49 0.00 0.00 -0.27 0.00 0.00 62.75 59.98 2jec n ILE 19 Cb 0.40 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 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 -1.04 0.74 3.76 3.28 0.00 -0.85 -4.76 105.19 106.33 2jec n GLY 20 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 2jec n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jec s ASP 21 N -2.92 5.81 0.87 1.61 1.01 -1.06 -4.92 116.67 117.07 2jec s ASP 21 Ca 0.00 2.82 -0.11 0.00 0.71 0.00 0.00 52.55 55.97 2jec s ASP 21 Cb 0.00 -2.65 0.12 0.00 1.01 0.00 0.00 42.92 41.40 2jec s ASP 21 CO 0.00 -1.21 1.11 -2.16 0.21 0.00 0.00 175.17 173.12 2jec s PRO 22 N -2.53 1.41 -0.30 8.23 0.04 -1.26 -4.21 135.00 136.37 2jec s PRO 22 Ca 0.63 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 2jec s PRO 22 Cb -0.41 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2jec s PRO 22 CO 0.52 -2.25 3.16 -1.71 0.04 0.00 0.00 177.00 176.77 2jec n ASN 23 N -3.94 6.01 -3.53 6.66 4.05 -1.26 -4.67 115.26 118.59 2jec n ASN 23 Ca 0.09 -2.85 -0.09 0.00 0.45 0.00 0.00 54.58 52.18 2jec n ASN 23 Cb 0.53 -1.33 -0.03 0.00 1.23 0.00 0.00 39.78 40.18 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 -0.33 -0.36 0.40 1.20 -0.85 -1.26 -5.02 117.35 111.13 2jec s TYR 24 Ca 0.63 0.35 -0.26 0.00 -0.52 0.00 0.00 57.07 57.27 2jec s TYR 24 Cb 0.34 0.51 -0.10 0.00 0.38 0.00 0.00 41.96 43.09 2jec s TYR 24 CO -0.11 -0.48 1.27 -2.30 -1.52 0.00 0.00 175.55 172.40 2jec n PRO 25 N 0.06 1.97 -3.78 -3.49 -0.02 -1.26 -4.57 135.00 123.91 2jec n PRO 25 Ca -0.09 0.70 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 2jec n PRO 25 Cb 0.60 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.17 -0.04 -0.07 6.00 -3.43 -0.62 -1.38 115.29 114.57 2jec s HIS 26 Ca 0.59 -0.14 -0.07 0.00 -0.80 0.00 0.00 55.06 54.65 2jec s HIS 26 Cb -0.53 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.63 2jec s HIS 26 CO 0.59 -0.49 0.20 -1.50 -2.00 0.00 0.00 174.74 171.54 2jec s ILE 27 N -2.65 5.41 0.04 -5.38 2.07 -0.21 -0.93 121.20 119.56 2jec s ILE 27 Ca -0.04 0.21 -0.06 0.00 -1.41 0.00 0.00 60.65 59.35 2jec s ILE 27 Cb -0.01 -3.49 -0.01 0.00 0.13 0.00 0.00 42.46 39.09 2jec s ILE 27 CO -0.04 0.52 0.10 -0.83 -1.91 0.00 0.00 174.94 172.79 2jec s GLY 28 N -1.30 0.18 -0.25 1.50 0.00 -0.27 -0.92 107.32 106.26 2jec s GLY 28 Ca 0.20 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 2jec s GLY 28 CO 0.10 -0.73 0.05 -0.42 0.00 0.00 0.00 173.10 172.09 2jec s ILE 29 N -2.85 4.11 -0.24 0.90 1.01 -0.10 -0.82 121.20 123.21 2jec s ILE 29 Ca -0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 2jec s ILE 29 Cb 0.00 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 2jec s ILE 29 CO -0.06 0.35 0.01 -1.81 0.00 0.00 0.00 174.94 173.43 2jec s ASP 30 N 1.58 4.67 -0.45 3.58 1.01 0.12 -0.77 116.67 126.42 2jec s ASP 30 Ca 0.06 -0.37 -0.00 0.00 0.71 0.00 0.00 52.55 52.95 2jec s ASP 30 Cb -0.15 -1.82 0.12 0.00 1.01 0.00 0.00 42.92 42.09 2jec s ASP 30 CO 0.02 -0.04 0.22 -0.63 0.21 0.00 0.00 175.17 174.95 2jec s ILE 31 N 1.53 3.04 -1.97 0.77 -1.09 -1.26 -1.01 121.20 121.20 2jec s ILE 31 Ca 0.06 -2.47 0.00 0.00 -2.23 0.00 0.00 60.65 56.00 2jec s ILE 31 Cb -0.15 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2jec s ILE 31 CO -0.00 -0.72 0.00 0.29 -1.23 0.00 0.00 174.94 173.28 2jec n LYS 32 N 4.10 -1.54 -3.62 2.79 5.02 0.81 -4.93 118.16 120.79 2jec n LYS 32 Ca 0.02 1.10 -0.14 0.00 -2.02 0.00 0.00 58.31 57.28 2jec n LYS 32 Cb 0.40 -5.57 -0.07 0.00 -0.02 0.00 0.00 35.03 29.77 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 -2.47 -0.69 0.57 4.39 0.15 -1.26 -4.96 113.70 109.43 2jec s SER 33 Ca 0.00 1.25 0.38 0.00 0.70 0.00 0.00 55.95 58.28 2jec s SER 33 Cb 0.00 1.24 1.98 0.00 -1.71 0.00 0.00 66.02 67.53 2jec s SER 33 CO 0.00 -0.28 2.16 -0.29 1.20 0.00 0.00 173.24 176.03 2jec h ILE 34 N 3.78 0.00 -2.42 6.45 6.09 -1.84 -3.39 117.51 126.18 2jec h ILE 34 Ca -0.28 -0.11 -0.61 0.00 -1.37 0.00 0.00 64.86 62.49 2jec h ILE 34 Cb 1.16 1.01 -0.12 0.00 0.47 0.00 0.00 36.82 39.34 2jec h ILE 34 CO 0.11 0.00 0.80 -0.13 -3.07 0.00 0.00 178.15 175.86 2jec s ARG 35 N -3.93 3.22 0.26 2.19 0.52 -1.26 -4.95 118.95 114.99 2jec s ARG 35 Ca -0.03 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 2jec s ARG 35 Cb 0.11 -4.37 -0.14 0.00 0.52 0.00 0.00 34.95 31.07 2jec s ARG 35 CO 0.40 -1.94 1.18 0.43 0.02 0.00 0.00 175.30 175.39 2jec n SER 36 N 8.19 1.90 0.21 0.23 7.64 -1.26 -4.80 113.62 125.72 2jec n SER 36 Ca 0.04 1.17 0.08 0.00 1.01 0.00 0.00 58.87 61.17 2jec n SER 36 Cb 0.47 -1.34 0.36 0.00 -1.01 0.00 0.00 64.21 62.69 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 2.92 0.00 -2.57 1.43 1.79 -1.29 -3.45 116.57 115.40 2jec h LYS 37 Ca -0.43 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.94 2jec h LYS 37 Cb 1.32 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.73 2jec h LYS 37 CO 0.67 0.27 -0.17 0.45 -1.08 0.00 0.00 179.45 179.59 2jec s SER 38 N -6.25 -0.52 0.20 0.86 0.15 -1.23 -5.01 113.70 101.90 2jec s SER 38 Ca 0.02 0.97 0.02 0.00 0.70 0.00 0.00 55.95 57.65 2jec s SER 38 Cb 0.09 0.96 -0.05 0.00 -1.71 0.00 0.00 66.02 65.32 2jec s SER 38 CO 0.66 -0.17 0.03 0.42 1.20 0.00 0.00 173.24 175.37 2jec s THR 39 N 0.47 0.64 -0.00 6.45 -4.23 -1.26 -0.92 115.64 116.78 2jec s THR 39 Ca -0.02 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 2jec s THR 39 Cb -0.04 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.55 2jec s THR 39 CO -0.02 -0.35 0.17 0.00 -0.54 0.00 0.00 174.62 173.88 2jec s ALA 40 N -3.69 -0.40 0.15 3.99 0.00 -0.10 -4.97 121.76 116.74 2jec s ALA 40 Ca 0.28 -0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 2jec s ALA 40 Cb 0.06 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 2jec s ALA 40 CO 0.07 -0.21 1.43 0.50 0.00 0.00 0.00 175.76 177.54 2jec s ARG 41 N -1.34 4.30 -0.27 0.00 3.52 -1.26 -1.05 118.95 122.86 2jec s ARG 41 Ca -0.14 2.16 -0.09 0.00 -0.13 0.00 0.00 55.73 57.54 2jec s ARG 41 Cb -0.07 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 2jec s ARG 41 CO 0.02 -0.45 0.12 -0.46 -0.81 0.00 0.00 175.30 173.71 2jec s TRP 42 N 0.86 3.14 -0.88 5.12 -0.00 -0.48 -4.75 118.94 121.95 2jec s TRP 42 Ca 0.64 -0.29 -0.20 0.00 -0.00 0.00 0.00 56.10 56.25 2jec s TRP 42 Cb -0.39 -2.29 0.11 0.00 -0.00 0.00 0.00 33.47 30.89 2jec s TRP 42 CO 0.33 -0.32 1.13 -0.80 -0.00 0.00 0.00 176.95 177.29 2jec s ASN 43 N 1.66 6.50 0.55 5.86 0.01 -1.26 -4.54 114.94 123.72 2jec s ASN 43 Ca 0.06 -1.72 -0.21 0.00 -0.71 0.00 0.00 52.86 50.28 2jec s ASN 43 Cb -0.16 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 2jec s ASN 43 CO 0.06 -1.21 1.28 -0.04 -1.51 0.00 0.00 177.10 175.68 2jec s MET 44 N 3.29 3.14 -0.54 -0.60 -1.94 -1.26 -4.99 119.30 116.40 2jec s MET 44 Ca 0.32 2.02 0.06 0.00 -1.71 0.00 0.00 55.69 56.38 2jec s MET 44 Cb -0.07 -2.15 0.22 0.00 2.01 0.00 0.00 34.83 34.84 2jec s MET 44 CO -0.05 -1.12 0.57 1.04 -0.01 0.00 0.00 175.02 175.45 2jec n GLN 45 N -1.17 1.49 -1.65 2.03 6.02 -1.26 -5.10 117.38 117.73 2jec n GLN 45 Ca 0.11 -3.96 -0.46 0.00 -0.01 0.00 0.00 57.00 52.69 2jec n GLN 45 Cb 0.47 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 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 1.50 0.90 -0.46 5.09 -1.04 -1.26 -0.69 114.28 118.31 2jec n THR 46 Ca 0.25 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2jec n THR 46 Cb 0.45 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 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 2.16 1.41 3.49 3.41 0.00 0.71 -4.99 105.19 111.38 2jec n GLY 47 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.25 2.14 -0.06 1.61 -0.14 0.13 -4.99 119.74 118.18 2jec s LYS 48 Ca 0.00 -0.95 -0.30 0.00 -1.36 0.00 0.00 55.97 53.36 2jec s LYS 48 Cb 0.00 -2.24 -0.03 0.00 -1.68 0.00 0.00 37.83 33.87 2jec s LYS 48 CO 0.00 0.54 1.24 0.08 -0.76 0.00 0.00 175.35 176.46 2jec s VAL 49 N -0.97 4.16 0.26 3.17 1.01 -1.26 -4.47 120.40 122.30 2jec s VAL 49 Ca 0.16 1.49 0.08 0.00 0.00 0.00 0.00 61.98 63.71 2jec s VAL 49 Cb -0.11 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2jec s VAL 49 CO 0.07 -0.02 0.12 -0.83 0.00 0.00 0.00 175.10 174.44 2jec s GLY 50 N 1.62 1.53 -0.05 4.51 0.00 0.23 -4.39 107.32 110.77 2jec s GLY 50 Ca 0.57 -1.53 0.03 0.00 0.00 0.00 0.00 44.72 43.79 2jec s GLY 50 CO 0.22 -1.58 -0.13 -1.59 0.00 0.00 0.00 173.10 170.02 2jec s THR 51 N -2.22 1.16 -0.07 0.90 2.01 0.16 -0.96 115.64 116.61 2jec s THR 51 Ca 0.33 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.84 2jec s THR 51 Cb -0.07 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2jec s THR 51 CO 0.23 0.35 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.58 2jec s VAL 52 N 0.30 2.15 -0.12 3.82 1.01 -0.41 -1.08 120.40 126.06 2jec s VAL 52 Ca -0.07 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.91 2jec s VAL 52 Cb -0.12 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2jec s VAL 52 CO 0.02 0.57 -0.21 -1.00 0.00 0.00 0.00 175.10 174.48 2jec s HIS 53 N -0.08 2.46 -0.03 5.22 3.76 -0.37 -2.06 115.29 124.19 2jec s HIS 53 Ca -0.06 -1.16 0.07 0.00 -0.15 0.00 0.00 55.06 53.76 2jec s HIS 53 Cb -0.14 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2jec s HIS 53 CO 0.04 -0.52 -0.25 0.42 -0.85 0.00 0.00 174.74 173.59 2jec s ILE 54 N 0.71 1.97 0.01 0.60 1.01 0.43 -1.12 121.20 124.82 2jec s ILE 54 Ca -0.11 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.40 2jec s ILE 54 Cb -0.16 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.66 2jec s ILE 54 CO 0.01 0.55 0.19 -0.94 0.00 0.00 0.00 174.94 174.76 2jec s SER 55 N -0.40 -0.01 -0.04 3.58 1.04 -0.53 -0.85 113.70 116.48 2jec s SER 55 Ca 0.04 -0.21 -0.27 0.00 0.48 0.00 0.00 55.95 55.99 2jec s SER 55 Cb -0.11 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.32 2jec s SER 55 CO 0.01 -0.46 0.59 -0.47 0.98 0.00 0.00 173.24 173.89 2jec s TYR 56 N -1.83 -0.55 0.07 5.02 6.14 -0.66 -1.72 117.35 123.83 2jec s TYR 56 Ca -0.11 0.92 -0.10 0.00 0.64 0.00 0.00 57.07 58.42 2jec s TYR 56 Cb -0.05 0.33 0.01 0.00 0.42 0.00 0.00 41.96 42.68 2jec s TYR 56 CO 0.00 -0.56 0.23 0.54 0.64 0.00 0.00 175.55 176.40 2jec s ASN 57 N -1.22 0.02 0.00 4.32 4.22 -1.26 -1.78 114.94 119.24 2jec s ASN 57 Ca -0.12 -0.46 0.25 0.00 -2.14 0.00 0.00 52.86 50.40 2jec s ASN 57 Cb -0.01 0.34 1.08 0.00 1.28 0.00 0.00 41.25 43.93 2jec s ASN 57 CO 0.09 -0.67 1.80 -1.54 -2.04 0.00 0.00 177.10 174.74 2jec n SER 58 N 0.26 0.00 -0.08 3.54 3.41 -0.05 -0.16 113.62 120.54 2jec n SER 58 Ca -0.17 0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 2jec n SER 58 Cb 0.61 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.66 -0.28 -3.33 2.07 -1.90 -3.37 116.25 110.09 2jec h VAL 59 Ca 0.00 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.72 2jec h VAL 59 Cb 0.42 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2jec h VAL 59 CO 0.00 0.22 -0.20 0.00 0.02 0.00 0.00 177.57 177.61 2jec h ALA 60 N -0.63 1.13 -6.06 1.67 0.00 -1.96 -3.47 119.26 109.93 2jec h ALA 60 Ca -0.15 -0.32 -0.41 0.00 0.00 0.00 0.00 54.91 54.03 2jec h ALA 60 Cb 0.87 -0.13 0.06 0.00 0.00 0.00 0.00 17.79 18.59 2jec h ALA 60 CO -0.09 0.55 -0.83 1.63 0.00 0.00 0.00 179.25 180.51 2jec n LYS 61 N -4.15 -4.95 -3.60 0.00 5.02 0.78 -4.94 118.16 106.32 2jec n LYS 61 Ca 0.00 0.63 -0.27 0.00 -2.02 0.00 0.00 58.31 56.65 2jec n LYS 61 Cb 0.38 -5.21 -0.16 0.00 -0.02 0.00 0.00 35.03 30.02 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 -5.93 0.20 -0.18 1.97 3.52 -1.26 -1.48 118.95 115.79 2jec s ARG 62 Ca 0.01 -0.32 -0.26 0.00 -0.13 0.00 0.00 55.73 55.02 2jec s ARG 62 Cb -0.00 -1.63 -0.01 0.00 -1.56 0.00 0.00 34.95 31.75 2jec s ARG 62 CO 0.81 -0.81 0.88 -1.17 -0.81 0.00 0.00 175.30 174.21 2jec s LEU 63 N 2.07 4.16 0.08 -0.88 2.96 -0.19 -4.47 118.68 122.41 2jec s LEU 63 Ca 0.05 1.23 0.06 0.00 -0.22 0.00 0.00 54.13 55.25 2jec s LEU 63 Cb -0.16 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 2jec s LEU 63 CO -0.19 -0.46 -0.16 -0.44 -1.32 0.00 0.00 176.35 173.78 2jec s SER 64 N 1.18 1.97 0.00 3.68 0.01 -0.70 -0.53 113.70 119.31 2jec s SER 64 Ca 0.40 -0.65 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 2jec s SER 64 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2jec s SER 64 CO 0.12 -0.04 0.15 0.00 0.41 0.00 0.00 173.24 173.88 2jec s ALA 65 N -1.28 -0.36 -0.01 1.44 0.00 -0.13 -1.46 121.76 119.97 2jec s ALA 65 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2jec s ALA 65 Cb -0.10 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2jec s ALA 65 CO 0.03 -0.21 -0.03 0.54 0.00 0.00 0.00 175.76 176.08 2jec s VAL 66 N -1.38 0.30 -0.02 0.00 0.11 -0.27 -1.39 120.40 117.75 2jec s VAL 66 Ca -0.15 -0.12 0.08 0.00 -2.93 0.00 0.00 61.98 58.86 2jec s VAL 66 Cb -0.07 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2jec s VAL 66 CO 0.02 0.10 -0.26 -0.69 -3.33 0.00 0.00 175.10 170.95 2jec s VAL 67 N 0.14 2.02 0.18 2.04 1.01 0.12 -1.24 120.40 124.68 2jec s VAL 67 Ca -0.01 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 2jec s VAL 67 Cb -0.04 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2jec s VAL 67 CO -0.00 0.57 0.35 -0.94 0.00 0.00 0.00 175.10 175.07 2jec s SER 68 N -0.57 -0.02 0.07 3.32 1.04 -0.25 -1.33 113.70 115.96 2jec s SER 68 Ca 0.09 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.69 2jec s SER 68 Cb -0.10 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2jec s SER 68 CO -0.01 -0.96 -0.06 -0.31 0.98 0.00 0.00 173.24 172.88 2jec s TYR 69 N -3.97 0.73 0.04 5.02 1.51 -1.26 -0.66 117.35 118.76 2jec s TYR 69 Ca 0.18 -0.75 -0.37 0.00 -1.01 0.00 0.00 57.07 55.12 2jec s TYR 69 Cb 0.02 -0.44 -0.16 0.00 -0.11 0.00 0.00 41.96 41.27 2jec s TYR 69 CO 0.02 -0.15 1.40 0.45 -1.11 0.00 0.00 175.55 176.16 2jec n SER 70 N 0.64 1.82 -0.53 2.29 2.88 -1.26 -2.42 113.62 117.03 2jec n SER 70 Ca -0.17 1.11 -0.07 0.00 -1.33 0.00 0.00 58.87 58.41 2jec n SER 70 Cb 0.58 -1.20 -0.03 0.00 -0.75 0.00 0.00 64.21 62.81 2jec n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jec n GLY 71 N 2.78 0.86 3.29 0.46 0.00 -1.26 -4.99 105.19 106.33 2jec n GLY 71 Ca 0.19 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2jec n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jec s SER 72 N -2.53 2.38 0.76 1.61 0.01 -1.02 -5.12 113.70 109.78 2jec s SER 72 Ca 0.00 -0.84 -0.13 0.00 1.31 0.00 0.00 55.95 56.30 2jec s SER 72 Cb 0.00 -0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.17 2jec s SER 72 CO 0.00 -0.08 1.13 -0.94 0.41 0.00 0.00 173.24 173.76 2jec s SER 73 N -2.56 4.33 0.36 2.44 1.04 -1.26 -4.56 113.70 113.48 2jec s SER 73 Ca 0.13 2.04 0.04 0.00 0.48 0.00 0.00 55.95 58.64 2jec s SER 73 Cb -0.05 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 2jec s SER 73 CO 0.05 -2.16 0.53 -0.94 0.98 0.00 0.00 173.24 171.69 2jec s SER 74 N -2.77 5.95 -0.06 7.02 1.04 -1.26 -4.64 113.70 118.98 2jec s SER 74 Ca 0.66 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 57.12 2jec s SER 74 Cb -0.21 -1.37 -0.00 0.00 0.10 0.00 0.00 66.02 64.53 2jec s SER 74 CO 0.50 -0.49 -0.20 -0.89 0.98 0.00 0.00 173.24 173.14 2jec s THR 75 N -2.28 1.66 0.12 2.02 2.01 -0.44 -4.98 115.64 113.75 2jec s THR 75 Ca 0.45 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.71 2jec s THR 75 Cb -0.10 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2jec s THR 75 CO 0.33 0.47 -0.23 0.42 -0.69 0.00 0.00 174.62 174.92 2jec s THR 76 N 0.06 1.97 -0.03 -0.82 -4.23 -1.26 -0.70 115.64 110.63 2jec s THR 76 Ca -0.06 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2jec s THR 76 Cb -0.13 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 71.93 2jec s THR 76 CO 0.03 -0.03 0.08 0.54 -0.54 0.00 0.00 174.62 174.71 2jec s VAL 77 N -1.24 0.02 0.08 2.29 0.11 -0.48 -4.72 120.40 116.46 2jec s VAL 77 Ca 0.11 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2jec s VAL 77 Cb -0.09 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2jec s VAL 77 CO 0.05 -0.08 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.25 2jec s SER 78 N -0.23 0.91 -0.16 3.54 0.01 -1.26 -0.95 113.70 115.55 2jec s SER 78 Ca -0.03 -0.98 -0.08 0.00 1.31 0.00 0.00 55.95 56.17 2jec s SER 78 Cb -0.02 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.39 2jec s SER 78 CO 0.00 -0.50 0.37 -0.47 0.41 0.00 0.00 173.24 173.06 2jec s TYR 79 N -3.59 -0.55 -0.26 2.43 5.04 0.31 -4.84 117.35 115.88 2jec s TYR 79 Ca 0.09 1.18 -0.29 0.00 -2.44 0.00 0.00 57.07 55.61 2jec s TYR 79 Cb 0.05 0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.59 2jec s TYR 79 CO -0.06 -0.33 1.09 -0.51 -1.34 0.00 0.00 175.55 174.40 2jec s ASP 80 N 1.46 6.99 -0.28 4.32 1.01 -1.26 -1.03 116.67 127.89 2jec s ASP 80 Ca -0.09 1.27 -0.21 0.00 0.71 0.00 0.00 52.55 54.23 2jec s ASP 80 Cb -0.09 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.38 2jec s ASP 80 CO -0.12 -0.79 0.74 0.54 0.21 0.00 0.00 175.17 175.75 2jec s VAL 81 N 3.49 0.00 -0.56 -1.27 0.11 -0.55 -5.01 120.40 116.61 2jec s VAL 81 Ca 0.46 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.27 2jec s VAL 81 Cb -0.15 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.74 2jec s VAL 81 CO 0.12 0.00 0.99 -0.62 -3.33 0.00 0.00 175.10 172.25 2jec s ASP 82 N 0.96 6.36 0.55 3.54 -1.08 -1.26 -4.24 116.67 121.49 2jec s ASP 82 Ca -0.05 -0.27 0.33 0.00 -0.52 0.00 0.00 52.55 52.04 2jec s ASP 82 Cb -0.05 -2.46 1.50 0.00 -1.46 0.00 0.00 42.92 40.46 2jec s ASP 82 CO -0.09 -1.27 2.05 -0.07 0.52 0.00 0.00 175.17 176.30 2jec h LEU 83 N 11.14 0.00 -1.93 -1.34 3.38 -1.96 -2.21 115.31 122.39 2jec h LEU 83 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2jec h LEU 83 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2jec h LEU 83 CO 1.11 0.06 -0.10 0.78 0.09 0.00 0.00 178.44 180.37 2jec h ASN 84 N 0.00 0.00 0.01 -0.43 2.35 -1.92 -0.35 115.58 115.25 2jec h ASN 84 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jec h ASN 84 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2jec h ASN 84 CO 0.01 0.10 -0.00 0.59 -1.65 0.00 0.00 177.43 176.48 2jec n ASN 85 N -4.07 0.11 0.01 5.81 3.02 -0.83 -4.43 115.26 114.88 2jec n ASN 85 Ca -0.02 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2jec n ASN 85 Cb 0.19 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.92 0.18 -3.67 2.41 0.31 -0.71 -5.09 118.33 110.83 2jec n VAL 86 Ca 0.23 0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.38 2jec n VAL 86 Cb 0.13 -1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 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 -6.02 4.18 1.02 7.52 1.43 -0.22 -4.94 118.68 121.64 2jec s LEU 87 Ca 0.00 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 2jec s LEU 87 Cb 0.00 -3.13 0.20 0.00 0.03 0.00 0.00 46.19 43.29 2jec s LEU 87 CO 0.00 -0.13 1.10 -2.16 0.23 0.00 0.00 176.35 175.39 2jec s PRO 88 N -3.84 0.27 0.32 1.29 0.04 -1.26 -4.75 135.00 127.06 2jec s PRO 88 Ca 0.38 0.40 0.12 0.00 0.04 0.00 0.00 61.00 61.93 2jec s PRO 88 Cb -0.10 -1.73 0.53 0.00 0.04 0.00 0.00 34.50 33.24 2jec s PRO 88 CO 0.31 -2.81 1.71 0.93 0.04 0.00 0.00 177.00 177.18 2jec h GLU 89 N -1.95 0.00 -5.75 4.56 5.08 -1.95 -3.42 114.58 111.15 2jec h GLU 89 Ca -0.54 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.16 2jec h GLU 89 Cb 1.33 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.36 2jec h GLU 89 CO 0.56 0.50 -0.71 -1.58 -1.00 0.00 0.00 179.01 176.78 2jec s TRP 90 N -3.87 2.90 0.30 4.33 0.52 -1.26 -0.23 118.94 121.62 2jec s TRP 90 Ca -0.02 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.88 2jec s TRP 90 Cb 0.13 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 2jec s TRP 90 CO 0.74 0.09 0.13 0.14 0.02 0.00 0.00 176.95 178.07 2jec s VAL 91 N -0.22 0.48 0.18 4.03 -7.23 -0.50 -4.29 120.40 112.84 2jec s VAL 91 Ca 0.02 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.30 2jec s VAL 91 Cb -0.13 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2jec s VAL 91 CO 0.03 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.49 2jec s ARG 92 N -3.90 1.68 0.06 4.82 0.52 -0.02 -0.83 118.95 121.28 2jec s ARG 92 Ca 0.36 -1.42 0.08 0.00 -0.52 0.00 0.00 55.73 54.23 2jec s ARG 92 Cb 0.06 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 2jec s ARG 92 CO 0.16 0.42 -0.18 0.14 0.02 0.00 0.00 175.30 175.85 2jec s VAL 93 N -1.59 2.78 0.30 3.52 -7.23 -1.26 -1.71 120.40 115.21 2jec s VAL 93 Ca 0.21 -1.28 -0.18 0.00 -1.81 0.00 0.00 61.98 58.92 2jec s VAL 93 Cb -0.08 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2jec s VAL 93 CO 0.11 0.27 0.68 -0.83 -0.31 0.00 0.00 175.10 175.02 2jec s GLY 94 N -1.63 0.16 0.00 2.32 0.00 -0.04 -1.11 107.32 107.01 2jec s GLY 94 Ca 0.15 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.42 2jec s GLY 94 CO 0.06 -0.26 -0.25 1.08 0.00 0.00 0.00 173.10 173.74 2jec s LEU 95 N -2.98 2.15 0.21 0.66 1.43 -0.16 -0.67 118.68 119.32 2jec s LEU 95 Ca 0.14 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2jec s LEU 95 Cb -0.05 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 2jec s LEU 95 CO 0.09 0.30 -0.11 -0.94 0.23 0.00 0.00 176.35 175.92 2jec s SER 96 N -0.84 2.40 0.10 2.29 1.04 -0.55 -1.35 113.70 116.78 2jec s SER 96 Ca 0.11 -1.06 -0.24 0.00 0.48 0.00 0.00 55.95 55.24 2jec s SER 96 Cb -0.10 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 65.98 2jec s SER 96 CO 0.00 -0.26 0.58 0.00 0.98 0.00 0.00 173.24 174.55 2jec s ALA 97 N -3.08 -1.52 0.12 5.32 0.00 -0.41 -0.56 121.76 121.62 2jec s ALA 97 Ca 0.23 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 2jec s ALA 97 Cb 0.01 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2jec s ALA 97 CO 0.07 -0.63 0.08 0.95 0.00 0.00 0.00 175.76 176.22 2jec s THR 98 N -3.03 0.12 0.24 0.00 -4.23 -0.91 -1.97 115.64 105.87 2jec s THR 98 Ca -0.02 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2jec s THR 98 Cb -0.00 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 2jec s THR 98 CO -0.06 -0.55 -0.02 0.42 -0.54 0.00 0.00 174.62 173.86 2jec s THR 99 N -4.00 1.20 0.00 3.99 -4.23 -0.47 -0.77 115.64 111.37 2jec s THR 99 Ca 0.19 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2jec s THR 99 Cb 0.07 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2jec s THR 99 CO -0.01 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2jec n GLY 100 N -0.46 4.34 0.30 3.99 0.00 -1.26 -3.14 105.19 108.96 2jec n GLY 100 Ca -0.05 -0.56 -0.05 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 0.94-10.13 0.99 5.85 -1.98 0.22 115.31 111.19 2jec h LEU 101 Ca 0.00 -0.11 -0.48 0.00 0.84 0.00 0.00 57.88 58.13 2jec h LEU 101 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2jec h LEU 101 CO 0.00 0.77 -0.41 -0.31 -0.34 0.00 0.00 178.44 178.16 2jec s TYR 102 N -5.81 2.88 0.13 1.25 2.02 -1.26 -4.88 117.35 111.67 2jec s TYR 102 Ca -0.13 -0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 2jec s TYR 102 Cb 0.15 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.76 2jec s TYR 102 CO 0.80 0.05 0.26 -1.59 -1.57 0.00 0.00 175.55 173.50 2jec s LYS 103 N -4.07 1.01 0.15 -0.62 -2.85 -1.24 -4.38 119.74 107.73 2jec s LYS 103 Ca 0.44 -1.02 -0.24 0.00 -1.00 0.00 0.00 55.97 54.16 2jec s LYS 103 Cb -0.06 0.37 0.07 0.00 -2.06 0.00 0.00 37.83 36.15 2jec s LYS 103 CO 0.28 -0.35 0.66 -1.83 0.10 0.00 0.00 175.35 174.21 2jec s GLU 104 N -3.90 1.28 0.33 1.78 -1.05 -0.90 -3.44 118.70 112.80 2jec s GLU 104 Ca 0.10 -0.52 -0.27 0.00 -0.15 0.00 0.00 54.97 54.13 2jec s GLU 104 Cb 0.04 0.56 -0.09 0.00 -0.44 0.00 0.00 34.13 34.19 2jec s GLU 104 CO -0.06 -0.56 1.09 0.95 0.95 0.00 0.00 175.26 177.62 2jec s THR 105 N -3.67 3.51 -0.62 1.83 -4.23 0.51 -4.74 115.64 108.23 2jec s THR 105 Ca 0.03 1.37 0.06 0.00 -1.18 0.00 0.00 61.69 61.97 2jec s THR 105 Cb -0.02 -3.81 0.23 0.00 1.34 0.00 0.00 72.50 70.24 2jec s THR 105 CO -0.10 0.22 0.65 0.59 -0.54 0.00 0.00 174.62 175.43 2jec n ASN 106 N 0.66 3.04 -4.72 3.99 4.13 -1.26 -3.90 115.26 117.19 2jec n ASN 106 Ca 0.01 -3.27 -0.36 0.00 1.68 0.00 0.00 54.58 52.65 2jec n ASN 106 Cb 0.46 -0.68 -0.08 0.00 -1.54 0.00 0.00 39.78 37.94 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 -1.99 5.35 -0.27 3.41 2.01 -1.10 -1.46 115.64 121.60 2jec s THR 107 Ca 0.35 0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.68 2jec s THR 107 Cb 0.10 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 2jec s THR 107 CO -0.07 0.40 0.06 -0.63 -0.69 0.00 0.00 174.62 173.69 2jec s ILE 108 N 0.51 4.03 -0.02 1.82 -1.09 0.94 -0.40 121.20 126.99 2jec s ILE 108 Ca 0.13 -0.44 0.12 0.00 -2.23 0.00 0.00 60.65 58.22 2jec s ILE 108 Cb -0.12 -2.96 -0.17 0.00 -1.58 0.00 0.00 42.46 37.62 2jec s ILE 108 CO 0.02 0.24 0.96 -0.07 -1.23 0.00 0.00 174.94 174.86 2jec h LEU 109 N 8.22 0.00 -7.00 2.97 4.07 -1.46 -1.76 115.31 120.35 2jec h LEU 109 Ca -0.36 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 2jec h LEU 109 Cb 1.15 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.75 2jec h LEU 109 CO 0.59 0.87 0.21 -0.94 -1.08 0.00 0.00 178.44 178.09 2jec s SER 110 N -6.26 -0.60 -0.24 -0.43 1.04 -1.24 -4.22 113.70 101.76 2jec s SER 110 Ca -0.02 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.52 2jec s SER 110 Cb 0.09 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.87 2jec s SER 110 CO 0.81 -0.86 0.56 0.86 0.98 0.00 0.00 173.24 175.59 2jec s TRP 111 N -2.94 -0.93 0.18 5.02 -0.00 0.36 -1.51 118.94 119.12 2jec s TRP 111 Ca -0.03 1.82 0.05 0.00 -0.00 0.00 0.00 56.10 57.94 2jec s TRP 111 Cb -0.01 0.50 -0.05 0.00 -0.00 0.00 0.00 33.47 33.92 2jec s TRP 111 CO -0.06 -0.49 -0.07 -1.54 -0.00 0.00 0.00 176.95 174.79 2jec s SER 112 N 1.92 1.92 -0.21 5.86 1.04 0.68 -0.35 113.70 124.56 2jec s SER 112 Ca -0.08 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.07 2jec s SER 112 Cb -0.08 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.07 2jec s SER 112 CO -0.17 -0.37 0.56 0.12 0.98 0.00 0.00 173.24 174.36 2jec s PHE 113 N -3.31 -0.63 -0.03 5.02 5.36 -0.44 -1.35 117.98 122.61 2jec s PHE 113 Ca 0.22 1.51 0.02 0.00 -0.96 0.00 0.00 56.93 57.72 2jec s PHE 113 Cb 0.03 0.22 0.01 0.00 -0.34 0.00 0.00 43.02 42.94 2jec s PHE 113 CO 0.04 -0.30 -0.07 0.99 -1.46 0.00 0.00 175.22 174.42 2jec s THR 114 N 0.36 0.68 0.02 0.12 2.01 0.34 -1.40 115.64 117.77 2jec s THR 114 Ca -0.01 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.78 2jec s THR 114 Cb -0.04 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 2jec s THR 114 CO -0.00 0.23 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.43 2jec s SER 115 N 0.43 2.14 -0.00 3.53 0.15 -0.18 -0.09 113.70 119.68 2jec s SER 115 Ca -0.06 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.18 2jec s SER 115 Cb -0.10 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 2jec s SER 115 CO 0.01 0.16 -0.06 -0.54 1.20 0.00 0.00 173.24 174.01 2jec s LYS 116 N -0.85 0.45 -0.08 5.44 1.02 -0.29 -1.47 119.74 123.96 2jec s LYS 116 Ca 0.06 -0.25 -0.00 0.00 0.02 0.00 0.00 55.97 55.80 2jec s LYS 116 Cb -0.08 -0.42 0.02 0.00 -0.52 0.00 0.00 37.83 36.84 2jec s LYS 116 CO 0.01 0.11 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.33 2jec s LEU 117 N -0.26 1.02 -0.07 3.17 2.96 -0.03 -1.37 118.68 124.10 2jec s LEU 117 Ca 0.01 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2jec s LEU 117 Cb -0.03 -0.64 -0.00 0.00 0.50 0.00 0.00 46.19 46.02 2jec s LEU 117 CO -0.00 -0.13 -0.22 -0.75 -1.32 0.00 0.00 176.35 173.93 2jec s LYS 118 N 1.61 2.57 0.57 1.98 2.47 -0.15 0.18 119.74 128.97 2jec s LYS 118 Ca 0.01 -0.81 0.06 0.00 -1.56 0.00 0.00 55.97 53.67 2jec s LYS 118 Cb -0.13 -2.07 0.06 0.00 -1.46 0.00 0.00 37.83 34.23 2jec s LYS 118 CO -0.05 0.25 0.52 0.95 0.16 0.00 0.00 175.35 177.18 2jec s THR 119 N 0.14 1.66 0.36 3.43 -4.23 -1.26 0.18 115.64 115.92 2jec s THR 119 Ca -0.11 -1.37 0.18 0.00 -1.18 0.00 0.00 61.69 59.21 2jec s THR 119 Cb -0.15 -2.03 0.17 0.00 1.34 0.00 0.00 72.50 71.83 2jec s THR 119 CO 0.06 0.00 1.91 -0.55 -0.54 0.00 0.00 174.62 175.49 2jec h ASN 120 N 0.55 0.00 -2.60 3.99 -1.07 -1.83 -3.42 115.58 111.20 2jec h ASN 120 Ca -0.34 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.55 2jec h ASN 120 Cb 1.30 0.00 0.23 0.00 -2.07 0.00 0.00 38.32 37.78 2jec h ASN 120 CO 0.52 0.27 -1.00 -1.54 0.07 0.00 0.00 177.43 175.76 2jec n SER 121 N -3.90 -2.38 0.25 6.14 3.41 -1.26 -4.89 113.62 110.99 2jec n SER 121 Ca -0.02 0.02 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2jec n SER 121 Cb 0.35 -1.01 0.65 0.00 -0.26 0.00 0.00 64.21 63.94 2jec n SER 121 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2jec h ILE 122 N -1.86 0.79 -1.69 -1.33 3.07 -2.06 -3.45 117.51 110.98 2jec h ILE 122 Ca -0.50 -0.55 -0.68 0.00 1.55 0.00 0.00 64.86 64.68 2jec h ILE 122 Cb 1.34 1.33 0.07 0.00 -0.27 0.00 0.00 36.82 39.29 2jec h ILE 122 CO 0.36 0.14 0.22 0.00 -1.05 0.00 0.00 178.15 177.82 2jec n ALA 123 N -2.37 -1.38 -0.83 0.16 0.00 -1.26 -4.95 120.51 109.87 2jec n ALA 123 Ca -0.02 0.49 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 2jec n ALA 123 Cb 0.23 -1.97 0.18 0.00 0.00 0.00 0.00 19.45 17.89 2jec n ALA 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jec s ASP 124 N 0.02 2.65 0.35 0.00 1.11 -1.26 -4.74 116.67 114.79 2jec s ASP 124 Ca 0.77 1.79 -0.28 0.00 0.18 0.00 0.00 52.55 55.02 2jec s ASP 124 Cb -0.94 -2.39 -0.12 0.00 1.07 0.00 0.00 42.92 40.54 2jec s ASP 124 CO 0.52 -3.20 1.26 0.00 1.18 0.00 0.00 175.17 174.92 2jec n ALA 125 N -4.28 1.15 -1.78 5.23 0.00 -1.26 -4.88 120.51 114.70 2jec n ALA 125 Ca 0.08 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 2jec n ALA 125 Cb 0.54 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.36 6.09 0.02 0.00 -0.87 0.13 -4.87 114.94 115.07 2jec s ASN 126 Ca 0.56 2.11 -0.14 0.00 -1.57 0.00 0.00 52.86 53.83 2jec s ASN 126 Cb -0.57 -2.58 0.02 0.00 -0.02 0.00 0.00 41.25 38.10 2jec s ASN 126 CO 0.62 -0.96 0.29 -0.94 -2.57 0.00 0.00 177.10 173.53 2jec s SER 127 N -1.74 -0.13 -0.02 -1.22 1.04 -1.26 -0.85 113.70 109.52 2jec s SER 127 Ca 0.68 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 57.07 2jec s SER 127 Cb -0.22 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2jec s SER 127 CO 0.26 -0.53 -0.14 -0.22 0.98 0.00 0.00 173.24 173.59 2jec s LEU 128 N -1.72 1.99 -0.05 2.42 2.96 -0.54 -5.00 118.68 118.73 2jec s LEU 128 Ca -0.09 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2jec s LEU 128 Cb -0.03 -0.75 0.03 0.00 0.50 0.00 0.00 46.19 45.93 2jec s LEU 128 CO 0.00 0.16 0.12 -2.28 -1.32 0.00 0.00 176.35 173.03 2jec s HIS 129 N -0.23 -0.12 0.06 5.38 5.65 -1.26 -1.01 115.29 123.76 2jec s HIS 129 Ca 0.03 0.37 0.02 0.00 0.25 0.00 0.00 55.06 55.73 2jec s HIS 129 Cb -0.07 -0.06 -0.03 0.00 -1.18 0.00 0.00 32.58 31.25 2jec s HIS 129 CO -0.00 -0.12 -0.07 -0.59 -0.65 0.00 0.00 174.74 173.31 2jec s PHE 130 N 0.74 0.76 -0.10 3.88 -0.12 -0.49 -5.01 117.98 117.65 2jec s PHE 130 Ca -0.06 -0.66 -0.04 0.00 -0.05 0.00 0.00 56.93 56.13 2jec s PHE 130 Cb -0.08 -0.45 0.05 0.00 -0.63 0.00 0.00 43.02 41.92 2jec s PHE 130 CO -0.03 -0.11 0.18 0.45 -0.05 0.00 0.00 175.22 175.66 2jec s SER 131 N -2.14 0.80 -0.27 1.98 0.15 -1.26 -1.32 113.70 111.63 2jec s SER 131 Ca -0.02 0.30 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 2jec s SER 131 Cb -0.04 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 2jec s SER 131 CO -0.02 -0.25 0.02 -0.36 1.20 0.00 0.00 173.24 173.83 2jec s PHE 132 N 2.31 3.11 -1.31 3.44 0.08 0.52 -4.93 117.98 121.21 2jec s PHE 132 Ca 0.03 -1.23 0.17 0.00 0.12 0.00 0.00 56.93 56.02 2jec s PHE 132 Cb -0.12 -2.17 -0.07 0.00 -0.57 0.00 0.00 43.02 40.09 2jec s PHE 132 CO -0.07 -0.64 0.83 0.09 -0.10 0.00 0.00 175.22 175.33 2jec n ASN 133 N 4.78 1.38 -3.68 1.36 3.02 -1.26 -0.49 115.26 120.37 2jec n ASN 133 Ca -0.15 -1.19 -0.14 0.00 -0.03 0.00 0.00 54.58 53.06 2jec n ASN 133 Cb 0.48 0.66 -0.08 0.00 -0.61 0.00 0.00 39.78 40.22 2jec n ASN 133 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2jec s GLN 134 N -2.22 0.72 -0.13 3.52 0.74 -1.26 -4.66 119.66 116.37 2jec s GLN 134 Ca 0.12 0.26 -0.02 0.00 0.05 0.00 0.00 55.36 55.77 2jec s GLN 134 Cb 0.14 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.55 2jec s GLN 134 CO 0.53 -0.17 -0.06 -0.06 -0.55 0.00 0.00 175.29 174.98 2jec s PHE 135 N -0.65 2.97 0.57 1.67 0.40 0.16 -5.04 117.98 118.06 2jec s PHE 135 Ca -0.07 -0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 55.81 2jec s PHE 135 Cb -0.03 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 2jec s PHE 135 CO 0.04 0.03 1.08 0.45 0.70 0.00 0.00 175.22 177.53 2jec s SER 136 N 0.05 5.79 0.31 1.36 0.15 -1.26 -4.39 113.70 115.71 2jec s SER 136 Ca -0.01 1.97 0.03 0.00 0.70 0.00 0.00 55.95 58.64 2jec s SER 136 Cb -0.14 -2.55 0.62 0.00 -1.71 0.00 0.00 66.02 62.23 2jec s SER 136 CO 0.03 -1.16 1.89 1.56 1.20 0.00 0.00 173.24 176.75 2jec h GLN 137 N 0.84 0.90 -3.21 5.44 1.08 -1.91 -3.27 115.11 114.97 2jec h GLN 137 Ca -0.48 -0.05 -0.63 0.00 -1.45 0.00 0.00 58.65 56.03 2jec h GLN 137 Cb 1.24 -0.20 -0.41 0.00 -0.05 0.00 0.00 27.48 28.05 2jec h GLN 137 CO 0.57 0.59 -0.65 1.21 -0.95 0.00 0.00 178.83 179.60 2jec s ASN 138 N -5.90 4.17 -0.86 1.46 3.04 -1.26 -4.78 114.94 110.80 2jec s ASN 138 Ca -0.11 -3.07 -0.21 0.00 0.04 0.00 0.00 52.86 49.51 2jec s ASN 138 Cb 0.21 -1.47 0.09 0.00 -1.54 0.00 0.00 41.25 38.54 2jec s ASN 138 CO 0.80 -0.21 1.17 -2.16 -3.04 0.00 0.00 177.10 173.66 2jec s PRO 139 N -0.33 3.44 0.20 0.43 0.04 -1.24 -4.82 135.00 132.71 2jec s PRO 139 Ca 0.19 -1.24 0.22 0.00 0.04 0.00 0.00 61.00 60.20 2jec s PRO 139 Cb -0.21 -4.78 0.90 0.00 0.04 0.00 0.00 34.50 30.45 2jec s PRO 139 CO -0.03 -1.92 1.67 1.63 0.04 0.00 0.00 177.00 178.39 2jec n LYS 140 N 7.63 0.15 -0.15 4.56 5.02 -1.26 -1.84 118.16 132.28 2jec n LYS 140 Ca 0.17 0.37 0.10 0.00 -2.02 0.00 0.00 58.31 56.92 2jec n LYS 140 Cb 0.49 -1.78 0.29 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.07 2.29 -4.43 4.39 5.68 -1.26 -4.86 116.55 116.28 2jec n ASP 141 Ca 0.03 -1.86 -0.32 0.00 -0.50 0.00 0.00 54.79 52.13 2jec n ASP 141 Cb 0.23 -0.20 -0.14 0.00 -1.14 0.00 0.00 41.12 39.88 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 -1.38 2.58 -0.49 -2.12 1.43 -0.77 -0.32 118.68 117.62 2jec s LEU 142 Ca 0.33 -0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 2jec s LEU 142 Cb 0.18 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.96 2jec s LEU 142 CO 0.26 0.33 0.50 -0.63 0.23 0.00 0.00 176.35 177.04 2jec s ILE 143 N -0.65 5.07 -0.09 -0.59 1.01 0.11 -4.87 121.20 121.19 2jec s ILE 143 Ca 0.10 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 2jec s ILE 143 Cb -0.11 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2jec s ILE 143 CO 0.00 -0.68 0.68 -0.76 0.00 0.00 0.00 174.94 174.18 2jec s LEU 144 N 2.09 4.29 0.01 2.97 1.43 -1.26 -0.63 118.68 127.58 2jec s LEU 144 Ca 0.09 1.11 0.06 0.00 -1.03 0.00 0.00 54.13 54.37 2jec s LEU 144 Cb -0.22 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2jec s LEU 144 CO 0.09 -0.13 -0.19 -1.10 0.23 0.00 0.00 176.35 175.25 2jec s GLN 145 N 0.96 1.41 7.24 1.70 -0.21 0.65 -4.99 119.66 126.42 2jec s GLN 145 Ca 0.35 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.95 2jec s GLN 145 Cb -0.17 -1.43 0.00 0.00 1.00 0.00 0.00 33.01 32.41 2jec s GLN 145 CO 0.16 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 2jec n GLY 146 N 2.25 2.68 0.25 3.09 0.00 -1.26 -1.22 105.19 110.98 2jec n GLY 146 Ca -0.16 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 5.11 0.79 -4.75 1.61 8.00 0.00 -4.93 116.55 122.39 2jec n ASP 147 Ca 0.00 -1.27 -0.41 0.00 0.71 0.00 0.00 54.79 53.82 2jec n ASP 147 Cb 0.00 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.00 3.65 0.06 2.24 0.00 -1.14 -4.53 121.76 120.04 2jec s ALA 148 Ca 0.43 1.38 -0.22 0.00 0.00 0.00 0.00 51.96 53.54 2jec s ALA 148 Cb 0.21 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.81 2jec s ALA 148 CO 0.35 -0.79 0.52 -0.59 0.00 0.00 0.00 175.76 175.25 2jec s PHE 149 N 0.01 -0.41 -0.09 0.00 -0.71 -0.51 -4.71 117.98 111.56 2jec s PHE 149 Ca 0.60 0.40 -0.14 0.00 -1.04 0.00 0.00 56.93 56.76 2jec s PHE 149 Cb -0.43 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 2jec s PHE 149 CO 0.44 -0.67 0.34 0.99 -1.34 0.00 0.00 175.22 174.98 2jec s THR 150 N -2.70 5.21 0.51 -4.49 2.01 -1.26 -0.14 115.64 114.78 2jec s THR 150 Ca -0.04 0.66 0.08 0.00 0.31 0.00 0.00 61.69 62.70 2jec s THR 150 Cb -0.00 -3.65 0.09 0.00 0.01 0.00 0.00 72.50 68.94 2jec s THR 150 CO -0.04 0.49 0.70 -0.90 -0.69 0.00 0.00 174.62 174.18 2jec n ASP 151 N 2.65 1.75 0.24 3.53 5.68 -0.10 -4.93 116.55 125.37 2jec n ASP 151 Ca -0.13 -2.28 0.12 0.00 -0.50 0.00 0.00 54.79 52.00 2jec n ASP 151 Cb 0.52 -0.38 0.58 0.00 -1.14 0.00 0.00 41.12 40.70 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 0.03 0.00 0.39 -1.12 4.64 -1.98 -2.64 113.55 112.88 2jec h SER 152 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2jec h SER 152 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2jec h SER 152 CO 0.33 0.15 -0.02 0.47 -0.87 0.00 0.00 176.83 176.89 2jec n ASP 153 N -3.37 0.13 0.00 4.97 8.00 -1.26 -4.90 116.55 120.12 2jec n ASP 153 Ca -0.00 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.05 2jec n ASP 153 Cb 0.36 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.22 0.50 3.91 0.44 0.00 -0.99 -4.94 105.19 105.33 2jec n GLY 154 Ca 0.17 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.77 6.22 -0.27 1.61 0.01 -1.26 0.40 114.94 118.88 2jec s ASN 155 Ca 0.00 0.17 -0.16 0.00 -0.71 0.00 0.00 52.86 52.16 2jec s ASN 155 Cb 0.00 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 2jec s ASN 155 CO 0.00 0.11 0.43 -0.22 -1.51 0.00 0.00 177.10 175.91 2jec s LEU 156 N -2.89 4.06 -0.39 0.60 2.96 -0.66 -0.93 118.68 121.44 2jec s LEU 156 Ca 0.34 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.47 2jec s LEU 156 Cb -0.12 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.07 2jec s LEU 156 CO 0.27 -0.23 0.26 -1.10 -1.32 0.00 0.00 176.35 174.23 2jec s GLN 157 N 2.17 3.01 0.33 1.98 -1.52 0.80 -0.04 119.66 126.38 2jec s GLN 157 Ca 0.17 -0.98 0.12 0.00 -1.95 0.00 0.00 55.36 52.72 2jec s GLN 157 Cb -0.16 -3.88 0.56 0.00 -0.22 0.00 0.00 33.01 29.31 2jec s GLN 157 CO 0.10 -0.69 1.73 -0.07 -0.25 0.00 0.00 175.29 176.11 2jec h LEU 158 N 8.55 0.00 -8.85 2.90 3.38 -1.52 -1.36 115.31 118.41 2jec h LEU 158 Ca -0.27 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.32 2jec h LEU 158 Cb 1.12 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 2jec h LEU 158 CO 0.70 0.48 -0.68 0.42 0.09 0.00 0.00 178.44 179.45 2jec s THR 159 N -3.92 1.15 0.22 0.22 -4.23 -1.26 -2.84 115.64 104.98 2jec s THR 159 Ca -0.02 -2.06 -0.32 0.00 -1.18 0.00 0.00 61.69 58.11 2jec s THR 159 Cb 0.14 -2.22 -0.13 0.00 1.34 0.00 0.00 72.50 71.62 2jec s THR 159 CO 0.74 -0.44 1.48 0.29 -0.54 0.00 0.00 174.62 176.16 2jec n LYS 160 N -0.38 2.15 -4.48 3.99 5.02 -1.26 -4.72 118.16 118.49 2jec n LYS 160 Ca -0.06 0.77 -0.21 0.00 -2.02 0.00 0.00 58.31 56.78 2jec n LYS 160 Cb 0.63 -2.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.02 2jec n LYS 160 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jec s VAL 161 N 0.24 1.15 1.26 -0.18 -7.23 -1.26 -1.90 120.40 112.48 2jec s VAL 161 Ca 0.71 -0.87 -0.20 0.00 -1.81 0.00 0.00 61.98 59.81 2jec s VAL 161 Cb -0.64 -1.01 0.31 0.00 0.56 0.00 0.00 36.38 35.60 2jec s VAL 161 CO 0.46 0.13 1.07 -0.94 -0.31 0.00 0.00 175.10 175.51 2jec s SER 162 N -0.85 0.43 0.56 4.85 1.04 0.26 -4.82 113.70 115.17 2jec s SER 162 Ca 0.03 0.69 0.28 0.00 0.48 0.00 0.00 55.95 57.43 2jec s SER 162 Cb -0.07 -0.96 1.67 0.00 0.10 0.00 0.00 66.02 66.75 2jec s SER 162 CO 0.01 -4.43 2.19 0.77 0.98 0.00 0.00 173.24 172.75 2jec h SER 163 N -2.79 0.00 -0.42 7.02 4.64 -2.02 -1.69 113.55 118.29 2jec h SER 163 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2jec h SER 163 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jec h SER 163 CO 0.33 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 174.79 2jec n SER 164 N -3.81 3.31 0.00 4.97 3.41 -1.26 -4.96 113.62 115.28 2jec n SER 164 Ca -0.03 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2jec n SER 164 Cb 0.14 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.49 0.87 3.72 5.00 0.00 -0.63 -5.07 105.19 110.55 2jec n GLY 165 Ca 0.20 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2jec n GLY 165 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jec s ASP 166 N -2.53 6.10 0.63 1.61 1.01 -1.26 -4.76 116.67 117.47 2jec s ASP 166 Ca 0.00 0.21 -0.18 0.00 0.71 0.00 0.00 52.55 53.29 2jec s ASP 166 Cb 0.00 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 2jec s ASP 166 CO 0.00 0.18 1.21 -2.16 0.21 0.00 0.00 175.17 174.62 2jec s PRO 167 N 0.33 2.74 0.10 8.23 0.04 -1.26 0.89 135.00 146.07 2jec s PRO 167 Ca 0.07 1.81 0.09 0.00 0.04 0.00 0.00 61.00 63.01 2jec s PRO 167 Cb -0.11 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2jec s PRO 167 CO -0.01 -1.38 -0.18 -0.65 0.04 0.00 0.00 177.00 174.82 2jec s GLN 168 N -3.51 1.85 0.91 4.56 -1.52 -0.80 -4.80 119.66 116.35 2jec s GLN 168 Ca 0.77 -1.14 -0.13 0.00 -1.95 0.00 0.00 55.36 52.91 2jec s GLN 168 Cb -0.30 -2.14 0.14 0.00 -0.22 0.00 0.00 33.01 30.49 2jec s GLN 168 CO 0.37 0.49 1.17 0.20 -0.25 0.00 0.00 175.29 177.27 2jec s GLY 169 N -2.03 1.60 -1.49 3.09 0.00 -1.26 -4.36 107.32 102.87 2jec s GLY 169 Ca 0.18 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.18 2jec s GLY 169 CO 0.09 -0.07 0.60 0.70 0.00 0.00 0.00 173.10 174.43 2jec n ASN 170 N -3.71 -1.67 -4.58 1.64 4.13 0.78 -4.84 115.26 107.01 2jec n ASN 170 Ca 0.08 -0.97 -0.30 0.00 1.68 0.00 0.00 54.58 55.07 2jec n ASN 170 Cb 0.60 -3.14 -0.10 0.00 -1.54 0.00 0.00 39.78 35.60 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 -3.96 4.42 -0.01 6.41 0.15 -1.19 -4.96 113.70 114.56 2jec s SER 171 Ca 0.27 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 2jec s SER 171 Cb -0.15 -0.87 0.01 0.00 -1.71 0.00 0.00 66.02 63.30 2jec s SER 171 CO 0.89 0.20 0.02 0.54 1.20 0.00 0.00 173.24 176.09 2jec s VAL 172 N -1.17 -0.02 -0.05 4.45 0.11 -1.26 -1.36 120.40 121.10 2jec s VAL 172 Ca 0.21 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.12 2jec s VAL 172 Cb -0.11 -0.05 0.04 0.00 -1.53 0.00 0.00 36.38 34.73 2jec s VAL 172 CO 0.12 0.02 0.43 -0.83 -3.33 0.00 0.00 175.10 171.52 2jec s GLY 173 N 0.30 -0.30 0.06 6.54 0.00 -0.83 -0.82 107.32 112.27 2jec s GLY 173 Ca -0.02 0.76 -0.05 0.00 0.00 0.00 0.00 44.72 45.41 2jec s GLY 173 CO -0.01 0.51 0.07 0.50 0.00 0.00 0.00 173.10 174.18 2jec s ARG 174 N -1.01 0.66 -0.05 2.90 0.52 -0.36 -1.29 118.95 120.31 2jec s ARG 174 Ca -0.11 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 2jec s ARG 174 Cb -0.04 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.71 2jec s ARG 174 CO 0.05 -0.16 0.02 0.00 0.02 0.00 0.00 175.30 175.23 2jec s ALA 175 N -3.39 0.49 -0.07 2.13 0.00 -0.46 -0.25 121.76 120.21 2jec s ALA 175 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 2jec s ALA 175 Cb 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2jec s ALA 175 CO -0.08 -0.40 -0.02 -0.51 0.00 0.00 0.00 175.76 174.75 2jec s LEU 176 N 1.86 3.47 0.31 0.00 1.43 0.20 -0.99 118.68 124.97 2jec s LEU 176 Ca 0.02 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 2jec s LEU 176 Cb -0.12 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 2jec s LEU 176 CO -0.04 0.37 1.37 0.12 0.23 0.00 0.00 176.35 178.39 2jec s PHE 177 N -0.88 2.98 0.17 0.29 5.36 -0.27 0.08 117.98 125.71 2jec s PHE 177 Ca 0.14 1.28 -0.14 0.00 -0.96 0.00 0.00 56.93 57.25 2jec s PHE 177 Cb -0.11 -3.76 0.07 0.00 -0.34 0.00 0.00 43.02 38.88 2jec s PHE 177 CO 0.03 -2.22 1.81 -0.92 -1.46 0.00 0.00 175.22 172.46 2jec h TYR 178 N 3.80 0.72 -3.45 10.12 5.03 -1.01 -3.43 116.97 128.75 2jec h TYR 178 Ca -0.48 0.00 -0.54 0.00 2.58 0.00 0.00 58.73 60.29 2jec h TYR 178 Cb 1.23 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 39.24 2jec h TYR 178 CO 0.57 0.49 0.23 0.00 -1.32 0.00 0.00 178.16 178.13 2jec s ALA 179 N -6.01 3.30 0.49 1.82 0.00 -1.26 -5.00 121.76 115.11 2jec s ALA 179 Ca -0.13 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.99 2jec s ALA 179 Cb 0.12 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 2jec s ALA 179 CO 0.75 -0.02 0.94 -2.30 0.00 0.00 0.00 175.76 175.14 2jec n PRO 180 N 3.07 1.13 -4.55 0.00 -0.02 -1.26 -4.80 135.00 128.56 2jec n PRO 180 Ca 0.00 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 2jec n PRO 180 Cb 0.50 -2.05 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.40 3.58 -0.35 -1.45 1.01 -0.01 -4.95 120.40 116.82 2jec s VAL 181 Ca 0.68 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 2jec s VAL 181 Cb -0.50 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2jec s VAL 181 CO 0.54 0.51 0.76 -2.28 0.00 0.00 0.00 175.10 174.63 2jec s HIS 182 N 0.27 3.13 -0.40 5.22 2.46 -1.26 -1.42 115.29 123.29 2jec s HIS 182 Ca -0.05 0.56 0.09 0.00 0.47 0.00 0.00 55.06 56.13 2jec s HIS 182 Cb -0.15 -3.33 -0.10 0.00 -0.13 0.00 0.00 32.58 28.87 2jec s HIS 182 CO 0.04 -0.69 0.37 0.44 -2.47 0.00 0.00 174.74 172.43 2jec n ILE 183 N 5.72 0.00 -3.50 0.89 -5.35 0.68 -4.69 119.36 113.11 2jec n ILE 183 Ca 0.02 -0.29 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 2jec n ILE 183 Cb 0.48 0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 39.34 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 -1.86 -0.47 0.08 4.28 -0.11 -1.20 -4.77 118.94 114.88 2jec s TRP 184 Ca 0.03 0.22 -0.16 0.00 1.22 0.00 0.00 56.10 57.42 2jec s TRP 184 Cb 0.07 0.58 0.03 0.00 -1.50 0.00 0.00 33.47 32.65 2jec s TRP 184 CO 0.36 -0.90 0.36 -2.00 -4.62 0.00 0.00 176.95 170.16 2jec s GLU 185 N -3.75 0.94 0.22 5.86 2.12 -1.26 -4.79 118.70 118.04 2jec s GLU 185 Ca 0.03 -0.57 -0.10 0.00 0.36 0.00 0.00 54.97 54.69 2jec s GLU 185 Cb -0.02 0.41 0.32 0.00 0.26 0.00 0.00 34.13 35.11 2jec s GLU 185 CO -0.09 -0.33 1.68 1.57 -0.54 0.00 0.00 175.26 177.54 2jec h LYS 186 N 2.81 0.18 0.00 4.30 5.09 -2.03 -1.97 116.57 124.95 2jec h LYS 186 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.40 2jec h LYS 186 Cb 1.22 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.51 2jec h LYS 186 CO 0.46 0.12 0.00 -1.13 -2.09 0.00 0.00 179.45 176.81 2jec n SER 187 N -5.21 0.00 -4.77 7.07 3.41 -1.26 -4.96 113.62 107.90 2jec n SER 187 Ca 0.10 -0.80 -0.38 0.00 -0.26 0.00 0.00 58.87 57.53 2jec n SER 187 Cb 0.36 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 3.06 -0.23 7.33 0.00 -0.74 -2.70 121.76 126.48 2jec s ALA 188 Ca 0.38 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 2jec s ALA 188 Cb 0.17 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 2jec s ALA 188 CO 0.29 -0.75 -0.29 0.28 0.00 0.00 0.00 175.76 175.29 2jec n VAL 189 N -0.28 1.26 -3.75 0.00 0.31 0.13 -4.83 118.33 111.17 2jec n VAL 189 Ca 0.06 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.93 2jec n VAL 189 Cb 0.46 -1.79 -0.10 0.00 -0.91 0.00 0.00 33.84 31.50 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 -2.42 0.00 0.06 2.52 0.11 -1.03 -4.89 120.40 114.76 2jec s VAL 190 Ca -0.32 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 58.79 2jec s VAL 190 Cb 0.12 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 2jec s VAL 190 CO 0.41 -0.00 -0.18 0.00 -3.33 0.00 0.00 175.10 172.00 2jec s ALA 191 N 0.17 1.50 0.00 1.54 0.00 -1.26 -0.97 121.76 122.73 2jec s ALA 191 Ca -0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2jec s ALA 191 Cb -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.90 2jec s ALA 191 CO 0.01 0.29 0.33 -1.54 0.00 0.00 0.00 175.76 174.85 2jec s SER 192 N -1.49 -0.20 0.04 0.00 1.04 -0.47 -0.87 113.70 111.75 2jec s SER 192 Ca 0.04 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2jec s SER 192 Cb -0.09 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2jec s SER 192 CO 0.02 -0.51 -0.04 0.72 0.98 0.00 0.00 173.24 174.42 2jec s PHE 193 N -1.68 0.49 -0.01 5.02 -0.12 -0.73 -1.14 117.98 119.81 2jec s PHE 193 Ca -0.11 -0.76 0.02 0.00 -0.05 0.00 0.00 56.93 56.03 2jec s PHE 193 Cb -0.04 -0.33 -0.00 0.00 -0.63 0.00 0.00 43.02 42.02 2jec s PHE 193 CO 0.02 -0.23 -0.05 0.34 -0.05 0.00 0.00 175.22 175.25 2jec s ASP 194 N -2.17 0.65 -0.02 1.98 2.15 0.87 -1.65 116.67 118.47 2jec s ASP 194 Ca -0.04 -0.10 -0.07 0.00 0.43 0.00 0.00 52.55 52.77 2jec s ASP 194 Cb -0.02 -0.09 0.01 0.00 -0.30 0.00 0.00 42.92 42.52 2jec s ASP 194 CO -0.04 0.06 0.16 0.00 -0.17 0.00 0.00 175.17 175.18 2jec s ALA 195 N -0.08 -0.39 0.01 3.66 0.00 -0.03 -0.50 121.76 124.43 2jec s ALA 195 Ca 0.01 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2jec s ALA 195 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2jec s ALA 195 CO -0.00 -0.17 -0.04 0.95 0.00 0.00 0.00 175.76 176.50 2jec s THR 196 N -0.85 0.30 0.02 0.00 -4.23 -0.46 -0.43 115.64 110.00 2jec s THR 196 Ca -0.09 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 59.93 2jec s THR 196 Cb -0.05 -0.32 -0.01 0.00 1.34 0.00 0.00 72.50 73.46 2jec s THR 196 CO 0.01 -0.10 0.04 0.72 -0.54 0.00 0.00 174.62 174.75 2jec s PHE 197 N -0.55 0.19 0.02 3.99 -0.12 -0.87 -0.23 117.98 120.40 2jec s PHE 197 Ca -0.04 -0.42 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 2jec s PHE 197 Cb -0.04 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 2jec s PHE 197 CO -0.00 -0.26 -0.05 0.95 -0.05 0.00 0.00 175.22 175.81 2jec s THR 198 N -1.72 3.75 0.03 -4.49 -4.23 -0.57 -1.29 115.64 107.12 2jec s THR 198 Ca -0.13 -0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 2jec s THR 198 Cb -0.07 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 2jec s THR 198 CO -0.01 0.35 0.03 0.72 -0.54 0.00 0.00 174.62 175.17 2jec s PHE 199 N -1.05 0.27 -0.18 3.99 -0.71 -0.14 -1.24 117.98 118.92 2jec s PHE 199 Ca 0.18 -0.59 -0.02 0.00 -1.04 0.00 0.00 56.93 55.47 2jec s PHE 199 Cb -0.11 -0.20 0.05 0.00 -1.21 0.00 0.00 43.02 41.55 2jec s PHE 199 CO 0.09 -0.29 0.01 -1.17 -1.34 0.00 0.00 175.22 172.52 2jec s LEU 200 N -1.95 1.31 -0.28 -1.99 2.96 0.46 -0.60 118.68 118.59 2jec s LEU 200 Ca -0.08 -0.74 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 2jec s LEU 200 Cb -0.03 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 45.98 2jec s LEU 200 CO -0.04 -0.27 0.05 -0.63 -1.32 0.00 0.00 176.35 174.15 2jec s ILE 201 N 1.79 3.85 0.12 6.68 1.01 -1.26 -2.70 121.20 130.70 2jec s ILE 201 Ca -0.00 -0.63 0.10 0.00 0.00 0.00 0.00 60.65 60.12 2jec s ILE 201 Cb -0.16 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2jec s ILE 201 CO -0.07 0.16 -0.23 -0.54 0.00 0.00 0.00 174.94 174.26 2jec s LYS 202 N 1.50 1.56 -0.19 2.79 1.02 -1.25 -0.21 119.74 124.96 2jec s LYS 202 Ca 0.03 -1.28 -0.16 0.00 0.02 0.00 0.00 55.97 54.58 2jec s LYS 202 Cb -0.16 -1.99 0.05 0.00 -0.52 0.00 0.00 37.83 35.21 2jec s LYS 202 CO 0.01 0.46 0.49 0.45 -0.92 0.00 0.00 175.35 175.84 2jec s SER 203 N -2.10 -0.53 0.28 2.83 0.15 -1.26 -0.36 113.70 112.72 2jec s SER 203 Ca 0.16 0.99 0.25 0.00 0.70 0.00 0.00 55.95 58.05 2jec s SER 203 Cb -0.10 0.98 0.55 0.00 -1.71 0.00 0.00 66.02 65.74 2jec s SER 203 CO 0.08 -0.18 1.64 1.55 1.20 0.00 0.00 173.24 177.53 2jec h PRO 204 N 5.68 0.00 -6.83 5.44 0.13 -1.97 -3.47 132.00 130.99 2jec h PRO 204 Ca -0.29 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.34 2jec h PRO 204 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2jec h PRO 204 CO 0.21 0.00 0.48 -0.51 -0.23 0.00 0.00 178.00 177.95 2jec s ASP 205 N -5.16 7.17 0.31 1.44 1.01 -1.26 -4.94 116.67 115.24 2jec s ASP 205 Ca 0.08 2.28 0.04 0.00 0.71 0.00 0.00 52.55 55.66 2jec s ASP 205 Cb 0.10 -2.62 0.51 0.00 1.01 0.00 0.00 42.92 41.92 2jec s ASP 205 CO 0.65 -0.21 1.79 -0.09 0.21 0.00 0.00 175.17 177.51 2jec h ARG 206 N 3.63 0.46 -4.52 8.23 2.43 -1.96 -3.34 114.38 119.31 2jec h ARG 206 Ca -0.47 -0.14 -0.68 0.00 -0.81 0.00 0.00 59.98 57.88 2jec h ARG 206 Cb 1.21 -0.05 -0.37 0.00 -0.42 0.00 0.00 29.97 30.35 2jec h ARG 206 CO 0.66 0.61 -0.62 -1.21 -1.51 0.00 0.00 179.97 177.91 2jec s GLU 207 N -4.67 1.79 0.85 0.20 2.02 -1.26 -5.12 118.70 112.53 2jec s GLU 207 Ca -0.07 -1.89 -0.12 0.00 0.02 0.00 0.00 54.97 52.92 2jec s GLU 207 Cb 0.14 -3.42 0.10 0.00 0.10 0.00 0.00 34.13 31.06 2jec s GLU 207 CO 0.78 -1.02 1.10 -1.25 0.02 0.00 0.00 175.26 174.89 2jec s PRO 208 N 0.97 1.61 0.10 0.39 0.04 -1.26 -4.55 135.00 132.31 2jec s PRO 208 Ca 0.10 0.62 -0.25 0.00 0.04 0.00 0.00 61.00 61.51 2jec s PRO 208 Cb -0.21 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.54 2jec s PRO 208 CO -0.06 -1.95 0.73 0.00 0.04 0.00 0.00 177.00 175.77 2jec s ALA 209 N -3.11 -1.67 -0.05 8.56 0.00 -1.22 -4.27 121.76 120.00 2jec s ALA 209 Ca 0.62 0.64 0.09 0.00 0.00 0.00 0.00 51.96 53.31 2jec s ALA 209 Cb -0.16 0.69 -0.14 0.00 0.00 0.00 0.00 23.12 23.52 2jec s ALA 209 CO 0.55 -0.76 0.14 -0.25 0.00 0.00 0.00 175.76 175.44 2jec n ASP 210 N -0.34 2.66 0.00 0.00 8.00 0.05 -2.12 116.55 124.81 2jec n ASP 210 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2jec n ASP 210 Cb 0.63 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.88 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 2.14 -0.41 3.14 0.44 0.00 -1.21 -2.33 105.19 106.96 2jec n GLY 211 Ca -0.08 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.61 1.13 0.14 -0.61 1.01 -0.61 -2.14 121.20 118.51 2jec s ILE 212 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.82 2jec s ILE 212 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 2jec s ILE 212 CO 0.00 0.09 -0.17 0.42 0.00 0.00 0.00 174.94 175.28 2jec s THR 213 N -0.71 1.64 -0.17 2.92 -4.23 0.27 0.25 115.64 115.62 2jec s THR 213 Ca 0.03 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.65 2jec s THR 213 Cb -0.07 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 2jec s THR 213 CO 0.01 -0.32 0.11 0.12 -0.54 0.00 0.00 174.62 174.00 2jec s PHE 214 N -1.97 3.42 0.12 3.99 5.36 -0.65 -1.49 117.98 126.76 2jec s PHE 214 Ca 0.12 0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 56.41 2jec s PHE 214 Cb -0.06 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 2jec s PHE 214 CO 0.05 0.40 0.03 -0.59 -1.46 0.00 0.00 175.22 173.64 2jec s PHE 215 N -0.09 0.85 -0.02 10.12 -0.71 0.16 -1.11 117.98 127.18 2jec s PHE 215 Ca 0.09 -1.16 0.02 0.00 -1.04 0.00 0.00 56.93 54.84 2jec s PHE 215 Cb -0.12 -0.50 0.00 0.00 -1.21 0.00 0.00 43.02 41.20 2jec s PHE 215 CO 0.00 -0.43 -0.07 0.42 -1.34 0.00 0.00 175.22 173.80 2jec s ILE 216 N -3.95 0.59 0.23 -4.49 1.01 0.92 -0.86 121.20 114.65 2jec s ILE 216 Ca 0.20 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.40 2jec s ILE 216 Cb 0.07 -0.53 0.03 0.00 0.01 0.00 0.00 42.46 42.04 2jec s ILE 216 CO -0.01 0.19 0.60 0.00 0.00 0.00 0.00 174.94 175.72 2jec s ALA 217 N 0.19 -1.03 0.37 9.38 0.00 -0.69 -0.99 121.76 128.99 2jec s ALA 217 Ca -0.02 -0.25 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 2jec s ALA 217 Cb -0.07 0.88 -0.14 0.00 0.00 0.00 0.00 23.12 23.79 2jec s ALA 217 CO -0.00 -0.89 0.47 0.27 0.00 0.00 0.00 175.76 175.61 2jec n ASN 218 N -0.39 -1.23 -0.18 0.00 6.94 -1.18 -0.84 115.26 118.38 2jec n ASN 218 Ca -0.08 0.94 0.06 0.00 -0.02 0.00 0.00 54.58 55.48 2jec n ASN 218 Cb 0.61 -1.05 0.34 0.00 -2.36 0.00 0.00 39.78 37.33 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 0.81 1.04 -0.29 5.53 1.35 -1.84 -2.06 112.91 117.47 2jec h THR 219 Ca -0.38 -0.27 -0.09 0.00 -0.55 0.00 0.00 66.41 65.13 2jec h THR 219 Cb 1.41 0.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 2jec h THR 219 CO 0.52 0.14 0.11 -0.90 -0.25 0.00 0.00 175.52 175.15 2jec n ASP 220 N -4.47 3.01 -4.77 5.36 5.75 -1.26 -4.73 116.55 115.43 2jec n ASP 220 Ca 0.10 -2.46 -0.41 0.00 -0.01 0.00 0.00 54.79 52.01 2jec n ASP 220 Cb 0.20 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2jec n ASP 220 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2jec s THR 221 N -1.45 2.06 0.07 2.12 -1.32 -0.77 -5.03 115.64 111.31 2jec s THR 221 Ca 0.21 0.06 -0.01 0.00 -1.21 0.00 0.00 61.69 60.73 2jec s THR 221 Cb 0.17 -3.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.08 2jec s THR 221 CO 0.05 0.01 -0.00 -0.94 -2.21 0.00 0.00 174.62 171.53 2jec s SER 222 N -0.00 0.43 -0.14 8.08 1.04 -1.26 -5.10 113.70 116.75 2jec s SER 222 Ca 0.55 -1.03 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 2jec s SER 222 Cb -0.47 0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 2jec s SER 222 CO 0.60 -0.63 2.08 -0.38 0.98 0.00 0.00 173.24 175.88 2jec n ILE 223 N 0.06 0.49 -2.05 -1.02 5.41 -1.26 -4.94 119.36 116.05 2jec n ILE 223 Ca -0.12 -0.27 -0.36 0.00 1.00 0.00 0.00 62.75 63.00 2jec n ILE 223 Cb 0.62 -2.24 0.03 0.00 -0.71 0.00 0.00 39.64 37.34 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 5.35 3.03 0.18 0.38 0.02 -1.26 -4.95 135.00 137.75 2jec s PRO 224 Ca 0.97 1.79 -0.33 0.00 0.02 0.00 0.00 61.00 63.46 2jec s PRO 224 Cb -0.51 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 31.95 2jec s PRO 224 CO 0.42 -1.15 1.67 0.45 -0.33 0.00 0.00 177.00 178.06 2jec n SER 225 N -1.55 3.61 0.00 2.53 2.88 -1.26 -2.95 113.62 116.88 2jec n SER 225 Ca 0.13 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2jec n SER 225 Cb 0.50 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 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 3.75 0.49 1.29 0.46 0.00 -1.26 -4.61 105.19 105.30 2jec n GLY 226 Ca 0.17 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 1.41 3.76 -4.50 1.61 3.41 -1.15 -4.76 113.62 113.40 2jec n SER 227 Ca 0.00 -2.18 -0.29 0.00 -0.26 0.00 0.00 58.87 56.14 2jec n SER 227 Cb 0.00 -0.48 0.20 0.00 -0.26 0.00 0.00 64.21 63.67 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 -0.92 1.56 0.00 5.00 0.00 -1.26 -0.35 107.32 111.35 2jec s GLY 228 Ca 0.43 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.66 2jec s GLY 228 CO 0.25 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.15 2jec n GLY 229 N -0.97 2.30 0.20 0.20 0.00 -1.19 -1.94 105.19 103.79 2jec n GLY 229 Ca 0.06 0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.02 1.61 0.11 -1.89 -2.06 114.38 112.13 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 -0.08 1.28 0.10 0.00 0.00 179.97 181.27 2jec n LEU 231 N -2.48 1.83 -0.68 0.08 4.77 -0.82 -4.95 117.00 114.75 2jec n LEU 231 Ca -0.01 -0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 2jec n LEU 231 Cb 0.12 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2jec n LEU 231 CO 0.16 0.31 -0.08 0.18 -1.33 0.00 0.00 177.39 176.63 2jec n LEU 232 N 0.31 -0.36 -0.29 2.23 4.77 -0.78 -1.76 117.00 121.12 2jec n LEU 232 Ca 0.16 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 56.32 2jec n LEU 232 Cb 0.42 -2.09 -0.02 0.00 -2.33 0.00 0.00 43.42 39.41 2jec n LEU 232 CO 0.19 -0.76 -0.04 0.61 -1.33 0.00 0.00 177.39 176.06 2jec n GLY 233 N -0.74 0.67 0.04 -0.72 0.00 0.52 -4.19 105.19 100.78 2jec n GLY 233 Ca -0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.44 0.43 -4.19 0.99 4.77 -0.72 -4.43 117.00 113.41 2jec n LEU 234 Ca -0.04 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.70 2jec n LEU 234 Cb 0.18 0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.25 2jec n LEU 234 CO 0.06 0.28 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.54 2jec s PHE 235 N -2.21 1.51 -0.78 -1.77 0.08 -1.19 -4.76 117.98 108.86 2jec s PHE 235 Ca -0.06 -0.34 0.27 0.00 0.12 0.00 0.00 56.93 56.92 2jec s PHE 235 Cb 0.03 -0.91 0.88 0.00 -0.57 0.00 0.00 43.02 42.45 2jec s PHE 235 CO 0.33 0.05 1.80 -0.35 -0.10 0.00 0.00 175.22 176.95 2jec n PRO 236 N 2.04 0.22 -4.00 0.24 -0.04 -1.26 -4.08 135.00 128.12 2jec n PRO 236 Ca -0.17 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 2jec n PRO 236 Cb 0.54 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 2jec n PRO 236 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jec s ASP 237 N -4.27 0.58 -0.09 3.54 1.47 -1.26 -4.75 116.67 111.88 2jec s ASP 237 Ca 0.11 -1.34 0.16 0.00 1.18 0.00 0.00 52.55 52.66 2jec s ASP 237 Cb 0.13 0.71 0.62 0.00 -0.34 0.00 0.00 42.92 44.05 2jec s ASP 237 CO 0.59 -1.39 1.51 0.00 0.68 0.00 0.00 175.17 176.55 2jec n ALA 238 N -0.54 3.00 0.33 2.11 0.00 -1.26 -4.70 120.51 119.45 2jec n ALA 238 Ca -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 53.44 52.10 2jec n ALA 238 Cb 0.61 -1.02 0.16 0.00 0.00 0.00 0.00 19.45 19.19 2jec n ALA 238 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59