#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj1 n LEU 25 N 0.00 2.57 -0.01 -2.67 4.77 -1.26 -2.73 117.00 117.67 2jj1 n LEU 25 Ca 0.00 -1.29 -0.19 0.00 -0.03 0.00 0.00 56.01 54.50 2jj1 n LEU 25 Cb 0.00 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 2jj1 n LEU 25 CO 0.00 0.64 -0.83 -0.62 -1.33 0.00 0.00 177.39 175.25 2jj1 n GLU 26 N 0.89 0.73 0.00 3.23 1.02 -1.26 -0.26 120.64 125.00 2jj1 n GLU 26 Ca 0.16 0.25 0.05 0.00 -0.02 0.00 0.00 57.16 57.60 2jj1 n GLU 26 Cb 0.41 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 2jj1 n GLU 26 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jj1 n GLU 27 N -3.40 3.56 -4.39 3.49 -0.58 -1.26 -1.99 120.64 116.07 2jj1 n GLU 27 Ca -0.31 -0.07 -0.21 0.00 -0.42 0.00 0.00 57.16 56.14 2jj1 n GLU 27 Cb 1.05 -0.98 -0.09 0.00 -0.57 0.00 0.00 31.44 30.85 2jj1 n GLU 27 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jj1 s THR 28 N -1.86 0.37 0.25 2.62 -4.23 -1.11 -1.96 115.64 109.73 2jj1 s THR 28 Ca 0.04 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.33 2jj1 s THR 28 Cb 0.08 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.49 2jj1 s THR 28 CO 0.39 0.00 0.74 -0.83 -0.54 0.00 0.00 174.62 174.38 2jj1 s GLY 29 N -3.46 -0.16 0.02 3.99 0.00 0.45 0.44 107.32 108.60 2jj1 s GLY 29 Ca 0.32 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.91 2jj1 s GLY 29 CO 0.19 -0.05 -0.06 0.50 0.00 0.00 0.00 173.10 173.67 2jj1 s ARG 30 N -3.81 2.52 -0.04 2.90 0.52 -0.49 0.36 118.95 120.92 2jj1 s ARG 30 Ca 0.10 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 2jj1 s ARG 30 Cb -0.05 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 2jj1 s ARG 30 CO 0.04 0.59 1.47 0.08 0.02 0.00 0.00 175.30 177.50 2jj1 s VAL 31 N -1.05 3.71 -0.08 3.52 1.01 0.08 -1.03 120.40 126.56 2jj1 s VAL 31 Ca 0.18 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.96 2jj1 s VAL 31 Cb -0.11 -3.65 -0.29 0.00 0.00 0.00 0.00 36.38 32.33 2jj1 s VAL 31 CO 0.09 -0.04 0.76 -0.07 0.00 0.00 0.00 175.10 175.84 2jj1 h LEU 32 N 9.12 0.37 -7.23 3.92 3.38 -0.40 0.53 115.31 124.99 2jj1 h LEU 32 Ca -0.37 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.60 2jj1 h LEU 32 Cb 1.17 -0.12 -0.20 0.00 0.09 0.00 0.00 40.66 41.59 2jj1 h LEU 32 CO 0.93 1.41 -0.05 -0.94 0.09 0.00 0.00 178.44 179.88 2jj1 s SER 33 N -6.90 -0.47 -0.01 -0.43 1.04 -1.11 -4.77 113.70 101.06 2jj1 s SER 33 Ca -0.16 0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2jj1 s SER 33 Cb 0.02 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.76 2jj1 s SER 33 CO 0.79 -0.44 0.01 -0.51 0.98 0.00 0.00 173.24 174.07 2jj1 s ILE 34 N -0.83 0.02 0.00 -1.02 1.10 -1.26 -0.05 121.20 119.17 2jj1 s ILE 34 Ca -0.09 0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 2jj1 s ILE 34 Cb -0.03 -0.08 0.00 0.00 0.15 0.00 0.00 42.46 42.50 2jj1 s ILE 34 CO 0.05 0.05 0.00 0.61 -2.11 0.00 0.00 174.94 173.55 2jj1 n GLY 35 N 3.56 2.73 2.99 1.50 0.00 -0.31 -4.99 105.19 110.67 2jj1 n GLY 35 Ca -0.19 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2jj1 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jj1 n ASP 36 N 0.00 -5.96 -0.38 1.61 8.00 -1.26 -1.62 116.55 116.95 2jj1 n ASP 36 Ca 0.00 -0.27 -0.05 0.00 0.71 0.00 0.00 54.79 55.18 2jj1 n ASP 36 Cb 0.00 -4.83 -0.02 0.00 -0.02 0.00 0.00 41.12 36.24 2jj1 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jj1 n GLY 37 N -1.46 0.73 3.22 0.44 0.00 -1.26 -5.02 105.19 101.84 2jj1 n GLY 37 Ca -0.12 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2jj1 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj1 s ILE 38 N -2.03 2.41 -0.22 -0.61 -1.09 -0.64 -1.87 121.20 117.15 2jj1 s ILE 38 Ca 0.00 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 2jj1 s ILE 38 Cb 0.00 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.87 2jj1 s ILE 38 CO 0.00 0.53 -0.05 0.00 -1.23 0.00 0.00 174.94 174.19 2jj1 s ALA 39 N 0.89 2.79 -0.28 9.38 0.00 -0.15 -1.16 121.76 133.22 2jj1 s ALA 39 Ca -0.04 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.51 2jj1 s ALA 39 Cb -0.15 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.28 2jj1 s ALA 39 CO -0.02 -0.43 0.78 1.03 0.00 0.00 0.00 175.76 177.11 2jj1 s ARG 40 N 1.47 4.04 -0.15 0.00 1.81 0.93 -0.63 118.95 126.41 2jj1 s ARG 40 Ca 0.06 0.67 -0.02 0.00 -1.72 0.00 0.00 55.73 54.71 2jj1 s ARG 40 Cb -0.14 -3.70 -0.02 0.00 -0.45 0.00 0.00 34.95 30.64 2jj1 s ARG 40 CO -0.04 -0.60 -0.08 0.08 -0.68 0.00 0.00 175.30 173.98 2jj1 s VAL 41 N 2.87 3.42 -0.16 3.52 1.01 -0.72 0.41 120.40 130.75 2jj1 s VAL 41 Ca 0.32 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 2jj1 s VAL 41 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2jj1 s VAL 41 CO 0.11 0.50 0.61 -2.28 0.00 0.00 0.00 175.10 174.03 2jj1 s HIS 42 N 0.52 3.44 0.00 5.22 2.46 -0.20 -0.36 115.29 126.37 2jj1 s HIS 42 Ca -0.06 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.45 2jj1 s HIS 42 Cb -0.15 -2.74 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 2jj1 s HIS 42 CO 0.03 -0.05 0.00 0.41 -2.47 0.00 0.00 174.74 172.66 2jj1 n GLY 43 N 3.55 0.06 3.60 1.59 0.00 -1.26 -1.39 105.19 111.34 2jj1 n GLY 43 Ca -0.03 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 2jj1 n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jj1 n LEU 44 N 0.00 -3.55 0.13 0.99 4.77 0.17 -4.69 117.00 114.82 2jj1 n LEU 44 Ca 0.00 -0.84 0.03 0.00 -0.03 0.00 0.00 56.01 55.17 2jj1 n LEU 44 Cb 0.00 -2.72 0.42 0.00 -2.33 0.00 0.00 43.42 38.79 2jj1 n LEU 44 CO 0.00 0.37 0.91 0.03 -1.33 0.00 0.00 177.39 177.37 2jj1 h ARG 45 N -1.73 0.21 -0.62 3.23 2.47 -0.63 -2.71 114.38 114.60 2jj1 h ARG 45 Ca -0.62 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.05 2jj1 h ARG 45 Cb 1.35 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 2jj1 h ARG 45 CO 0.52 0.33 0.00 0.09 0.56 0.00 0.00 179.97 181.47 2jj1 n ASN 46 N -4.30 3.72 -4.77 7.04 3.02 -0.84 -4.96 115.26 114.16 2jj1 n ASN 46 Ca -0.01 -2.26 -0.40 0.00 -0.03 0.00 0.00 54.58 51.88 2jj1 n ASN 46 Cb 0.25 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2jj1 n ASN 46 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2jj1 s VAL 47 N -1.63 2.54 0.06 2.41 -7.23 -1.03 -5.01 120.40 110.52 2jj1 s VAL 47 Ca 0.41 0.49 -0.22 0.00 -1.81 0.00 0.00 61.98 60.85 2jj1 s VAL 47 Cb 0.25 -3.29 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 2jj1 s VAL 47 CO 0.22 0.07 0.66 -1.10 -0.31 0.00 0.00 175.10 174.64 2jj1 s GLN 48 N -2.24 4.38 -0.20 4.82 -0.21 -1.26 -5.02 119.66 119.92 2jj1 s GLN 48 Ca 0.57 0.89 -0.41 0.00 0.02 0.00 0.00 55.36 56.43 2jj1 s GLN 48 Cb -0.39 -3.31 -0.17 0.00 1.00 0.00 0.00 33.01 30.14 2jj1 s GLN 48 CO 0.50 0.45 1.52 0.00 -2.12 0.00 0.00 175.29 175.64 2jj1 n ALA 49 N 2.29 -1.15 -1.03 6.09 0.00 -1.26 -0.93 120.51 124.52 2jj1 n ALA 49 Ca -0.06 0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 2jj1 n ALA 49 Cb 0.50 -2.05 -0.00 0.00 0.00 0.00 0.00 19.45 17.89 2jj1 n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jj1 n GLU 50 N 3.83 -0.20 -2.29 0.00 1.02 0.12 -5.03 120.64 118.08 2jj1 n GLU 50 Ca 0.25 0.29 -0.33 0.00 -0.02 0.00 0.00 57.16 57.35 2jj1 n GLU 50 Cb 0.09 -3.66 -0.02 0.00 -0.02 0.00 0.00 31.44 27.84 2jj1 n GLU 50 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2jj1 s GLU 51 N -1.12 3.69 -0.28 3.49 2.12 -0.10 -4.68 118.70 121.83 2jj1 s GLU 51 Ca 0.00 1.10 -0.15 0.00 0.36 0.00 0.00 54.97 56.29 2jj1 s GLU 51 Cb 0.00 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 2jj1 s GLU 51 CO 0.00 -0.50 0.36 -1.64 -0.54 0.00 0.00 175.26 172.94 2jj1 s MET 52 N -3.95 3.98 0.34 4.30 -1.94 -1.26 -0.72 119.30 120.06 2jj1 s MET 52 Ca 0.62 -0.02 0.08 0.00 -1.71 0.00 0.00 55.69 54.65 2jj1 s MET 52 Cb -0.13 -3.67 -0.03 0.00 2.01 0.00 0.00 34.83 33.01 2jj1 s MET 52 CO 0.32 -0.29 0.26 0.14 -0.01 0.00 0.00 175.02 175.43 2jj1 s VAL 53 N 2.04 3.30 -0.15 -6.03 -7.23 0.10 -4.38 120.40 108.05 2jj1 s VAL 53 Ca 0.14 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 2jj1 s VAL 53 Cb -0.16 -3.11 0.02 0.00 0.56 0.00 0.00 36.38 33.69 2jj1 s VAL 53 CO 0.10 -0.16 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.85 2jj1 s GLU 54 N -3.96 2.66 0.60 4.82 2.12 -0.04 -0.96 118.70 123.93 2jj1 s GLU 54 Ca 0.41 -0.71 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 2jj1 s GLU 54 Cb -0.04 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 2jj1 s GLU 54 CO 0.25 -0.14 1.05 -0.06 -0.54 0.00 0.00 175.26 175.82 2jj1 s PHE 55 N 1.17 3.03 0.48 5.30 0.40 -0.68 -1.04 117.98 126.64 2jj1 s PHE 55 Ca -0.00 1.50 0.17 0.00 -0.60 0.00 0.00 56.93 58.00 2jj1 s PHE 55 Cb -0.14 -2.98 1.18 0.00 0.51 0.00 0.00 43.02 41.59 2jj1 s PHE 55 CO -0.08 -1.07 2.03 0.66 0.70 0.00 0.00 175.22 177.46 2jj1 h SER 56 N 0.37 0.18 0.89 1.36 4.64 -1.62 0.28 113.55 119.65 2jj1 h SER 56 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jj1 h SER 56 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2jj1 h SER 56 CO 0.58 0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 175.11 2jj1 n SER 57 N -4.46 0.33 0.00 4.97 3.41 -1.26 -4.92 113.62 111.69 2jj1 n SER 57 Ca 0.06 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 2jj1 n SER 57 Cb 0.35 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2jj1 n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jj1 n GLY 58 N 0.68 0.74 3.80 5.00 0.00 0.99 -5.09 105.19 111.31 2jj1 n GLY 58 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2jj1 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jj1 s LEU 59 N 0.00 4.04 0.59 0.99 1.43 -1.25 -4.86 118.68 119.62 2jj1 s LEU 59 Ca 0.00 1.80 -0.07 0.00 -1.03 0.00 0.00 54.13 54.83 2jj1 s LEU 59 Cb 0.00 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2jj1 s LEU 59 CO 0.00 -0.38 0.92 -0.54 0.23 0.00 0.00 176.35 176.59 2jj1 s LYS 60 N -2.85 3.04 -0.16 1.70 -0.14 -1.26 -1.69 119.74 118.37 2jj1 s LYS 60 Ca 0.60 0.13 -0.18 0.00 -1.36 0.00 0.00 55.97 55.16 2jj1 s LYS 60 Cb -0.14 -2.24 0.05 0.00 -1.68 0.00 0.00 37.83 33.82 2jj1 s LYS 60 CO 0.18 -0.67 0.50 0.20 -0.76 0.00 0.00 175.35 174.80 2jj1 s GLY 61 N -4.28 -0.37 -0.12 -3.33 0.00 -0.13 -1.66 107.32 97.42 2jj1 s GLY 61 Ca 0.54 1.31 0.01 0.00 0.00 0.00 0.00 44.72 46.58 2jj1 s GLY 61 CO 0.47 1.10 -0.16 -0.29 0.00 0.00 0.00 173.10 174.21 2jj1 s MET 62 N -0.01 3.29 -0.82 2.90 1.75 -0.31 0.00 119.30 126.11 2jj1 s MET 62 Ca -0.02 -0.74 -0.22 0.00 -1.25 0.00 0.00 55.69 53.46 2jj1 s MET 62 Cb -0.03 -2.54 0.08 0.00 2.84 0.00 0.00 34.83 35.18 2jj1 s MET 62 CO 0.02 0.20 1.13 -1.12 -0.65 0.00 0.00 175.02 174.59 2jj1 s SER 63 N 0.37 6.38 -0.08 1.11 0.01 0.10 0.10 113.70 121.68 2jj1 s SER 63 Ca -0.13 -1.37 0.19 0.00 1.31 0.00 0.00 55.95 55.96 2jj1 s SER 63 Cb -0.16 -2.45 -0.26 0.00 0.21 0.00 0.00 66.02 63.36 2jj1 s SER 63 CO 0.06 -1.36 0.37 0.18 0.41 0.00 0.00 173.24 172.90 2jj1 n LEU 64 N 7.66 0.17 -4.12 2.44 4.77 -0.60 0.15 117.00 127.48 2jj1 n LEU 64 Ca 0.12 0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 2jj1 n LEU 64 Cb 0.48 0.23 -0.16 0.00 -2.33 0.00 0.00 43.42 41.64 2jj1 n LEU 64 CO 0.60 0.24 -0.50 0.20 -1.33 0.00 0.00 177.39 176.60 2jj1 s ASN 65 N -5.18 3.53 -0.41 -1.43 -0.87 -0.95 -4.83 114.94 104.79 2jj1 s ASN 65 Ca -0.08 -0.83 -0.09 0.00 -1.57 0.00 0.00 52.86 50.29 2jj1 s ASN 65 Cb 0.09 -1.51 0.07 0.00 -0.02 0.00 0.00 41.25 39.88 2jj1 s ASN 65 CO 0.86 -0.05 0.25 -0.76 -2.57 0.00 0.00 177.10 174.82 2jj1 s LEU 66 N 1.25 5.09 0.31 0.60 1.43 -1.26 0.17 118.68 126.28 2jj1 s LEU 66 Ca 0.02 -1.45 0.07 0.00 -1.03 0.00 0.00 54.13 51.74 2jj1 s LEU 66 Cb -0.15 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2jj1 s LEU 66 CO -0.10 -0.52 0.25 -1.61 0.23 0.00 0.00 176.35 174.60 2jj1 s GLU 67 N 1.43 2.72 0.43 1.70 2.02 0.07 -5.01 118.70 122.07 2jj1 s GLU 67 Ca 0.03 -1.27 0.21 0.00 0.02 0.00 0.00 54.97 53.96 2jj1 s GLU 67 Cb -0.23 -2.46 1.16 0.00 0.10 0.00 0.00 34.13 32.71 2jj1 s GLU 67 CO 0.02 0.18 1.83 -1.35 0.02 0.00 0.00 175.26 175.96 2jj1 h PRO 68 N 1.35 0.32 0.00 0.39 0.11 -2.03 -3.13 132.00 129.02 2jj1 h PRO 68 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jj1 h PRO 68 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jj1 h PRO 68 CO 0.59 0.21 -0.16 -0.40 -0.21 0.00 0.00 178.00 178.03 2jj1 n ASP 69 N -4.50 1.10 -3.60 -2.05 5.75 -1.26 -5.07 116.55 106.91 2jj1 n ASP 69 Ca 0.21 -2.17 -0.04 0.00 -0.01 0.00 0.00 54.79 52.78 2jj1 n ASP 69 Cb 0.82 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.69 2jj1 n ASP 69 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2jj1 s ASN 70 N -1.42 -0.19 -0.20 -1.12 2.20 -1.18 -4.73 114.94 108.29 2jj1 s ASN 70 Ca 0.10 -0.11 0.00 0.00 -0.94 0.00 0.00 52.86 51.92 2jj1 s ASN 70 Cb 0.09 0.28 0.02 0.00 -2.00 0.00 0.00 41.25 39.64 2jj1 s ASN 70 CO 0.01 -0.49 -0.15 -0.69 -2.94 0.00 0.00 177.10 172.84 2jj1 s VAL 71 N -2.79 2.36 -0.58 3.54 1.01 0.51 -0.75 120.40 123.70 2jj1 s VAL 71 Ca 0.10 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 2jj1 s VAL 71 Cb 0.00 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 2jj1 s VAL 71 CO -0.04 0.41 1.63 -0.83 0.00 0.00 0.00 175.10 176.27 2jj1 s GLY 72 N 1.30 0.59 -0.15 4.51 0.00 0.46 -1.76 107.32 112.26 2jj1 s GLY 72 Ca 0.03 -0.64 -0.07 0.00 0.00 0.00 0.00 44.72 44.04 2jj1 s GLY 72 CO -0.10 3.10 0.11 0.14 0.00 0.00 0.00 173.10 176.35 2jj1 s VAL 73 N 7.38 5.21 -0.25 1.40 1.01 0.20 -1.56 120.40 133.78 2jj1 s VAL 73 Ca 0.60 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.59 2jj1 s VAL 73 Cb -0.13 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2jj1 s VAL 73 CO 0.23 0.54 0.13 -0.69 0.00 0.00 0.00 175.10 175.31 2jj1 s VAL 74 N -0.39 4.96 -0.37 2.92 1.01 0.11 -0.98 120.40 127.67 2jj1 s VAL 74 Ca 0.11 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.88 2jj1 s VAL 74 Cb -0.12 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2jj1 s VAL 74 CO 0.01 0.32 0.90 -0.69 0.00 0.00 0.00 175.10 175.65 2jj1 s VAL 75 N 1.40 4.61 -1.50 2.92 1.01 -0.78 -1.16 120.40 126.89 2jj1 s VAL 75 Ca 0.06 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.10 2jj1 s VAL 75 Cb -0.15 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2jj1 s VAL 75 CO 0.06 -0.52 2.59 0.49 0.00 0.00 0.00 175.10 177.72 2jj1 n PHE 76 N 6.71 2.76 -3.17 5.22 3.01 -0.67 -4.76 117.46 126.56 2jj1 n PHE 76 Ca 0.06 -2.99 0.00 0.00 1.01 0.00 0.00 57.45 55.53 2jj1 n PHE 76 Cb 0.48 -2.34 0.00 0.00 -0.01 0.00 0.00 39.48 37.61 2jj1 n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jj1 n GLY 77 N 3.28 -0.55 3.75 1.37 0.00 -1.26 -4.25 105.19 107.52 2jj1 n GLY 77 Ca 0.66 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2jj1 n GLY 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jj1 s ASN 78 N -4.00 6.54 0.52 1.61 3.84 -1.26 -4.92 114.94 117.27 2jj1 s ASN 78 Ca 0.00 2.79 0.28 0.00 0.21 0.00 0.00 52.86 56.13 2jj1 s ASN 78 Cb 0.00 -2.63 1.43 0.00 -0.55 0.00 0.00 41.25 39.50 2jj1 s ASN 78 CO 0.00 -0.78 2.06 0.44 -2.79 0.00 0.00 177.10 176.03 2jj1 h ASP 79 N 4.83 0.00 -0.12 -4.21 3.32 -1.95 -3.29 116.42 115.00 2jj1 h ASP 79 Ca -0.47 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.62 2jj1 h ASP 79 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2jj1 h ASP 79 CO 0.77 0.12 0.14 0.07 -1.72 0.00 0.00 179.24 178.63 2jj1 h LYS 80 N 0.00 0.00 0.00 3.56 2.10 -2.02 -0.38 116.57 119.83 2jj1 h LYS 80 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jj1 h LYS 80 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2jj1 h LYS 80 CO 0.02 0.00 -0.04 -0.07 -2.00 0.00 0.00 179.45 177.35 2jj1 h LEU 81 N 0.00 0.00 -8.65 7.07 3.38 -1.98 -3.44 115.31 111.69 2jj1 h LEU 81 Ca 0.06 -0.01 -0.65 0.00 0.09 0.00 0.00 57.88 57.37 2jj1 h LEU 81 Cb 0.34 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.86 2jj1 h LEU 81 CO -0.00 0.01 -0.65 -0.63 0.09 0.00 0.00 178.44 177.26 2jj1 s ILE 82 N -3.11 4.06 0.29 1.22 1.01 -0.15 -4.69 121.20 119.82 2jj1 s ILE 82 Ca 0.10 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.58 2jj1 s ILE 82 Cb 0.12 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 2jj1 s ILE 82 CO 0.61 0.39 -0.02 -0.54 0.00 0.00 0.00 174.94 175.39 2jj1 s LYS 83 N 1.30 2.18 0.10 2.79 1.02 -1.26 -4.93 119.74 120.93 2jj1 s LYS 83 Ca 0.04 -1.54 -0.36 0.00 0.02 0.00 0.00 55.97 54.13 2jj1 s LYS 83 Cb -0.15 -2.07 -0.16 0.00 -0.52 0.00 0.00 37.83 34.93 2jj1 s LYS 83 CO 0.02 0.30 1.35 -1.91 -0.92 0.00 0.00 175.35 174.19 2jj1 n GLU 84 N -0.89 1.23 -0.47 1.68 2.13 -1.26 -1.78 120.64 121.28 2jj1 n GLU 84 Ca -0.05 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2jj1 n GLU 84 Cb 0.60 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2jj1 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jj1 n GLY 85 N 2.57 0.92 3.76 8.31 0.00 0.18 -4.94 105.19 116.00 2jj1 n GLY 85 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2jj1 n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jj1 s ASP 86 N -3.02 6.65 0.10 1.61 1.11 -0.73 -4.54 116.67 117.85 2jj1 s ASP 86 Ca 0.00 2.74 -0.31 0.00 0.18 0.00 0.00 52.55 55.17 2jj1 s ASP 86 Cb 0.00 -2.64 -0.07 0.00 1.07 0.00 0.00 42.92 41.28 2jj1 s ASP 86 CO 0.00 -0.66 1.24 -0.63 1.18 0.00 0.00 175.17 176.30 2jj1 s ILE 87 N -0.70 3.78 -0.16 0.77 1.09 -1.26 -0.74 121.20 123.98 2jj1 s ILE 87 Ca 0.54 1.32 0.01 0.00 -1.10 0.00 0.00 60.65 61.42 2jj1 s ILE 87 Cb -0.42 -3.85 0.01 0.00 -1.06 0.00 0.00 42.46 37.14 2jj1 s ILE 87 CO 0.51 0.13 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.61 2jj1 s VAL 88 N 0.83 2.38 0.06 2.92 1.01 0.16 -1.58 120.40 126.17 2jj1 s VAL 88 Ca 0.59 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2jj1 s VAL 88 Cb -0.32 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2jj1 s VAL 88 CO 0.31 0.52 0.10 -0.54 0.00 0.00 0.00 175.10 175.50 2jj1 s LYS 89 N 0.99 3.01 -0.15 2.72 1.02 -0.21 -0.41 119.74 126.71 2jj1 s LYS 89 Ca -0.02 -0.61 -0.21 0.00 0.02 0.00 0.00 55.97 55.15 2jj1 s LYS 89 Cb -0.15 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2jj1 s LYS 89 CO -0.04 0.59 0.60 1.03 -0.92 0.00 0.00 175.35 176.61 2jj1 s ARG 90 N -2.29 4.29 0.00 1.68 0.52 -0.83 -0.87 118.95 121.46 2jj1 s ARG 90 Ca 0.29 0.62 0.19 0.00 -0.52 0.00 0.00 55.73 56.32 2jj1 s ARG 90 Cb -0.12 -3.52 0.50 0.00 0.52 0.00 0.00 34.95 32.33 2jj1 s ARG 90 CO 0.22 -0.08 1.42 0.25 0.02 0.00 0.00 175.30 177.12 2jj1 n THR 91 N 4.27 0.86 -1.92 0.02 -2.24 -1.26 -4.92 114.28 109.09 2jj1 n THR 91 Ca -0.03 -0.93 -0.10 0.00 -2.27 0.00 0.00 64.05 60.72 2jj1 n THR 91 Cb 0.50 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 2jj1 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj1 n GLY 92 N 1.30 0.32 3.76 3.38 0.00 -1.26 -5.01 105.19 107.68 2jj1 n GLY 92 Ca 0.20 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2jj1 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jj1 s ALA 93 N -2.46 2.19 -0.12 4.61 0.00 -1.26 -5.06 121.76 119.66 2jj1 s ALA 93 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 2jj1 s ALA 93 Cb 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.87 2jj1 s ALA 93 CO 0.00 -1.83 0.09 -1.50 0.00 0.00 0.00 175.76 172.52 2jj1 s ILE 94 N -2.81 -0.12 -1.04 0.00 -1.16 -1.26 -4.64 121.20 110.15 2jj1 s ILE 94 Ca 0.62 0.10 -0.23 0.00 -0.51 0.00 0.00 60.65 60.63 2jj1 s ILE 94 Cb -0.18 -0.40 -0.06 0.00 0.61 0.00 0.00 42.46 42.43 2jj1 s ILE 94 CO 0.55 -0.07 1.92 -0.69 -2.81 0.00 0.00 174.94 173.84 2jj1 s VAL 95 N 2.17 3.52 0.34 4.00 1.01 -1.26 -4.86 120.40 125.33 2jj1 s VAL 95 Ca 0.03 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2jj1 s VAL 95 Cb -0.14 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2jj1 s VAL 95 CO -0.07 -1.02 0.10 1.51 0.00 0.00 0.00 175.10 175.63 2jj1 s ASP 96 N 7.17 2.20 0.02 3.32 -4.77 -1.26 -2.06 116.67 121.28 2jj1 s ASP 96 Ca 0.68 -1.51 0.01 0.00 -3.30 0.00 0.00 52.55 48.43 2jj1 s ASP 96 Cb -0.04 0.23 -0.01 0.00 -1.09 0.00 0.00 42.92 42.01 2jj1 s ASP 96 CO 0.06 -0.78 -0.04 0.68 0.70 0.00 0.00 175.17 175.78 2jj1 s VAL 97 N -3.39 0.25 0.38 2.11 -7.23 0.28 -4.85 120.40 107.94 2jj1 s VAL 97 Ca 0.32 -0.65 -0.27 0.00 -1.81 0.00 0.00 61.98 59.56 2jj1 s VAL 97 Cb 0.06 -0.31 -0.11 0.00 0.56 0.00 0.00 36.38 36.58 2jj1 s VAL 97 CO 0.15 -0.27 1.39 -0.81 -0.31 0.00 0.00 175.10 175.25 2jj1 n PRO 98 N 2.09 2.36 -4.03 4.82 -0.04 -1.26 -1.53 135.00 137.41 2jj1 n PRO 98 Ca -0.19 0.83 -0.15 0.00 -0.04 0.00 0.00 63.50 63.95 2jj1 n PRO 98 Cb 0.56 -2.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.36 2jj1 n PRO 98 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jj1 s VAL 99 N -1.13 0.25 -5.00 0.52 1.01 -0.29 -4.83 120.40 110.93 2jj1 s VAL 99 Ca 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2jj1 s VAL 99 Cb -0.51 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2jj1 s VAL 99 CO 0.62 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.42 2jj1 n GLY 100 N 3.22 -0.41 0.25 4.51 0.00 -1.26 -3.72 105.19 107.79 2jj1 n GLY 100 Ca -0.15 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.35 2jj1 n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jj1 h GLU 101 N 3.91 0.00 0.00 1.61 5.08 -1.98 -2.93 114.58 120.27 2jj1 h GLU 101 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jj1 h GLU 101 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jj1 h GLU 101 CO 0.00 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.16 2jj1 n GLU 102 N -2.99 0.07 0.17 2.33 0.00 -1.26 -1.77 120.64 117.20 2jj1 n GLU 102 Ca 0.01 0.12 0.06 0.00 0.00 0.00 0.00 57.16 57.36 2jj1 n GLU 102 Cb 0.34 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.45 2jj1 n GLU 102 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2jj1 h LEU 103 N 0.00 0.00 -9.82 -1.84 3.38 -1.89 -3.42 115.31 101.72 2jj1 h LEU 103 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2jj1 h LEU 103 Cb 0.32 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.17 2jj1 h LEU 103 CO 0.00 0.35 0.81 0.18 0.09 0.00 0.00 178.44 179.87 2jj1 n LEU 104 N -3.25 4.37 0.00 1.67 4.77 -0.73 -1.60 117.00 122.23 2jj1 n LEU 104 Ca 0.02 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 2jj1 n LEU 104 Cb 0.62 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2jj1 n LEU 104 CO 0.38 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2jj1 n GLY 105 N 1.58 0.58 3.51 -0.72 0.00 -0.90 -4.94 105.19 104.29 2jj1 n GLY 105 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2jj1 n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jj1 s ARG 106 N -0.29 2.12 -0.23 1.61 1.81 -0.62 -4.95 118.95 118.38 2jj1 s ARG 106 Ca 0.00 -0.98 -0.07 0.00 -1.72 0.00 0.00 55.73 52.96 2jj1 s ARG 106 Cb 0.00 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.22 2jj1 s ARG 106 CO 0.00 0.53 0.06 0.08 -0.68 0.00 0.00 175.30 175.29 2jj1 s VAL 107 N -1.03 4.29 0.26 3.52 1.01 -1.26 -2.26 120.40 124.93 2jj1 s VAL 107 Ca 0.17 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.04 2jj1 s VAL 107 Cb -0.11 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2jj1 s VAL 107 CO 0.08 0.37 -0.11 0.68 0.00 0.00 0.00 175.10 176.11 2jj1 s VAL 108 N 1.39 1.83 0.00 2.92 -7.23 0.03 -0.76 120.40 118.58 2jj1 s VAL 108 Ca 0.05 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 2jj1 s VAL 108 Cb -0.15 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2jj1 s VAL 108 CO 0.03 -0.42 0.00 -0.90 -0.31 0.00 0.00 175.10 173.50 2jj1 n ASP 109 N -0.52 0.00 0.32 4.85 3.85 0.15 -1.37 116.55 123.82 2jj1 n ASP 109 Ca -0.06 -0.99 0.21 0.00 -0.71 0.00 0.00 54.79 53.24 2jj1 n ASP 109 Cb 0.62 0.00 1.13 0.00 -1.35 0.00 0.00 41.12 41.52 2jj1 n ASP 109 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jj1 h ALA 110 N -1.17 1.00 -0.24 2.12 0.00 -1.89 -1.44 119.26 117.64 2jj1 h ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jj1 h ALA 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jj1 h ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2jj1 n LEU 111 N -3.00 3.44 0.00 0.00 4.77 -1.26 -4.58 117.00 116.37 2jj1 n LEU 111 Ca -0.03 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 2jj1 n LEU 111 Cb 0.08 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2jj1 n LEU 111 CO 0.20 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2jj1 n GLY 112 N -0.38 0.75 3.73 -0.72 0.00 -0.54 -4.53 105.19 103.51 2jj1 n GLY 112 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2jj1 n GLY 112 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jj1 s ASN 113 N -2.55 6.55 0.20 1.61 0.01 -1.26 -4.67 114.94 114.83 2jj1 s ASN 113 Ca 0.00 2.72 -0.30 0.00 -0.71 0.00 0.00 52.86 54.57 2jj1 s ASN 113 Cb 0.00 -2.61 -0.08 0.00 0.41 0.00 0.00 41.25 38.96 2jj1 s ASN 113 CO 0.00 -0.81 1.23 0.00 -1.51 0.00 0.00 177.10 176.00 2jj1 s ALA 114 N 0.54 3.46 -0.01 0.60 0.00 -1.26 0.31 121.76 125.40 2jj1 s ALA 114 Ca 0.66 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.63 2jj1 s ALA 114 Cb -0.44 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.27 2jj1 s ALA 114 CO 0.38 -0.42 0.82 0.44 0.00 0.00 0.00 175.76 176.98 2jj1 n ILE 115 N 2.40 0.62 1.07 0.00 -5.35 0.06 -4.71 119.36 113.45 2jj1 n ILE 115 Ca 0.04 -0.65 0.12 0.00 -0.27 0.00 0.00 62.75 62.00 2jj1 n ILE 115 Cb 0.44 0.64 0.26 0.00 -1.74 0.00 0.00 39.64 39.24 2jj1 n ILE 115 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2jj1 n ASP 116 N -0.34 2.53 -0.19 7.28 5.68 -1.18 -4.97 116.55 125.36 2jj1 n ASP 116 Ca 0.01 -1.83 -0.02 0.00 -0.50 0.00 0.00 54.79 52.44 2jj1 n ASP 116 Cb 0.40 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 2jj1 n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jj1 n GLY 117 N 1.30 0.57 1.37 6.12 0.00 -1.26 -4.92 105.19 108.38 2jj1 n GLY 117 Ca 0.16 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.34 2jj1 n GLY 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jj1 n LYS 118 N -2.87 3.10 0.00 1.61 5.02 -1.26 -5.08 118.16 118.68 2jj1 n LYS 118 Ca -0.02 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.25 2jj1 n LYS 118 Cb 0.09 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 2jj1 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jj1 n GLY 119 N -0.45 -1.20 3.68 0.72 0.00 -1.26 -4.92 105.19 101.75 2jj1 n GLY 119 Ca 0.31 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2jj1 n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jj1 n PRO 120 N -0.25 1.87 -2.42 1.61 -0.04 -1.26 -4.80 135.00 129.72 2jj1 n PRO 120 Ca 0.00 0.66 -0.43 0.00 -0.04 0.00 0.00 63.50 63.69 2jj1 n PRO 120 Cb 0.00 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 2jj1 n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jj1 s ILE 121 N -1.16 4.19 -0.14 0.52 -1.09 -1.26 -4.93 121.20 117.33 2jj1 s ILE 121 Ca 0.59 1.39 -0.06 0.00 -2.23 0.00 0.00 60.65 60.34 2jj1 s ILE 121 Cb -0.55 -4.09 -0.24 0.00 -1.58 0.00 0.00 42.46 36.00 2jj1 s ILE 121 CO 0.60 -0.34 3.45 0.61 -1.23 0.00 0.00 174.94 178.03 2jj1 n GLY 122 N 4.04 3.03 3.70 6.18 0.00 -1.26 -4.92 105.19 115.95 2jj1 n GLY 122 Ca 0.14 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2jj1 n GLY 122 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jj1 s SER 123 N 2.06 7.16 -0.00 1.61 0.15 -1.26 -4.88 113.70 118.54 2jj1 s SER 123 Ca 0.65 1.41 0.21 0.00 0.70 0.00 0.00 55.95 58.92 2jj1 s SER 123 Cb 0.30 -2.50 -0.24 0.00 -1.71 0.00 0.00 66.02 61.87 2jj1 s SER 123 CO -0.01 -0.27 0.83 0.29 1.20 0.00 0.00 173.24 175.29 2jj1 n LYS 124 N 4.25 0.19 -4.28 5.44 5.02 -1.26 -4.96 118.16 122.55 2jj1 n LYS 124 Ca 0.04 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 2jj1 n LYS 124 Cb 0.50 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.92 2jj1 n LYS 124 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jj1 s ALA 125 N -3.04 1.69 0.11 7.82 0.00 -1.24 -5.08 121.76 122.03 2jj1 s ALA 125 Ca 0.06 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2jj1 s ALA 125 Cb 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2jj1 s ALA 125 CO 0.86 0.09 -0.10 1.03 0.00 0.00 0.00 175.76 177.64 2jj1 s ARG 126 N -3.06 0.90 -0.01 0.00 0.52 -1.26 -1.14 118.95 114.91 2jj1 s ARG 126 Ca 0.14 -1.24 -0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2jj1 s ARG 126 Cb -0.03 -0.56 0.01 0.00 0.52 0.00 0.00 34.95 34.89 2jj1 s ARG 126 CO 0.04 0.08 0.01 0.50 0.02 0.00 0.00 175.30 175.95 2jj1 s ARG 127 N -3.06 -0.00 0.39 3.54 3.52 -0.58 -4.86 118.95 117.91 2jj1 s ARG 127 Ca 0.08 0.05 -0.27 0.00 -0.13 0.00 0.00 55.73 55.46 2jj1 s ARG 127 Cb -0.01 -0.05 -0.10 0.00 -1.56 0.00 0.00 34.95 33.22 2jj1 s ARG 127 CO -0.00 -0.04 1.43 0.54 -0.81 0.00 0.00 175.30 176.42 2jj1 n ARG 128 N 3.31 2.43 0.17 5.12 1.74 -1.26 -0.56 116.66 127.61 2jj1 n ARG 128 Ca -0.15 0.86 0.11 0.00 -0.77 0.00 0.00 57.85 57.89 2jj1 n ARG 128 Cb 0.58 -2.59 0.09 0.00 -1.02 0.00 0.00 32.46 29.52 2jj1 n ARG 128 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2jj1 h VAL 129 N 2.66 0.08 -3.44 1.55 -1.51 -1.74 -3.42 116.25 110.43 2jj1 h VAL 129 Ca -0.50 -1.13 -0.70 0.00 -1.23 0.00 0.00 66.70 63.14 2jj1 h VAL 129 Cb 1.26 1.86 -0.33 0.00 -2.13 0.00 0.00 31.29 31.95 2jj1 h VAL 129 CO 0.63 0.05 -0.49 -0.83 -1.23 0.00 0.00 177.57 175.69 2jj1 s GLY 130 N -4.30 2.04 0.01 5.19 0.00 -1.26 -4.58 107.32 104.42 2jj1 s GLY 130 Ca 0.04 -2.59 -0.02 0.00 0.00 0.00 0.00 44.72 42.15 2jj1 s GLY 130 CO 0.72 1.06 0.01 1.08 0.00 0.00 0.00 173.10 175.97 2jj1 s LEU 131 N 1.12 2.06 0.45 0.66 1.43 -1.26 -5.14 118.68 117.99 2jj1 s LEU 131 Ca 0.08 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 2jj1 s LEU 131 Cb -0.23 0.24 -0.08 0.00 0.03 0.00 0.00 46.19 46.14 2jj1 s LEU 131 CO -0.03 -0.31 1.42 -0.54 0.23 0.00 0.00 176.35 177.12 2jj1 s LYS 132 N -1.40 3.71 0.54 1.70 1.02 -1.26 -5.01 119.74 119.05 2jj1 s LYS 132 Ca -0.15 2.40 -0.19 0.00 0.02 0.00 0.00 55.97 58.05 2jj1 s LYS 132 Cb -0.09 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 2jj1 s LYS 132 CO -0.00 -0.79 1.10 0.00 -0.92 0.00 0.00 175.35 174.74 2jj1 s ALA 133 N -1.21 2.72 0.34 5.17 0.00 -1.26 -4.98 121.76 122.55 2jj1 s ALA 133 Ca 0.61 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 2jj1 s ALA 133 Cb -0.43 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.24 2jj1 s ALA 133 CO 0.56 -0.71 0.90 -2.30 0.00 0.00 0.00 175.76 174.20 2jj1 n PRO 134 N -1.38 1.13 0.00 0.00 -0.02 -1.26 -4.96 135.00 128.51 2jj1 n PRO 134 Ca 0.11 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2jj1 n PRO 134 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2jj1 n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jj1 n GLY 135 N 1.36 -0.92 0.24 -1.23 0.00 -1.26 -4.98 105.19 98.40 2jj1 n GLY 135 Ca 0.10 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 2jj1 n GLY 135 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jj1 h ILE 136 N -0.08 1.28 0.03 -0.61 6.09 -1.99 -3.37 117.51 118.86 2jj1 h ILE 136 Ca 0.00 -1.66 -0.20 0.00 -1.37 0.00 0.00 64.86 61.63 2jj1 h ILE 136 Cb 0.00 1.61 0.02 0.00 0.47 0.00 0.00 36.82 38.92 2jj1 h ILE 136 CO 0.00 0.54 -0.81 0.40 -3.07 0.00 0.00 178.15 175.21 2jj1 h ILE 137 N 0.62 1.39 0.00 2.19 1.08 -2.02 -3.35 117.51 117.42 2jj1 h ILE 137 Ca 0.02 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 62.28 2jj1 h ILE 137 Cb 1.08 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 37.47 2jj1 h ILE 137 CO 0.11 0.66 0.00 -2.65 -0.69 0.00 0.00 178.15 175.58 2jj1 n PRO 138 N -4.07 0.56 -4.31 2.37 -0.02 -1.26 -4.81 135.00 123.46 2jj1 n PRO 138 Ca -0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.14 2jj1 n PRO 138 Cb 0.78 -1.26 -0.12 0.00 -0.02 0.00 0.00 33.50 32.88 2jj1 n PRO 138 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jj1 s ARG 139 N -1.08 1.21 0.20 -0.52 0.52 -1.26 -2.39 118.95 115.64 2jj1 s ARG 139 Ca 0.00 -1.30 0.10 0.00 -0.52 0.00 0.00 55.73 54.01 2jj1 s ARG 139 Cb 0.00 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 2jj1 s ARG 139 CO 0.00 0.30 -0.17 -1.50 0.02 0.00 0.00 175.30 173.94 2jj1 s ILE 140 N -1.65 2.72 0.29 1.52 1.10 -0.98 -4.62 121.20 119.58 2jj1 s ILE 140 Ca 0.12 -1.92 -0.26 0.00 -0.51 0.00 0.00 60.65 58.07 2jj1 s ILE 140 Cb -0.08 -2.34 -0.15 0.00 0.15 0.00 0.00 42.46 40.05 2jj1 s ILE 140 CO 0.06 -0.15 0.66 -1.20 -2.11 0.00 0.00 174.94 172.20 2jj1 n SER 141 N 0.06 -0.43 -4.65 4.50 7.64 -1.26 -4.65 113.62 114.83 2jj1 n SER 141 Ca -0.11 1.07 -0.42 0.00 1.01 0.00 0.00 58.87 60.42 2jj1 n SER 141 Cb 0.56 -1.10 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2jj1 n SER 141 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jj1 s VAL 142 N -1.17 3.19 0.00 0.44 1.01 -1.26 -4.81 120.40 117.79 2jj1 s VAL 142 Ca 0.62 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2jj1 s VAL 142 Cb -0.76 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2jj1 s VAL 142 CO 0.58 -0.04 0.00 0.54 0.00 0.00 0.00 175.10 176.18 2jj1 n ARG 143 N 7.63 0.00 -2.68 2.72 5.12 -1.26 -4.70 116.66 123.50 2jj1 n ARG 143 Ca 0.21 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.72 2jj1 n ARG 143 Cb 0.42 -0.47 -0.05 0.00 -1.16 0.00 0.00 32.46 31.20 2jj1 n ARG 143 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2jj1 s GLU 144 N -1.79 4.71 0.61 5.56 2.02 -1.26 -4.14 118.70 124.41 2jj1 s GLU 144 Ca 0.00 1.53 -0.19 0.00 0.02 0.00 0.00 54.97 56.33 2jj1 s GLU 144 Cb 0.00 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 2jj1 s GLU 144 CO 0.00 0.26 1.31 -2.14 0.02 0.00 0.00 175.26 174.71 2jj1 s PRO 145 N -0.42 2.78 -0.50 0.39 0.02 -1.26 -0.73 135.00 135.29 2jj1 s PRO 145 Ca 0.46 2.12 0.03 0.00 0.02 0.00 0.00 61.00 63.63 2jj1 s PRO 145 Cb -0.26 -2.00 0.13 0.00 0.02 0.00 0.00 34.50 32.40 2jj1 s PRO 145 CO 0.32 -1.44 0.26 1.41 -0.33 0.00 0.00 177.00 177.22 2jj1 s MET 146 N -3.21 1.76 -0.19 5.54 1.75 -0.92 -4.39 119.30 119.64 2jj1 s MET 146 Ca 0.79 -2.44 -0.29 0.00 -1.25 0.00 0.00 55.69 52.49 2jj1 s MET 146 Cb -0.38 -3.00 -0.01 0.00 2.84 0.00 0.00 34.83 34.28 2jj1 s MET 146 CO 0.42 -1.13 1.27 -0.65 -0.65 0.00 0.00 175.02 174.28 2jj1 s GLN 147 N -0.11 4.18 0.19 4.11 -1.52 -1.26 -4.40 119.66 120.84 2jj1 s GLN 147 Ca 0.17 1.60 0.13 0.00 -1.95 0.00 0.00 55.36 55.31 2jj1 s GLN 147 Cb -0.25 -3.79 -0.06 0.00 -0.22 0.00 0.00 33.01 28.69 2jj1 s GLN 147 CO -0.00 -0.78 1.27 1.79 -0.25 0.00 0.00 175.29 177.32 2jj1 h THR 148 N 5.57 1.07 0.00 -0.19 1.35 -1.94 -3.45 112.91 115.31 2jj1 h THR 148 Ca -0.26 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 2jj1 h THR 148 Cb 1.10 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 2jj1 h THR 148 CO 0.98 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 177.47 2jj1 n GLY 149 N 1.30 1.58 3.65 5.82 0.00 -1.26 -3.87 105.19 112.40 2jj1 n GLY 149 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2jj1 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj1 s ILE 150 N -3.69 5.03 0.11 -0.61 1.01 -1.26 -1.13 121.20 120.66 2jj1 s ILE 150 Ca 0.00 1.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.47 2jj1 s ILE 150 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 2jj1 s ILE 150 CO 0.00 0.10 1.66 0.11 0.00 0.00 0.00 174.94 176.81 2jj1 h LYS 151 N 7.66 -0.38 -0.89 2.79 1.57 -1.94 -0.04 116.57 125.34 2jj1 h LYS 151 Ca -0.30 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.67 2jj1 h LYS 151 Cb 1.14 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.47 2jj1 h LYS 151 CO 0.76 -0.25 0.58 0.00 -0.57 0.00 0.00 179.45 179.96 2jj1 h ALA 152 N 0.40 1.99 0.00 3.86 0.00 -1.92 -0.03 119.26 123.56 2jj1 h ALA 152 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jj1 h ALA 152 Cb 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jj1 h ALA 152 CO -0.10 -0.26 -0.19 0.28 0.00 0.00 0.00 179.25 178.98 2jj1 h VAL 153 N 0.56 0.17 -0.77 0.00 2.07 -1.81 -1.48 116.25 114.99 2jj1 h VAL 153 Ca 0.46 -1.15 0.17 0.00 0.82 0.00 0.00 66.70 67.00 2jj1 h VAL 153 Cb 0.92 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2jj1 h VAL 153 CO -0.20 0.06 0.52 0.44 0.02 0.00 0.00 177.57 178.41 2jj1 h ASP 154 N -1.00 0.31 0.00 0.57 3.32 -0.95 0.13 116.42 118.80 2jj1 h ASP 154 Ca -0.01 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2jj1 h ASP 154 Cb 0.27 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2jj1 h ASP 154 CO -0.01 0.15 -0.63 0.77 -1.72 0.00 0.00 179.24 177.81 2jj1 h SER 155 N 0.33 0.00 -0.00 6.45 4.64 -1.12 -3.38 113.55 120.46 2jj1 h SER 155 Ca 0.38 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2jj1 h SER 155 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2jj1 h SER 155 CO -0.11 1.15 -0.70 0.18 -0.87 0.00 0.00 176.83 176.48 2jj1 n LEU 156 N -4.55 0.92 -2.75 5.97 4.77 -0.56 -4.57 117.00 116.23 2jj1 n LEU 156 Ca -0.19 -0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 55.22 2jj1 n LEU 156 Cb 0.50 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.67 2jj1 n LEU 156 CO 0.21 0.21 0.20 0.52 -1.33 0.00 0.00 177.39 177.21 2jj1 n VAL 157 N -1.17 0.75 -1.80 4.08 0.31 0.32 -4.83 118.33 115.98 2jj1 n VAL 157 Ca 0.04 -2.27 -0.42 0.00 -0.01 0.00 0.00 64.34 61.68 2jj1 n VAL 157 Cb 0.27 1.09 -0.02 0.00 -0.91 0.00 0.00 33.84 34.27 2jj1 n VAL 157 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jj1 s PRO 158 N -2.22 4.15 0.32 5.55 0.04 -0.39 -4.74 135.00 137.70 2jj1 s PRO 158 Ca 0.21 2.54 -0.01 0.00 0.04 0.00 0.00 61.00 63.78 2jj1 s PRO 158 Cb 0.39 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2jj1 s PRO 158 CO -0.06 -0.65 0.53 0.42 0.04 0.00 0.00 177.00 177.29 2jj1 s ILE 159 N 0.47 5.09 0.07 0.56 1.01 -1.26 -4.35 121.20 122.79 2jj1 s ILE 159 Ca 0.67 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.06 2jj1 s ILE 159 Cb -0.47 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 2jj1 s ILE 159 CO 0.41 -0.45 -0.11 -0.83 0.00 0.00 0.00 174.94 173.96 2jj1 s GLY 160 N -3.69 0.74 -0.20 6.18 0.00 -1.26 -2.18 107.32 106.91 2jj1 s GLY 160 Ca 0.41 -0.99 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 2jj1 s GLY 160 CO 0.34 -1.04 1.91 0.50 0.00 0.00 0.00 173.10 174.81 2jj1 s ARG 161 N -2.05 3.53 0.00 2.90 0.52 0.09 -1.39 118.95 122.55 2jj1 s ARG 161 Ca -0.02 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 2jj1 s ARG 161 Cb -0.08 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.19 2jj1 s ARG 161 CO 0.01 -1.63 0.00 0.41 0.02 0.00 0.00 175.30 174.11 2jj1 n GLY 162 N 5.17 1.75 3.69 -3.53 0.00 -1.26 -4.57 105.19 106.44 2jj1 n GLY 162 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2jj1 n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jj1 s GLN 163 N -0.12 1.42 -0.17 1.61 0.74 -0.49 -2.93 119.66 119.73 2jj1 s GLN 163 Ca 0.00 1.64 -0.03 0.00 0.05 0.00 0.00 55.36 57.03 2jj1 s GLN 163 Cb 0.00 -1.76 -0.02 0.00 1.10 0.00 0.00 33.01 32.33 2jj1 s GLN 163 CO 0.00 -2.35 -0.07 1.03 -0.55 0.00 0.00 175.29 173.35 2jj1 s ARG 164 N -4.38 3.46 -0.17 1.67 3.00 -1.26 -2.46 118.95 118.80 2jj1 s ARG 164 Ca 0.70 -0.62 -0.01 0.00 0.00 0.00 0.00 55.73 55.81 2jj1 s ARG 164 Cb -0.26 -2.86 0.05 0.00 0.00 0.00 0.00 34.95 31.88 2jj1 s ARG 164 CO 0.54 0.05 -0.04 -2.00 0.00 0.00 0.00 175.30 173.85 2jj1 s GLU 165 N 0.81 1.30 0.17 3.54 2.56 -0.59 -0.31 118.70 126.19 2jj1 s GLU 165 Ca -0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 54.97 54.12 2jj1 s GLU 165 Cb -0.15 -2.05 -0.07 0.00 2.00 0.00 0.00 34.13 33.86 2jj1 s GLU 165 CO 0.01 -0.48 1.04 -1.17 -0.56 0.00 0.00 175.26 174.10 2jj1 s LEU 166 N 1.65 4.52 -0.30 2.70 2.96 -0.15 -3.84 118.68 126.22 2jj1 s LEU 166 Ca -0.00 2.00 -0.10 0.00 -0.22 0.00 0.00 54.13 55.80 2jj1 s LEU 166 Cb -0.16 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 2jj1 s LEU 166 CO -0.07 -0.11 0.17 -0.63 -1.32 0.00 0.00 176.35 174.38 2jj1 s ILE 167 N -0.37 4.91 -0.06 6.68 1.01 -0.39 0.12 121.20 133.10 2jj1 s ILE 167 Ca 0.47 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 2jj1 s ILE 167 Cb -0.27 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2jj1 s ILE 167 CO 0.33 0.13 0.15 -0.51 0.00 0.00 0.00 174.94 175.05 2jj1 s ILE 168 N 1.68 -0.00 0.00 2.92 2.07 0.31 -1.40 121.20 126.78 2jj1 s ILE 168 Ca 0.06 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 2jj1 s ILE 168 Cb -0.17 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.20 2jj1 s ILE 168 CO 0.08 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2jj1 n GLY 169 N 3.05 -0.08 3.46 1.50 0.00 -1.17 -0.22 105.19 111.73 2jj1 n GLY 169 Ca -0.13 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 2jj1 n GLY 169 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jj1 s ASP 170 N 0.00 -0.05 0.40 1.61 -0.00 -1.26 -1.22 116.67 116.15 2jj1 s ASP 170 Ca 0.00 0.72 -0.26 0.00 -0.00 0.00 0.00 52.55 53.01 2jj1 s ASP 170 Cb 0.00 -1.00 -0.11 0.00 -0.00 0.00 0.00 42.92 41.81 2jj1 s ASP 170 CO 0.00 -4.73 1.23 -2.11 -0.00 0.00 0.00 175.17 169.57 2jj1 n ARG 171 N -5.18 1.88 -2.69 8.23 1.85 -1.26 -3.56 116.66 115.93 2jj1 n ARG 171 Ca 0.13 0.67 -0.17 0.00 -1.00 0.00 0.00 57.85 57.48 2jj1 n ARG 171 Cb 0.60 -2.31 0.02 0.00 -1.05 0.00 0.00 32.46 29.72 2jj1 n ARG 171 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2jj1 n GLN 172 N 0.19 -3.07 -0.00 2.89 6.02 -1.26 -4.87 117.38 117.28 2jj1 n GLN 172 Ca 0.07 0.71 0.09 0.00 -0.01 0.00 0.00 57.00 57.85 2jj1 n GLN 172 Cb 0.38 -5.09 -0.10 0.00 1.02 0.00 0.00 30.24 26.45 2jj1 n GLN 172 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jj1 n THR 173 N -4.15 0.00 0.00 5.09 -2.24 -1.23 -4.98 114.28 106.76 2jj1 n THR 173 Ca -0.11 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2jj1 n THR 173 Cb 0.60 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2jj1 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj1 n GLY 174 N 1.43 1.79 0.08 3.38 0.00 -1.26 -4.42 105.19 106.19 2jj1 n GLY 174 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2jj1 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jj1 h LYS 175 N 0.00 0.08 -0.83 1.61 1.57 -1.93 -2.90 116.57 114.18 2jj1 h LYS 175 Ca 0.00 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2jj1 h LYS 175 Cb 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2jj1 h LYS 175 CO 0.00 0.69 0.53 1.15 -0.57 0.00 0.00 179.45 181.25 2jj1 h THR 176 N -0.51 1.11 -0.43 -0.16 2.02 -1.98 -2.99 112.91 109.98 2jj1 h THR 176 Ca -0.00 -0.35 0.09 0.00 0.77 0.00 0.00 66.41 66.92 2jj1 h THR 176 Cb 0.70 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.03 2jj1 h THR 176 CO 0.01 0.18 -0.18 0.28 0.37 0.00 0.00 175.52 176.19 2jj1 h SER 177 N 1.01 -0.61 -0.76 4.18 0.02 -1.97 -0.72 113.55 114.70 2jj1 h SER 177 Ca 0.34 0.15 0.15 0.00 -0.84 0.00 0.00 61.79 61.59 2jj1 h SER 177 Cb 0.04 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 62.83 2jj1 h SER 177 CO -0.13 -0.21 0.28 0.40 -1.14 0.00 0.00 176.83 176.04 2jj1 h ILE 178 N -0.09 0.62 -0.10 3.27 1.08 -1.35 -0.97 117.51 119.96 2jj1 h ILE 178 Ca 0.21 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2jj1 h ILE 178 Cb 0.41 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2jj1 h ILE 178 CO -0.49 0.07 -0.05 0.00 -0.69 0.00 0.00 178.15 177.00 2jj1 h ALA 179 N 1.57 0.14 -0.08 1.87 0.00 -1.42 -2.68 119.26 118.67 2jj1 h ALA 179 Ca 0.42 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2jj1 h ALA 179 Cb 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2jj1 h ALA 179 CO -0.43 -0.09 -0.12 0.82 0.00 0.00 0.00 179.25 179.43 2jj1 h ILE 180 N -0.14 0.67 -0.72 0.00 1.08 -0.25 -0.82 117.51 117.32 2jj1 h ILE 180 Ca 0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2jj1 h ILE 180 Cb 0.49 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 2jj1 h ILE 180 CO 0.01 0.00 0.47 0.44 -0.69 0.00 0.00 178.15 178.39 2jj1 h ASP 181 N -0.17 0.84 -0.71 1.72 3.45 -1.32 -0.37 116.42 119.85 2jj1 h ASP 181 Ca 0.07 -0.03 0.10 0.00 0.43 0.00 0.00 57.03 57.60 2jj1 h ASP 181 Cb 0.27 -0.21 -0.07 0.00 -0.56 0.00 0.00 39.33 38.76 2jj1 h ASP 181 CO -0.18 0.61 0.35 0.74 -1.57 0.00 0.00 179.24 179.19 2jj1 h THR 182 N 0.98 0.84 -0.31 0.35 2.02 -1.02 0.02 112.91 115.79 2jj1 h THR 182 Ca 0.26 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 2jj1 h THR 182 Cb -0.10 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2jj1 h THR 182 CO -0.06 0.11 -0.30 0.40 0.37 0.00 0.00 175.52 176.04 2jj1 h ILE 183 N 0.59 1.28 0.00 3.11 2.04 -0.39 -2.82 117.51 121.32 2jj1 h ILE 183 Ca 0.35 -1.41 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 2jj1 h ILE 183 Cb 0.38 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2jj1 h ILE 183 CO -0.28 0.46 -0.37 0.40 0.00 0.00 0.00 178.15 178.36 2jj1 h ILE 184 N 0.57 1.11 -0.12 -0.67 2.04 -0.15 -3.10 117.51 117.19 2jj1 h ILE 184 Ca 0.07 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.48 2jj1 h ILE 184 Cb 0.79 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2jj1 h ILE 184 CO 0.07 0.37 -0.39 -1.13 0.00 0.00 0.00 178.15 177.06 2jj1 h ASN 185 N 0.00 0.28 0.29 1.72 -1.24 -0.76 -3.18 115.58 112.68 2jj1 h ASN 185 Ca -0.00 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 56.86 2jj1 h ASN 185 Cb 0.73 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.70 2jj1 h ASN 185 CO 0.05 0.65 -0.15 1.56 -1.29 0.00 0.00 177.43 178.24 2jj1 h GLN 186 N 0.22 0.00 -0.94 6.67 1.08 -1.55 -2.94 115.11 117.66 2jj1 h GLN 186 Ca 0.02 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.41 2jj1 h GLN 186 Cb 0.80 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.05 2jj1 h GLN 186 CO 0.06 0.15 -0.23 1.17 -0.95 0.00 0.00 178.83 179.03 2jj1 n LYS 187 N -3.90 -0.08 0.31 1.46 4.81 -1.20 0.25 118.16 119.80 2jj1 n LYS 187 Ca -0.02 1.46 0.19 0.00 -0.87 0.00 0.00 58.31 59.07 2jj1 n LYS 187 Cb 0.25 -2.18 1.04 0.00 0.02 0.00 0.00 35.03 34.16 2jj1 n LYS 187 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2jj1 h ARG 188 N 0.00 0.00 0.01 1.64 0.11 -1.77 -1.38 114.38 112.99 2jj1 h ARG 188 Ca 0.45 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 60.17 2jj1 h ARG 188 Cb 0.68 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.70 2jj1 h ARG 188 CO -0.96 0.00 -2.25 1.19 0.10 0.00 0.00 179.97 178.05 2jj1 n PHE 189 N -3.45 0.28 0.14 4.08 0.99 0.14 -4.31 117.46 115.33 2jj1 n PHE 189 Ca -0.02 0.09 0.02 0.00 -0.00 0.00 0.00 57.45 57.53 2jj1 n PHE 189 Cb 0.12 -1.05 0.09 0.00 -1.00 0.00 0.00 39.48 37.64 2jj1 n PHE 189 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 2jj1 h ASN 190 N 0.01 0.00 0.44 4.37 2.35 -0.17 -2.56 115.58 120.01 2jj1 h ASN 190 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2jj1 h ASN 190 Cb 2.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.49 2jj1 h ASN 190 CO 0.02 0.55 -0.16 0.47 -1.65 0.00 0.00 177.43 176.66 2jj1 n ASP 191 N -3.34 0.47 -2.99 5.81 10.43 -0.61 -4.89 116.55 121.44 2jj1 n ASP 191 Ca 0.01 -0.44 -0.15 0.00 2.57 0.00 0.00 54.79 56.78 2jj1 n ASP 191 Cb 0.70 -0.07 0.11 0.00 1.84 0.00 0.00 41.12 43.71 2jj1 n ASP 191 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2jj1 n GLY 192 N 1.34 -1.49 0.49 0.44 0.00 -0.97 -5.02 105.19 99.98 2jj1 n GLY 192 Ca 0.12 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.53 2jj1 n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jj1 n THR 193 N -3.05 0.55 -2.83 2.61 -2.24 -1.26 -4.89 114.28 103.17 2jj1 n THR 193 Ca 0.09 -0.77 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 2jj1 n THR 193 Cb 0.30 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 2jj1 n THR 193 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jj1 s ASP 194 N -0.92 6.22 0.37 3.42 -1.08 -1.26 -4.91 116.67 118.50 2jj1 s ASP 194 Ca 0.16 -0.77 0.07 0.00 -0.52 0.00 0.00 52.55 51.50 2jj1 s ASP 194 Cb 0.10 -2.44 0.71 0.00 -1.46 0.00 0.00 42.92 39.83 2jj1 s ASP 194 CO 0.13 -1.42 1.90 -0.33 0.52 0.00 0.00 175.17 175.98 2jj1 h GLU 195 N 9.54 0.36 -0.92 4.34 4.39 -1.93 -2.75 114.58 127.62 2jj1 h GLU 195 Ca -0.28 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.42 2jj1 h GLU 195 Cb 1.07 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.60 2jj1 h GLU 195 CO 1.16 0.45 0.57 0.87 -1.16 0.00 0.00 179.01 180.90 2jj1 h LYS 196 N 0.35 0.96 0.00 2.33 1.79 -1.97 -3.11 116.57 116.92 2jj1 h LYS 196 Ca 0.07 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jj1 h LYS 196 Cb 0.34 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2jj1 h LYS 196 CO 0.02 0.64 -0.44 1.63 -1.08 0.00 0.00 179.45 180.21 2jj1 n LYS 197 N -4.62 0.18 -2.04 3.15 5.02 -1.04 -4.93 118.16 113.87 2jj1 n LYS 197 Ca 0.15 0.07 -0.37 0.00 -2.02 0.00 0.00 58.31 56.14 2jj1 n LYS 197 Cb 0.23 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 2jj1 n LYS 197 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jj1 s LYS 198 N -3.09 3.29 -0.13 1.97 1.02 -1.18 -4.85 119.74 116.76 2jj1 s LYS 198 Ca 0.09 1.91 -0.04 0.00 0.02 0.00 0.00 55.97 57.95 2jj1 s LYS 198 Cb 0.15 -2.18 0.06 0.00 -0.52 0.00 0.00 37.83 35.34 2jj1 s LYS 198 CO 0.68 -0.97 0.13 -1.17 -0.92 0.00 0.00 175.35 173.10 2jj1 s LEU 199 N -3.57 0.11 0.17 3.17 2.96 -1.26 -4.49 118.68 115.77 2jj1 s LEU 199 Ca 0.71 -0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 54.27 2jj1 s LEU 199 Cb -0.32 0.03 -0.07 0.00 0.50 0.00 0.00 46.19 46.32 2jj1 s LEU 199 CO 0.37 -0.30 0.61 -0.31 -1.32 0.00 0.00 176.35 175.40 2jj1 s TYR 200 N 2.22 3.63 0.10 5.38 1.51 -0.40 -4.90 117.35 124.90 2jj1 s TYR 200 Ca 0.04 1.18 0.09 0.00 -1.01 0.00 0.00 57.07 57.36 2jj1 s TYR 200 Cb -0.14 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 2jj1 s TYR 200 CO -0.08 0.41 -0.19 0.00 -1.11 0.00 0.00 175.55 174.58 2jj1 s ILE 202 N -1.07 0.42 -0.30 0.00 1.09 0.74 0.09 121.20 122.17 2jj1 s ILE 202 Ca 0.17 0.04 -0.06 0.00 -1.10 0.00 0.00 60.65 59.69 2jj1 s ILE 202 Cb -0.10 -0.61 0.02 0.00 -1.06 0.00 0.00 42.46 40.70 2jj1 s ILE 202 CO 0.08 0.22 0.07 -0.47 -0.10 0.00 0.00 174.94 174.75 2jj1 s TYR 203 N 1.95 3.16 -0.38 3.97 5.04 0.26 -0.63 117.35 130.72 2jj1 s TYR 203 Ca 0.04 -1.11 -0.19 0.00 -2.44 0.00 0.00 57.07 53.38 2jj1 s TYR 203 Cb -0.13 -2.24 0.01 0.00 0.35 0.00 0.00 41.96 39.95 2jj1 s TYR 203 CO -0.06 -0.62 0.56 0.08 -1.34 0.00 0.00 175.55 174.17 2jj1 s VAL 204 N 1.47 4.96 -0.45 3.14 1.01 0.35 -1.63 120.40 129.25 2jj1 s VAL 204 Ca 0.02 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2jj1 s VAL 204 Cb -0.18 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.19 2jj1 s VAL 204 CO 0.02 -0.34 0.62 0.00 0.00 0.00 0.00 175.10 175.41 2jj1 s ALA 205 N 2.52 3.35 -0.23 5.51 0.00 -0.18 -0.58 121.76 132.16 2jj1 s ALA 205 Ca 0.20 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 2jj1 s ALA 205 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2jj1 s ALA 205 CO 0.15 -1.80 0.05 0.42 0.00 0.00 0.00 175.76 174.57 2jj1 s ILE 206 N 2.75 4.23 0.00 0.00 1.09 0.18 0.21 121.20 129.65 2jj1 s ILE 206 Ca 0.21 -0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 2jj1 s ILE 206 Cb -0.15 -2.96 0.00 0.00 -1.06 0.00 0.00 42.46 38.29 2jj1 s ILE 206 CO 0.18 0.37 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 2jj1 n GLY 207 N 4.68 0.73 3.78 6.18 0.00 -0.41 -3.24 105.19 116.92 2jj1 n GLY 207 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2jj1 n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jj1 s GLN 208 N -0.27 1.75 0.23 1.61 -0.21 -1.26 -4.17 119.66 117.34 2jj1 s GLN 208 Ca 0.00 0.62 -0.16 0.00 0.02 0.00 0.00 55.36 55.85 2jj1 s GLN 208 Cb 0.00 -1.88 -0.08 0.00 1.00 0.00 0.00 33.01 32.05 2jj1 s GLN 208 CO 0.00 -1.85 0.65 -1.59 -2.12 0.00 0.00 175.29 170.38 2jj1 s LYS 209 N -5.12 4.05 0.21 2.91 -2.85 -1.26 -1.30 119.74 116.37 2jj1 s LYS 209 Ca 0.62 0.63 -0.10 0.00 -1.00 0.00 0.00 55.97 56.12 2jj1 s LYS 209 Cb -0.15 -2.75 0.29 0.00 -2.06 0.00 0.00 37.83 33.16 2jj1 s LYS 209 CO 0.55 0.35 1.72 0.00 0.10 0.00 0.00 175.35 178.06 2jj1 h ARG 210 N 3.04 0.30 -0.95 1.78 3.08 -1.98 -2.00 114.38 117.66 2jj1 h ARG 210 Ca -0.48 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.60 2jj1 h ARG 210 Cb 1.18 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 2jj1 h ARG 210 CO 0.66 0.20 0.62 0.66 -1.07 0.00 0.00 179.97 181.04 2jj1 h SER 211 N 0.31 1.01 -0.32 7.04 4.64 -1.99 0.29 113.55 124.53 2jj1 h SER 211 Ca 0.31 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 2jj1 h SER 211 Cb 0.44 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2jj1 h SER 211 CO -0.37 0.67 0.16 0.74 -0.87 0.00 0.00 176.83 177.17 2jj1 h THR 212 N 1.16 1.15 -0.98 2.95 2.02 -1.79 -1.91 112.91 115.50 2jj1 h THR 212 Ca 0.39 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.19 2jj1 h THR 212 Cb 0.08 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2jj1 h THR 212 CO -0.13 0.15 0.64 0.58 0.37 0.00 0.00 175.52 177.13 2jj1 h VAL 213 N 0.39 1.19 -0.54 3.16 2.07 -0.81 -0.85 116.25 120.86 2jj1 h VAL 213 Ca 0.11 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2jj1 h VAL 213 Cb 0.09 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 2jj1 h VAL 213 CO -0.02 0.23 0.11 0.00 0.02 0.00 0.00 177.57 177.92 2jj1 h ALA 214 N 1.39 0.71 -0.58 1.67 0.00 -0.48 -0.73 119.26 121.25 2jj1 h ALA 214 Ca 0.38 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2jj1 h ALA 214 Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jj1 h ALA 214 CO -0.11 0.43 0.16 1.96 0.00 0.00 0.00 179.25 181.68 2jj1 h GLN 215 N 0.77 0.89 0.26 0.00 1.08 -1.16 -1.89 115.11 115.06 2jj1 h GLN 215 Ca 0.17 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2jj1 h GLN 215 Cb 0.37 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2jj1 h GLN 215 CO 0.01 0.78 -0.43 1.25 -0.95 0.00 0.00 178.83 179.49 2jj1 h LEU 216 N 0.86 -1.24 -1.79 1.46 7.12 -0.01 -2.32 115.31 119.38 2jj1 h LEU 216 Ca 0.19 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 2jj1 h LEU 216 Cb 0.28 0.43 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 2jj1 h LEU 216 CO -0.00 -0.51 -0.02 -0.37 -0.13 0.00 0.00 178.44 177.40 2jj1 h VAL 217 N -0.73 0.08 -0.35 1.05 -1.51 -1.05 -2.16 116.25 111.58 2jj1 h VAL 217 Ca -0.03 -0.45 -0.07 0.00 -1.23 0.00 0.00 66.70 64.92 2jj1 h VAL 217 Cb 0.68 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2jj1 h VAL 217 CO -0.14 0.02 -0.05 0.50 -1.23 0.00 0.00 177.57 176.67 2jj1 h LYS 218 N 0.00 0.65 -0.45 5.19 1.63 -1.18 0.70 116.57 123.13 2jj1 h LYS 218 Ca -0.00 -0.23 -0.09 0.00 -0.85 0.00 0.00 60.65 59.48 2jj1 h LYS 218 Cb 0.41 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2jj1 h LYS 218 CO 0.00 0.80 -0.10 -0.09 -3.45 0.00 0.00 179.45 176.61 2jj1 h ARG 219 N 0.45 0.80 -0.27 1.90 9.65 -0.84 0.30 114.38 126.37 2jj1 h ARG 219 Ca 0.09 -0.26 -0.08 0.00 -1.10 0.00 0.00 59.98 58.63 2jj1 h ARG 219 Cb 0.53 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2jj1 h ARG 219 CO 0.03 0.87 -0.14 -0.07 2.80 0.00 0.00 179.97 183.45 2jj1 h LEU 220 N 0.72 0.59 -0.22 3.80 3.38 -1.36 -2.52 115.31 119.70 2jj1 h LEU 220 Ca 0.12 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jj1 h LEU 220 Cb 0.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2jj1 h LEU 220 CO 0.04 0.88 0.13 0.74 0.09 0.00 0.00 178.44 180.31 2jj1 h THR 221 N 0.30 1.09 -0.89 0.22 2.02 -0.49 0.30 112.91 115.47 2jj1 h THR 221 Ca 0.06 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.09 2jj1 h THR 221 Cb 0.66 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 2jj1 h THR 221 CO 0.04 0.09 0.58 0.44 0.37 0.00 0.00 175.52 177.04 2jj1 h ASP 222 N 0.27 0.87 -0.18 4.18 3.32 -0.46 0.15 116.42 124.57 2jj1 h ASP 222 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2jj1 h ASP 222 Cb 0.03 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2jj1 h ASP 222 CO -0.01 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.05 2jj1 n ALA 223 N -2.40 2.50 -2.99 3.45 0.00 -0.95 -4.88 120.51 115.23 2jj1 n ALA 223 Ca 0.14 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 2jj1 n ALA 223 Cb 0.22 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.69 2jj1 n ALA 223 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jj1 n ASP 224 N 0.04 -4.85 -0.00 0.00 2.03 0.52 -4.84 116.55 109.45 2jj1 n ASP 224 Ca 0.06 -0.22 0.06 0.00 0.52 0.00 0.00 54.79 55.21 2jj1 n ASP 224 Cb 0.18 -3.99 -0.13 0.00 -0.72 0.00 0.00 41.12 36.46 2jj1 n ASP 224 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jj1 n ALA 225 N -3.18 2.43 0.04 -1.67 0.00 1.00 -4.45 120.51 114.67 2jj1 n ALA 225 Ca -0.09 -0.62 0.10 0.00 0.00 0.00 0.00 53.44 52.82 2jj1 n ALA 225 Cb 0.60 -0.73 0.54 0.00 0.00 0.00 0.00 19.45 19.85 2jj1 n ALA 225 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2jj1 h MET 226 N 0.00 0.29 -0.05 0.00 2.86 -1.83 -2.96 114.93 113.24 2jj1 h MET 226 Ca -0.11 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2jj1 h MET 226 Cb 1.29 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 2jj1 h MET 226 CO 0.01 0.19 0.08 1.57 1.06 0.00 0.00 176.91 179.82 2jj1 h LYS 227 N 0.30 0.00 -0.11 1.72 2.10 -1.91 -0.37 116.57 118.30 2jj1 h LYS 227 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2jj1 h LYS 227 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2jj1 h LYS 227 CO -0.04 0.00 0.00 2.48 -2.00 0.00 0.00 179.45 179.89 2jj1 n TYR 228 N -3.57 0.28 -5.23 0.07 0.18 -1.12 -3.86 117.16 103.91 2jj1 n TYR 228 Ca -0.02 -0.79 -0.32 0.00 1.88 0.00 0.00 57.90 58.65 2jj1 n TYR 228 Cb 0.17 -0.15 -0.16 0.00 -0.38 0.00 0.00 39.34 38.81 2jj1 n TYR 228 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2jj1 s THR 229 N -2.21 2.14 -0.22 -3.48 2.01 -0.20 -0.62 115.64 113.07 2jj1 s THR 229 Ca 0.26 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 2jj1 s THR 229 Cb 0.21 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 2jj1 s THR 229 CO 0.05 0.57 0.13 -0.63 -0.69 0.00 0.00 174.62 174.06 2jj1 s ILE 230 N -0.13 5.24 -0.31 1.82 1.01 0.11 -2.29 121.20 126.66 2jj1 s ILE 230 Ca -0.04 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 2jj1 s ILE 230 Cb -0.14 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.92 2jj1 s ILE 230 CO 0.04 0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.79 2jj1 s VAL 231 N 0.79 4.19 -0.45 2.92 1.01 -0.96 -0.58 120.40 127.33 2jj1 s VAL 231 Ca 0.07 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2jj1 s VAL 231 Cb -0.13 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.17 2jj1 s VAL 231 CO 0.02 0.04 0.32 -0.69 0.00 0.00 0.00 175.10 174.79 2jj1 s VAL 232 N 1.53 4.41 -0.27 2.92 1.01 -0.64 -0.79 120.40 128.57 2jj1 s VAL 232 Ca 0.03 -1.48 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 2jj1 s VAL 232 Cb -0.17 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2jj1 s VAL 232 CO 0.04 -0.62 -0.02 -0.55 0.00 0.00 0.00 175.10 173.95 2jj1 s SER 233 N 2.45 4.61 -0.57 3.32 0.15 -0.47 -1.01 113.70 122.18 2jj1 s SER 233 Ca 0.04 -0.97 -0.01 0.00 0.70 0.00 0.00 55.95 55.71 2jj1 s SER 233 Cb -0.25 -1.71 0.15 0.00 -1.71 0.00 0.00 66.02 62.50 2jj1 s SER 233 CO 0.02 -0.18 0.36 0.00 1.20 0.00 0.00 173.24 174.64 2jj1 s ALA 234 N 1.33 3.45 0.92 5.45 0.00 0.13 -4.19 121.76 128.85 2jj1 s ALA 234 Ca -0.01 -3.15 -0.09 0.00 0.00 0.00 0.00 51.96 48.70 2jj1 s ALA 234 Cb -0.18 -2.51 0.15 0.00 0.00 0.00 0.00 23.12 20.58 2jj1 s ALA 234 CO -0.02 -2.04 0.92 0.25 0.00 0.00 0.00 175.76 174.87 2jj1 n THR 235 N 3.57 0.00 0.25 0.00 -2.24 -1.26 -1.29 114.28 113.32 2jj1 n THR 235 Ca 0.06 -0.83 0.10 0.00 -2.27 0.00 0.00 64.05 61.11 2jj1 n THR 235 Cb 0.37 -1.49 0.66 0.00 -2.10 0.00 0.00 70.33 67.77 2jj1 n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jj1 h ALA 236 N -1.55 1.55 -0.45 6.98 0.00 -1.36 -0.04 119.26 124.39 2jj1 h ALA 236 Ca -0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jj1 h ALA 236 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jj1 h ALA 236 CO 0.23 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 2jj1 n SER 237 N -4.02 3.32 -4.72 0.00 3.41 -1.26 -4.87 113.62 105.48 2jj1 n SER 237 Ca -0.02 -1.97 -0.40 0.00 -0.26 0.00 0.00 58.87 56.22 2jj1 n SER 237 Cb 0.20 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 2jj1 n SER 237 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jj1 s ASP 238 N -1.35 7.05 0.58 4.04 1.01 -0.03 -5.01 116.67 122.96 2jj1 s ASP 238 Ca 0.40 1.26 -0.17 0.00 0.71 0.00 0.00 52.55 54.75 2jj1 s ASP 238 Cb 0.22 -2.44 -0.14 0.00 1.01 0.00 0.00 42.92 41.58 2jj1 s ASP 238 CO 0.31 -0.14 -0.26 0.00 0.21 0.00 0.00 175.17 175.30 2jj1 n ALA 239 N 3.79 -3.49 -0.11 5.23 0.00 -1.26 -4.64 120.51 120.03 2jj1 n ALA 239 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 2jj1 n ALA 239 Cb 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2jj1 n ALA 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jj1 h ALA 240 N -0.21 0.04 -0.16 0.00 0.00 -1.91 -1.78 119.26 115.26 2jj1 h ALA 240 Ca -0.39 0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2jj1 h ALA 240 Cb 1.34 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2jj1 h ALA 240 CO 0.36 -0.59 0.13 -1.00 0.00 0.00 0.00 179.25 178.15 2jj1 h PRO 241 N -0.15 0.00 -0.10 0.00 0.13 -1.86 -2.00 132.00 128.02 2jj1 h PRO 241 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 2jj1 h PRO 241 Cb 0.44 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2jj1 h PRO 241 CO -0.47 0.00 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.22 2jj1 h LEU 242 N 0.00 0.18 -2.45 1.56 3.38 -1.64 -0.83 115.31 115.53 2jj1 h LEU 242 Ca 0.08 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jj1 h LEU 242 Cb 0.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jj1 h LEU 242 CO -0.00 0.48 -0.02 1.56 0.09 0.00 0.00 178.44 180.55 2jj1 h GLN 243 N -0.11 0.00 -0.08 1.13 4.20 -1.37 -1.05 115.11 117.83 2jj1 h GLN 243 Ca 0.03 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.52 2jj1 h GLN 243 Cb 0.39 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.18 2jj1 h GLN 243 CO 0.01 0.02 -0.80 -0.92 -0.67 0.00 0.00 178.83 176.47 2jj1 h TYR 244 N 0.00 0.96 0.02 2.96 3.20 -0.83 -3.35 116.97 119.92 2jj1 h TYR 244 Ca -0.00 -0.46 -0.23 0.00 3.14 0.00 0.00 58.73 61.18 2jj1 h TYR 244 Cb 0.04 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2jj1 h TYR 244 CO 0.00 1.29 -1.10 -0.07 -1.64 0.00 0.00 178.16 176.64 2jj1 h LEU 245 N 0.35 0.07 -0.78 2.82 3.38 -0.24 -3.39 115.31 117.51 2jj1 h LEU 245 Ca -0.08 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 57.97 2jj1 h LEU 245 Cb 1.45 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 42.03 2jj1 h LEU 245 CO 0.16 1.06 -0.22 0.00 0.09 0.00 0.00 178.44 179.53 2jj1 h ALA 246 N 0.93 0.46 -0.71 1.53 0.00 -1.37 0.19 119.26 120.30 2jj1 h ALA 246 Ca -0.05 0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.21 2jj1 h ALA 246 Cb 1.82 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 20.18 2jj1 h ALA 246 CO 0.14 -0.44 0.40 -1.35 0.00 0.00 0.00 179.25 178.00 2jj1 h PRO 247 N -0.01 0.71 -0.19 0.00 0.11 -1.80 0.15 132.00 130.96 2jj1 h PRO 247 Ca 0.36 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 2jj1 h PRO 247 Cb 0.57 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2jj1 h PRO 247 CO -0.81 0.47 0.07 1.88 -0.21 0.00 0.00 178.00 179.40 2jj1 h TYR 248 N 0.73 0.30 -0.38 0.65 -1.99 -0.98 0.24 116.97 115.55 2jj1 h TYR 248 Ca 0.32 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 61.06 2jj1 h TYR 248 Cb 0.20 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 2jj1 h TYR 248 CO -0.07 0.37 0.16 0.77 -0.00 0.00 0.00 178.16 179.40 2jj1 h SER 249 N 0.15 0.21 -0.49 3.88 0.02 -0.64 0.30 113.55 116.99 2jj1 h SER 249 Ca 0.06 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2jj1 h SER 249 Cb 0.21 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2jj1 h SER 249 CO -0.00 0.16 0.31 1.23 -1.14 0.00 0.00 176.83 177.39 2jj1 h GLY 250 N 0.34 0.69 0.94 -3.77 0.00 -0.64 -2.18 103.07 98.45 2jj1 h GLY 250 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.27 2jj1 h GLY 250 CO -0.15 0.23 0.32 0.00 0.00 0.00 0.00 176.54 176.94 2jj1 h SER 252 N 0.64 0.77 -0.72 0.00 0.02 -0.23 -1.82 113.55 112.22 2jj1 h SER 252 Ca 0.19 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2jj1 h SER 252 Cb -0.03 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2jj1 h SER 252 CO -0.07 0.58 0.48 0.24 -1.14 0.00 0.00 176.83 176.92 2jj1 h MET 253 N 0.89 0.87 0.00 3.45 2.86 -0.81 -1.09 114.93 121.10 2jj1 h MET 253 Ca 0.24 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2jj1 h MET 253 Cb -0.07 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.39 2jj1 h MET 253 CO -0.05 0.57 0.00 0.78 1.06 0.00 0.00 176.91 179.27 2jj1 h GLY 254 N 0.89 0.00 1.98 8.32 0.00 -0.82 -3.09 103.07 110.36 2jj1 h GLY 254 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.45 2jj1 h GLY 254 CO -0.08 0.00 -0.80 0.83 0.00 0.00 0.00 176.54 176.49 2jj1 h GLU 255 N 0.00 0.00 -0.88 4.80 5.08 -0.38 -2.83 114.58 120.37 2jj1 h GLU 255 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2jj1 h GLU 255 Cb 0.64 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 2jj1 h GLU 255 CO 0.00 0.78 0.50 -0.92 -1.00 0.00 0.00 179.01 178.37 2jj1 h TYR 256 N 0.00 0.89 0.02 4.33 3.20 -1.41 0.16 116.97 124.16 2jj1 h TYR 256 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jj1 h TYR 256 Cb 1.61 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.62 2jj1 h TYR 256 CO 0.00 0.29 -0.01 0.74 -1.64 0.00 0.00 178.16 177.54 2jj1 h PHE 257 N 0.75 -0.03 -0.68 -3.82 -1.00 -1.69 -2.83 116.94 107.64 2jj1 h PHE 257 Ca 0.46 -0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.38 2jj1 h PHE 257 Cb 0.56 0.01 -0.11 0.00 3.61 0.00 0.00 35.95 40.02 2jj1 h PHE 257 CO -0.06 0.54 0.09 -0.09 -1.61 0.00 0.00 178.31 177.19 2jj1 h ARG 258 N -0.62 0.19 0.00 1.51 2.43 -1.16 0.18 114.38 116.91 2jj1 h ARG 258 Ca -0.00 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 2jj1 h ARG 258 Cb 0.58 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2jj1 h ARG 258 CO 0.01 0.13 -0.67 -0.44 -1.51 0.00 0.00 179.97 177.48 2jj1 h ASP 259 N 0.20 0.00 -0.95 -3.80 3.32 -0.79 -3.29 116.42 111.11 2jj1 h ASP 259 Ca 0.37 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.78 2jj1 h ASP 259 Cb 0.62 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.86 2jj1 h ASP 259 CO -0.52 0.67 0.59 0.59 -1.72 0.00 0.00 179.24 178.85 2jj1 n ASN 260 N -3.32 6.92 0.00 6.45 3.02 -1.03 -4.76 115.26 122.54 2jj1 n ASN 260 Ca 0.01 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 2jj1 n ASN 260 Cb 0.78 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2jj1 n ASN 260 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jj1 n GLY 261 N -0.91 0.71 3.57 7.41 0.00 -1.16 -4.96 105.19 109.85 2jj1 n GLY 261 Ca 0.59 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 2jj1 n GLY 261 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jj1 n LYS 262 N -2.52 0.77 -4.69 1.61 5.02 0.59 -4.33 118.16 114.61 2jj1 n LYS 262 Ca 0.00 -3.44 -0.26 0.00 -2.02 0.00 0.00 58.31 52.59 2jj1 n LYS 262 Cb 0.00 0.67 -0.17 0.00 -0.02 0.00 0.00 35.03 35.51 2jj1 n LYS 262 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2jj1 s HIS 263 N -2.69 1.62 0.15 2.13 3.76 -1.26 -0.61 115.29 118.38 2jj1 s HIS 263 Ca 0.14 -0.59 0.08 0.00 -0.15 0.00 0.00 55.06 54.54 2jj1 s HIS 263 Cb -0.01 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 2jj1 s HIS 263 CO 0.09 -0.28 -0.18 0.00 -0.85 0.00 0.00 174.74 173.52 2jj1 s ALA 264 N 0.54 1.92 -0.10 -1.40 0.00 -0.38 -1.27 121.76 121.06 2jj1 s ALA 264 Ca -0.14 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.44 2jj1 s ALA 264 Cb -0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 2jj1 s ALA 264 CO 0.04 0.25 -0.23 -1.17 0.00 0.00 0.00 175.76 174.65 2jj1 s LEU 265 N -2.48 2.15 -0.13 0.00 2.96 0.12 -1.18 118.68 120.12 2jj1 s LEU 265 Ca 0.13 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2jj1 s LEU 265 Cb -0.07 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.20 2jj1 s LEU 265 CO 0.06 0.17 -0.20 -0.51 -1.32 0.00 0.00 176.35 174.54 2jj1 s ILE 266 N 0.29 2.31 -0.21 6.68 2.07 0.22 -0.19 121.20 132.37 2jj1 s ILE 266 Ca -0.17 -0.91 -0.04 0.00 -1.41 0.00 0.00 60.65 58.12 2jj1 s ILE 266 Cb -0.17 -1.93 -0.01 0.00 0.13 0.00 0.00 42.46 40.48 2jj1 s ILE 266 CO 0.08 0.54 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.99 2jj1 s ILE 267 N 0.58 3.51 -0.32 2.00 1.09 0.20 0.00 121.20 128.26 2jj1 s ILE 267 Ca -0.12 -0.45 -0.12 0.00 -1.10 0.00 0.00 60.65 58.86 2jj1 s ILE 267 Cb -0.16 -2.59 -0.02 0.00 -1.06 0.00 0.00 42.46 38.63 2jj1 s ILE 267 CO 0.03 0.43 0.21 -0.31 -0.10 0.00 0.00 174.94 175.20 2jj1 s TYR 268 N 1.31 3.21 -0.34 3.97 1.51 -1.07 -0.49 117.35 125.45 2jj1 s TYR 268 Ca 0.04 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2jj1 s TYR 268 Cb -0.14 -2.43 0.12 0.00 -0.11 0.00 0.00 41.96 39.39 2jj1 s TYR 268 CO -0.01 -0.35 0.16 0.34 -1.11 0.00 0.00 175.55 174.58 2jj1 s ASP 269 N 1.70 3.58 0.38 2.29 2.15 0.26 -0.62 116.67 126.40 2jj1 s ASP 269 Ca 0.06 -1.91 0.01 0.00 0.43 0.00 0.00 52.55 51.14 2jj1 s ASP 269 Cb -0.17 -0.67 -0.01 0.00 -0.30 0.00 0.00 42.92 41.77 2jj1 s ASP 269 CO 0.10 -0.36 0.05 -0.90 -0.17 0.00 0.00 175.17 173.88 2jj1 n ASP 270 N 4.46 2.32 -0.00 -0.34 5.68 -1.20 0.50 116.55 127.96 2jj1 n ASP 270 Ca 0.03 -2.78 0.02 0.00 -0.50 0.00 0.00 54.79 51.56 2jj1 n ASP 270 Cb 0.39 0.52 -0.11 0.00 -1.14 0.00 0.00 41.12 40.77 2jj1 n ASP 270 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2jj1 n LEU 271 N 0.00 0.43 -0.10 -2.12 4.77 0.30 -3.45 117.00 116.83 2jj1 n LEU 271 Ca -0.12 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 2jj1 n LEU 271 Cb 0.51 0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2jj1 n LEU 271 CO 0.27 0.14 0.66 0.28 -1.33 0.00 0.00 177.39 177.41 2jj1 h SER 272 N 0.00 -0.97 -0.36 -1.43 0.02 -1.92 0.29 113.55 109.18 2jj1 h SER 272 Ca -0.18 0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2jj1 h SER 272 Cb 1.49 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 64.48 2jj1 h SER 272 CO 0.02 -0.31 -0.06 0.11 -1.14 0.00 0.00 176.83 175.46 2jj1 h LYS 273 N -0.25 0.77 -0.12 3.45 1.57 -1.90 -0.72 116.57 119.38 2jj1 h LYS 273 Ca 0.17 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2jj1 h LYS 273 Cb 0.52 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2jj1 h LYS 273 CO -0.50 0.82 0.04 0.37 -0.57 0.00 0.00 179.45 179.61 2jj1 h GLN 274 N 0.71 0.09 -0.65 3.15 4.15 -1.50 -1.75 115.11 119.31 2jj1 h GLN 274 Ca 0.13 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.56 2jj1 h GLN 274 Cb 0.52 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 2jj1 h GLN 274 CO 0.03 0.06 0.42 0.00 -1.93 0.00 0.00 178.83 177.41 2jj1 h ALA 275 N 1.08 0.83 -0.77 3.38 0.00 -0.31 -1.31 119.26 122.15 2jj1 h ALA 275 Ca 0.05 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2jj1 h ALA 275 Cb 0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 2jj1 h ALA 275 CO -0.06 0.21 0.43 0.28 0.00 0.00 0.00 179.25 180.12 2jj1 h VAL 276 N 0.84 0.92 -0.63 0.00 2.07 -0.98 0.50 116.25 118.98 2jj1 h VAL 276 Ca 0.25 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2jj1 h VAL 276 Cb -0.05 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 2jj1 h VAL 276 CO -0.07 0.14 0.09 0.00 0.02 0.00 0.00 177.57 177.74 2jj1 h ALA 277 N 1.42 0.97 -0.23 1.67 0.00 -0.35 -1.30 119.26 121.44 2jj1 h ALA 277 Ca 0.37 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2jj1 h ALA 277 Cb 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jj1 h ALA 277 CO -0.23 0.64 -0.19 -0.92 0.00 0.00 0.00 179.25 178.55 2jj1 h TYR 278 N 0.97 0.65 -0.96 0.00 3.20 -0.49 -2.70 116.97 117.64 2jj1 h TYR 278 Ca 0.19 -0.18 0.18 0.00 3.14 0.00 0.00 58.73 62.05 2jj1 h TYR 278 Cb 0.44 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.48 2jj1 h TYR 278 CO 0.03 0.86 0.61 -0.09 -1.64 0.00 0.00 178.16 177.93 2jj1 h ARG 279 N 0.25 0.66 0.45 1.82 2.43 0.20 0.84 114.38 121.04 2jj1 h ARG 279 Ca 0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2jj1 h ARG 279 Cb 0.73 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2jj1 h ARG 279 CO 0.05 0.44 -0.22 0.37 -1.51 0.00 0.00 179.97 179.10 2jj1 h GLN 280 N 0.68 -0.59 -0.82 0.20 4.15 -1.05 -1.89 115.11 115.80 2jj1 h GLN 280 Ca 0.51 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.96 2jj1 h GLN 280 Cb 0.89 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 2jj1 h GLN 280 CO -0.27 -0.36 0.46 0.52 -1.93 0.00 0.00 178.83 177.24 2jj1 h MET 281 N -0.67 1.14 0.20 1.69 2.86 -0.96 -1.33 114.93 117.86 2jj1 h MET 281 Ca -0.06 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2jj1 h MET 281 Cb 0.50 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2jj1 h MET 281 CO 0.10 0.83 -0.10 0.77 1.06 0.00 0.00 176.91 179.58 2jj1 h SER 282 N 1.14 -0.23 -0.95 1.22 0.02 -0.78 0.95 113.55 114.92 2jj1 h SER 282 Ca 0.29 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2jj1 h SER 282 Cb 0.02 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 2jj1 h SER 282 CO -0.05 0.06 0.61 -0.07 -1.14 0.00 0.00 176.83 176.24 2jj1 h LEU 283 N -0.52 0.99 -0.50 5.07 3.38 -1.24 0.32 115.31 122.81 2jj1 h LEU 283 Ca -0.03 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2jj1 h LEU 283 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2jj1 h LEU 283 CO 0.04 0.65 -0.71 -0.07 0.09 0.00 0.00 178.44 178.44 2jj1 h LEU 284 N 1.13 0.28 0.00 1.67 3.38 -1.13 -0.92 115.31 119.71 2jj1 h LEU 284 Ca 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2jj1 h LEU 284 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jj1 h LEU 284 CO -0.16 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.45 2jj1 n LEU 285 N -3.79 0.00 -1.38 1.67 4.77 0.32 -4.89 117.00 113.69 2jj1 n LEU 285 Ca -0.03 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2jj1 n LEU 285 Cb 0.69 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2jj1 n LEU 285 CO 0.46 -0.06 -0.16 0.54 -1.33 0.00 0.00 177.39 176.84 2jj1 n ARG 286 N -1.17 -0.99 -1.85 3.23 1.74 -0.04 -5.02 116.66 112.57 2jj1 n ARG 286 Ca 0.11 0.63 -0.32 0.00 -0.77 0.00 0.00 57.85 57.51 2jj1 n ARG 286 Cb 0.12 -4.81 0.02 0.00 -1.02 0.00 0.00 32.46 26.77 2jj1 n ARG 286 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jj1 s ARG 287 N -4.49 3.28 0.05 5.56 0.52 -0.36 -4.98 118.95 118.54 2jj1 s ARG 287 Ca 0.00 0.98 -0.31 0.00 -0.52 0.00 0.00 55.73 55.88 2jj1 s ARG 287 Cb 0.00 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 33.37 2jj1 s ARG 287 CO 0.00 -0.83 1.33 -2.14 0.02 0.00 0.00 175.30 173.69 2jj1 s PRO 288 N -4.70 4.34 0.25 3.54 0.02 -1.26 -4.53 135.00 132.66 2jj1 s PRO 288 Ca 0.59 1.94 -0.28 0.00 0.02 0.00 0.00 61.00 63.27 2jj1 s PRO 288 Cb -0.13 -3.40 -0.09 0.00 0.02 0.00 0.00 34.50 30.90 2jj1 s PRO 288 CO 0.47 -0.44 0.91 -1.25 -0.33 0.00 0.00 177.00 176.37 2jj1 s PRO 289 N 1.59 4.74 0.00 5.54 0.04 -1.26 -4.38 135.00 141.27 2jj1 s PRO 289 Ca 0.62 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2jj1 s PRO 289 Cb -0.32 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2jj1 s PRO 289 CO 0.28 0.46 0.00 0.41 0.04 0.00 0.00 177.00 178.19 2jj1 n GLY 290 N 1.24 4.91 3.63 0.56 0.00 0.90 -4.89 105.19 111.53 2jj1 n GLY 290 Ca -0.01 -1.79 -0.49 0.00 0.00 0.00 0.00 46.02 43.72 2jj1 n GLY 290 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jj1 n ARG 291 N 0.00 1.62 -1.52 1.61 0.63 -1.26 0.13 116.66 117.86 2jj1 n ARG 291 Ca 0.00 0.58 -0.18 0.00 -0.92 0.00 0.00 57.85 57.33 2jj1 n ARG 291 Cb 0.00 -2.29 -0.08 0.00 0.45 0.00 0.00 32.46 30.54 2jj1 n ARG 291 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jj1 n GLU 292 N 3.00 -1.48 -1.19 -0.14 1.02 -1.26 -1.81 120.64 118.78 2jj1 n GLU 292 Ca 0.18 1.11 -0.06 0.00 -0.02 0.00 0.00 57.16 58.36 2jj1 n GLU 292 Cb 0.24 -5.48 -0.03 0.00 -0.02 0.00 0.00 31.44 26.15 2jj1 n GLU 292 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jj1 n ALA 293 N 1.22 -0.10 -1.79 0.62 0.00 0.12 -5.01 120.51 115.57 2jj1 n ALA 293 Ca -0.18 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2jj1 n ALA 293 Cb 0.63 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 2jj1 n ALA 293 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jj1 s TYR 294 N -1.91 3.26 0.87 0.00 1.51 -0.75 -4.33 117.35 116.00 2jj1 s TYR 294 Ca 0.00 1.64 -0.13 0.00 -1.01 0.00 0.00 57.07 57.57 2jj1 s TYR 294 Cb 0.00 -3.03 0.12 0.00 -0.11 0.00 0.00 41.96 38.94 2jj1 s TYR 294 CO 0.00 -0.47 1.19 -1.25 -1.11 0.00 0.00 175.55 173.91 2jj1 s PRO 295 N -2.77 1.45 0.00 -1.71 0.04 -1.26 -0.07 135.00 130.68 2jj1 s PRO 295 Ca 0.60 0.08 0.13 0.00 0.04 0.00 0.00 61.00 61.85 2jj1 s PRO 295 Cb -0.17 -1.89 0.59 0.00 0.04 0.00 0.00 34.50 33.06 2jj1 s PRO 295 CO 0.22 -1.94 1.39 0.41 0.04 0.00 0.00 177.00 177.12 2jj1 n GLY 296 N -3.02 -0.87 1.06 0.56 0.00 -1.26 -3.03 105.19 98.63 2jj1 n GLY 296 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2jj1 n GLY 296 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jj1 n ASP 297 N -1.43 4.08 -0.00 1.61 5.75 -1.26 -4.64 116.55 120.65 2jj1 n ASP 297 Ca 0.04 -3.05 -0.15 0.00 -0.01 0.00 0.00 54.79 51.62 2jj1 n ASP 297 Cb 0.14 -0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 39.61 2jj1 n ASP 297 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2jj1 h VAL 298 N 2.05 1.30 -0.48 2.12 3.04 -1.92 -1.05 116.25 121.32 2jj1 h VAL 298 Ca 0.02 -2.01 0.02 0.00 -1.01 0.00 0.00 66.70 63.72 2jj1 h VAL 298 Cb 1.55 2.00 -0.03 0.00 -2.01 0.00 0.00 31.29 32.80 2jj1 h VAL 298 CO 0.28 0.63 0.29 0.15 -1.01 0.00 0.00 177.57 177.91 2jj1 h PHE 299 N 0.48 0.54 -0.34 3.17 3.57 -1.86 -2.82 116.94 119.68 2jj1 h PHE 299 Ca -0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2jj1 h PHE 299 Cb 1.37 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2jj1 h PHE 299 CO 0.08 0.32 0.09 -0.92 -2.23 0.00 0.00 178.31 175.64 2jj1 h TYR 300 N 0.58 0.16 -0.24 0.41 3.20 -1.85 0.46 116.97 119.69 2jj1 h TYR 300 Ca 0.19 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.11 2jj1 h TYR 300 Cb 0.00 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 2jj1 h TYR 300 CO -0.06 0.05 -0.30 1.25 -1.64 0.00 0.00 178.16 177.45 2jj1 h LEU 301 N 0.22 -1.02 -0.82 2.82 5.85 -1.04 -0.04 115.31 121.28 2jj1 h LEU 301 Ca 0.16 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 2jj1 h LEU 301 Cb 0.16 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2jj1 h LEU 301 CO -0.19 -0.21 -0.25 0.45 -0.34 0.00 0.00 178.44 177.90 2jj1 h HIS 302 N -0.20 0.68 -0.03 1.25 3.86 -1.33 -3.10 115.15 116.27 2jj1 h HIS 302 Ca 0.04 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 58.99 2jj1 h HIS 302 Cb 0.32 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2jj1 h HIS 302 CO -0.69 0.80 -0.50 0.66 0.86 0.00 0.00 177.93 179.06 2jj1 h SER 303 N 0.53 0.09 1.33 2.45 4.64 0.24 -1.70 113.55 121.13 2jj1 h SER 303 Ca 0.07 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 2jj1 h SER 303 Cb 0.71 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2jj1 h SER 303 CO 0.05 0.57 -0.41 0.08 -0.87 0.00 0.00 176.83 176.25 2jj1 h ARG 304 N 0.06 0.00 0.26 4.77 0.11 -1.00 -2.39 114.38 116.20 2jj1 h ARG 304 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2jj1 h ARG 304 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 2jj1 h ARG 304 CO 0.07 0.41 -0.13 1.25 0.10 0.00 0.00 179.97 181.68 2jj1 h LEU 305 N 0.00 -0.30 -0.61 0.08 5.85 -1.43 -3.34 115.31 115.56 2jj1 h LEU 305 Ca -0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2jj1 h LEU 305 Cb 1.19 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2jj1 h LEU 305 CO 0.05 0.09 0.00 -0.07 -0.34 0.00 0.00 178.44 178.18 2jj1 h LEU 306 N -0.74 0.00 -1.40 2.25 3.38 -1.35 -2.53 115.31 114.93 2jj1 h LEU 306 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2jj1 h LEU 306 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jj1 h LEU 306 CO 0.06 0.00 -0.28 -0.33 0.09 0.00 0.00 178.44 177.98 2jj1 h GLU 307 N 0.00 0.00 0.00 1.13 4.39 -1.56 -2.96 114.58 115.58 2jj1 h GLU 307 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jj1 h GLU 307 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2jj1 h GLU 307 CO 0.00 0.28 0.00 0.54 -1.16 0.00 0.00 179.01 178.67 2jj1 n ARG 308 N -3.81 0.30 -3.20 2.33 1.74 -0.95 -4.50 116.66 108.56 2jj1 n ARG 308 Ca -0.01 0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.77 2jj1 n ARG 308 Cb 0.37 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 2jj1 n ARG 308 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jj1 s ALA 309 N -2.37 3.54 -0.26 7.54 0.00 -1.12 -4.84 121.76 124.25 2jj1 s ALA 309 Ca 0.17 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 2jj1 s ALA 309 Cb 0.10 -2.72 0.18 0.00 0.00 0.00 0.00 23.12 20.68 2jj1 s ALA 309 CO 0.20 0.32 1.28 0.00 0.00 0.00 0.00 175.76 177.56 2jj1 s ALA 310 N -0.86 -2.08 -0.34 0.00 0.00 -0.63 -4.93 121.76 112.91 2jj1 s ALA 310 Ca 0.31 1.83 -0.13 0.00 0.00 0.00 0.00 51.96 53.97 2jj1 s ALA 310 Cb -0.20 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2jj1 s ALA 310 CO 0.20 -0.25 0.24 0.21 0.00 0.00 0.00 175.76 176.15 2jj1 s LYS 311 N -1.04 3.43 0.38 0.00 2.47 -1.26 -2.13 119.74 121.59 2jj1 s LYS 311 Ca 0.07 -0.69 -0.18 0.00 -1.56 0.00 0.00 55.97 53.61 2jj1 s LYS 311 Cb -0.01 -3.80 -0.10 0.00 -1.46 0.00 0.00 37.83 32.46 2jj1 s LYS 311 CO -0.06 -0.47 0.84 -1.64 0.16 0.00 0.00 175.35 174.18 2jj1 s MET 312 N 1.71 4.10 0.88 4.03 -1.94 -0.43 -2.31 119.30 125.35 2jj1 s MET 312 Ca 0.06 0.88 -0.12 0.00 -1.71 0.00 0.00 55.69 54.79 2jj1 s MET 312 Cb -0.18 -2.31 0.12 0.00 2.01 0.00 0.00 34.83 34.48 2jj1 s MET 312 CO 0.10 0.05 1.14 0.54 -0.01 0.00 0.00 175.02 176.85 2jj1 s ASN 313 N -2.28 3.77 0.25 3.03 2.20 -1.00 -4.16 114.94 116.74 2jj1 s ASN 313 Ca 0.58 0.94 -0.05 0.00 -0.94 0.00 0.00 52.86 53.39 2jj1 s ASN 313 Cb -0.10 -1.50 0.33 0.00 -2.00 0.00 0.00 41.25 37.99 2jj1 s ASN 313 CO 0.16 -2.39 1.88 0.44 -2.94 0.00 0.00 177.10 174.25 2jj1 h ASP 314 N -1.39 0.96 -0.96 3.54 3.32 -1.91 0.16 116.42 120.14 2jj1 h ASP 314 Ca -0.49 0.00 0.24 0.00 0.02 0.00 0.00 57.03 56.80 2jj1 h ASP 314 Cb 1.33 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 2jj1 h ASP 314 CO 0.63 0.63 0.64 0.00 -1.72 0.00 0.00 179.24 179.42 2jj1 h ALA 315 N 1.41 2.38 -0.68 3.45 0.00 -1.97 -1.19 119.26 122.66 2jj1 h ALA 315 Ca 0.39 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2jj1 h ALA 315 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jj1 h ALA 315 CO -0.15 -0.70 0.00 1.19 0.00 0.00 0.00 179.25 179.59 2jj1 n PHE 316 N -4.48 0.91 0.00 0.00 3.01 -0.74 -4.93 117.46 111.23 2jj1 n PHE 316 Ca 0.21 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 58.18 2jj1 n PHE 316 Cb 0.83 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 2jj1 n PHE 316 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jj1 n GLY 317 N 1.50 2.64 2.43 1.37 0.00 -0.45 -4.72 105.19 107.96 2jj1 n GLY 317 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 2jj1 n GLY 317 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jj1 n GLY 318 N -0.76 0.32 1.72 -0.02 0.00 0.48 -4.33 105.19 102.59 2jj1 n GLY 318 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2jj1 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jj1 n GLY 319 N -1.26 -1.14 3.46 -0.02 0.00 -1.24 -4.67 105.19 100.31 2jj1 n GLY 319 Ca -0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 2jj1 n GLY 319 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jj1 s SER 320 N -3.14 -0.51 -0.10 1.61 1.04 0.22 -1.31 113.70 111.51 2jj1 s SER 320 Ca 0.33 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.85 2jj1 s SER 320 Cb -0.01 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2jj1 s SER 320 CO 0.23 -0.80 -0.05 -0.22 0.98 0.00 0.00 173.24 173.38 2jj1 s LEU 321 N -2.44 1.01 -0.14 2.42 2.96 -0.91 -1.25 118.68 120.33 2jj1 s LEU 321 Ca 0.01 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 2jj1 s LEU 321 Cb -0.01 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 2jj1 s LEU 321 CO -0.09 -0.14 0.06 -0.89 -1.32 0.00 0.00 176.35 173.97 2jj1 s THR 322 N 1.75 4.80 -0.17 3.68 2.01 -0.32 -1.61 115.64 125.77 2jj1 s THR 322 Ca 0.04 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 2jj1 s THR 322 Cb -0.13 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 2jj1 s THR 322 CO -0.07 0.54 -0.11 0.00 -0.69 0.00 0.00 174.62 174.30 2jj1 s ALA 323 N -0.33 2.66 -0.85 7.40 0.00 -1.03 0.69 121.76 130.29 2jj1 s ALA 323 Ca 0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2jj1 s ALA 323 Cb -0.12 -1.40 0.21 0.00 0.00 0.00 0.00 23.12 21.81 2jj1 s ALA 323 CO 0.02 -0.11 0.72 -0.51 0.00 0.00 0.00 175.76 175.88 2jj1 s LEU 324 N 0.93 5.54 0.41 0.00 1.43 0.10 -1.54 118.68 125.56 2jj1 s LEU 324 Ca -0.02 -3.53 -0.26 0.00 -1.03 0.00 0.00 54.13 49.29 2jj1 s LEU 324 Cb -0.15 -1.91 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 2jj1 s LEU 324 CO -0.01 -0.23 1.28 -2.16 0.23 0.00 0.00 176.35 175.47 2jj1 s PRO 325 N -1.07 3.96 -0.11 1.29 0.04 -1.25 -2.59 135.00 135.28 2jj1 s PRO 325 Ca 0.25 2.10 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 2jj1 s PRO 325 Cb -0.10 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 2jj1 s PRO 325 CO -0.11 -0.48 -0.07 0.08 0.04 0.00 0.00 177.00 176.46 2jj1 s VAL 326 N -1.29 3.62 -0.08 -0.36 1.01 0.20 -1.26 120.40 122.24 2jj1 s VAL 326 Ca 0.57 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2jj1 s VAL 326 Cb -0.37 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.51 2jj1 s VAL 326 CO 0.47 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 175.38 2jj1 s ILE 327 N -0.21 1.13 -0.20 2.22 -1.09 -0.49 -0.54 121.20 122.03 2jj1 s ILE 327 Ca 0.03 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 57.81 2jj1 s ILE 327 Cb -0.13 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 2jj1 s ILE 327 CO 0.03 0.36 0.57 -0.70 -1.23 0.00 0.00 174.94 173.98 2jj1 s GLU 328 N 0.98 4.21 0.66 2.79 2.12 -1.26 -3.05 118.70 125.14 2jj1 s GLU 328 Ca -0.09 0.52 -0.07 0.00 0.36 0.00 0.00 54.97 55.69 2jj1 s GLU 328 Cb -0.15 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.71 2jj1 s GLU 328 CO -0.00 -0.19 0.98 0.95 -0.54 0.00 0.00 175.26 176.47 2jj1 s THR 329 N 1.75 2.97 -0.21 -1.70 -4.23 -0.36 -4.91 115.64 108.95 2jj1 s THR 329 Ca 0.27 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2jj1 s THR 329 Cb -0.16 -3.24 0.03 0.00 1.34 0.00 0.00 72.50 70.47 2jj1 s THR 329 CO 0.10 -0.27 -0.15 -1.10 -0.54 0.00 0.00 174.62 172.67 2jj1 s GLN 330 N -5.17 2.80 -1.45 3.99 -1.52 -1.26 -4.18 119.66 112.87 2jj1 s GLN 330 Ca 0.57 -0.97 -0.02 0.00 -1.95 0.00 0.00 55.36 53.00 2jj1 s GLN 330 Cb -0.11 -2.74 0.01 0.00 -0.22 0.00 0.00 33.01 29.96 2jj1 s GLN 330 CO 0.46 -0.33 0.40 0.00 -0.25 0.00 0.00 175.29 175.58 2jj1 n ALA 331 N 4.59 -1.94 -4.09 6.09 0.00 -1.26 -2.55 120.51 121.35 2jj1 n ALA 331 Ca -0.18 -0.26 -0.28 0.00 0.00 0.00 0.00 53.44 52.71 2jj1 n ALA 331 Cb 0.48 -1.58 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 2jj1 n ALA 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jj1 n GLY 332 N -2.00 -0.23 3.38 0.00 0.00 -1.26 -4.91 105.19 100.17 2jj1 n GLY 332 Ca -0.28 0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 2jj1 n GLY 332 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jj1 s ASP 333 N -4.21 6.96 0.00 1.61 2.15 -1.06 -4.87 116.67 117.26 2jj1 s ASP 333 Ca 0.12 -2.90 0.15 0.00 0.43 0.00 0.00 52.55 50.35 2jj1 s ASP 333 Cb -0.06 -2.28 0.74 0.00 -0.30 0.00 0.00 42.92 41.02 2jj1 s ASP 333 CO 0.92 -0.61 1.44 1.33 -0.17 0.00 0.00 175.17 178.09 2jj1 n VAL 334 N 3.99 0.67 -0.71 1.11 0.24 -1.26 -2.80 118.33 119.57 2jj1 n VAL 334 Ca 0.23 0.17 0.08 0.00 -2.04 0.00 0.00 64.34 62.78 2jj1 n VAL 334 Cb 0.44 -0.91 0.32 0.00 -1.47 0.00 0.00 33.84 32.22 2jj1 n VAL 334 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jj1 n SER 335 N -1.34 4.55 -4.84 -1.34 7.64 -1.26 -3.78 113.62 113.25 2jj1 n SER 335 Ca 0.06 -2.62 -0.32 0.00 1.01 0.00 0.00 58.87 57.01 2jj1 n SER 335 Cb 0.13 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 2jj1 n SER 335 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jj1 s ALA 336 N -2.14 3.13 0.06 -0.43 0.00 -1.12 -4.80 121.76 116.45 2jj1 s ALA 336 Ca 0.47 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 2jj1 s ALA 336 Cb 0.32 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2jj1 s ALA 336 CO 0.18 -0.08 1.24 -0.92 0.00 0.00 0.00 175.76 176.18 2jj1 h TYR 337 N 1.27 -0.79 -0.13 0.00 -0.00 -1.92 0.59 116.97 115.99 2jj1 h TYR 337 Ca -0.47 0.05 -0.01 0.00 -0.00 0.00 0.00 58.73 58.29 2jj1 h TYR 337 Cb 1.18 0.38 -0.01 0.00 -0.00 0.00 0.00 36.73 38.29 2jj1 h TYR 337 CO 0.63 -0.19 0.05 0.82 -0.00 0.00 0.00 178.16 179.47 2jj1 h ILE 338 N -0.09 1.16 -0.79 1.81 1.08 -1.96 -0.96 117.51 117.76 2jj1 h ILE 338 Ca 0.05 -0.50 0.13 0.00 -0.39 0.00 0.00 64.86 64.15 2jj1 h ILE 338 Cb 0.22 1.25 -0.09 0.00 -3.07 0.00 0.00 36.82 35.13 2jj1 h ILE 338 CO -0.33 0.15 0.38 -0.65 -0.69 0.00 0.00 178.15 177.01 2jj1 h PRO 339 N 0.05 0.56 -0.74 2.37 0.11 -1.83 -0.46 132.00 132.06 2jj1 h PRO 339 Ca 0.04 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.24 2jj1 h PRO 339 Cb 0.19 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 31.09 2jj1 h PRO 339 CO -0.00 0.37 0.34 1.15 -0.21 0.00 0.00 178.00 179.64 2jj1 h THR 340 N 0.58 0.76 0.22 -1.15 2.02 0.93 -0.43 112.91 115.83 2jj1 h THR 340 Ca 0.42 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 2jj1 h THR 340 Cb 0.56 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2jj1 h THR 340 CO -0.35 0.10 -0.10 0.78 0.37 0.00 0.00 175.52 176.32 2jj1 h ASN 341 N 0.53 -0.25 0.09 4.18 2.35 0.20 -1.95 115.58 120.73 2jj1 h ASN 341 Ca 0.38 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.88 2jj1 h ASN 341 Cb 0.50 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2jj1 h ASN 341 CO -0.33 -0.06 -0.56 0.58 -1.65 0.00 0.00 177.43 175.40 2jj1 h VAL 342 N -0.42 1.33 -0.29 2.81 2.07 -0.86 -1.09 116.25 119.80 2jj1 h VAL 342 Ca -0.03 -1.83 0.04 0.00 0.82 0.00 0.00 66.70 65.70 2jj1 h VAL 342 Cb 0.32 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2jj1 h VAL 342 CO 0.05 0.56 0.07 0.40 0.02 0.00 0.00 177.57 178.67 2jj1 h ILE 343 N 0.38 0.88 -0.92 4.57 2.04 -1.14 0.33 117.51 123.65 2jj1 h ILE 343 Ca 0.00 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2jj1 h ILE 343 Cb 1.10 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2jj1 h ILE 343 CO 0.10 0.03 0.56 -1.28 0.00 0.00 0.00 178.15 177.56 2jj1 h SER 344 N 0.18 1.11 -0.07 1.72 0.87 -1.10 -3.18 113.55 113.08 2jj1 h SER 344 Ca 0.13 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2jj1 h SER 344 Cb 0.13 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2jj1 h SER 344 CO -0.16 0.85 -0.21 0.40 -0.53 0.00 0.00 176.83 177.18 2jj1 h ILE 345 N 1.27 1.42 -3.61 2.23 2.04 -0.57 -3.47 117.51 116.83 2jj1 h ILE 345 Ca 0.33 -1.57 -0.43 0.00 1.00 0.00 0.00 64.86 64.19 2jj1 h ILE 345 Cb -0.06 2.26 0.18 0.00 -0.74 0.00 0.00 36.82 38.46 2jj1 h ILE 345 CO -0.06 0.45 0.12 0.42 0.00 0.00 0.00 178.15 179.07 2jj1 s THR 346 N -3.81 1.86 -2.67 -0.27 -4.23 0.05 -4.98 115.64 101.60 2jj1 s THR 346 Ca -0.15 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.63 2jj1 s THR 346 Cb 0.03 -2.39 0.41 0.00 1.34 0.00 0.00 72.50 71.89 2jj1 s THR 346 CO 0.75 0.00 1.56 0.47 -0.54 0.00 0.00 174.62 176.86 2jj1 n ASP 347 N -4.57 2.05 0.00 3.99 8.00 0.58 -4.99 116.55 121.62 2jj1 n ASP 347 Ca 0.07 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.89 2jj1 n ASP 347 Cb 0.57 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2jj1 n ASP 347 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jj1 n GLY 348 N 1.24 1.15 2.93 0.44 0.00 -1.23 -0.86 105.19 108.86 2jj1 n GLY 348 Ca 0.17 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 2jj1 n GLY 348 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jj1 s GLN 349 N -2.00 0.38 -0.47 1.61 1.11 -0.59 -0.97 119.66 118.73 2jj1 s GLN 349 Ca 0.00 -0.14 -0.14 0.00 0.01 0.00 0.00 55.36 55.09 2jj1 s GLN 349 Cb 0.00 -0.38 0.08 0.00 -1.01 0.00 0.00 33.01 31.70 2jj1 s GLN 349 CO 0.00 0.07 0.37 0.42 0.01 0.00 0.00 175.29 176.17 2jj1 s ILE 350 N 0.02 4.99 -0.08 1.08 1.01 0.32 -0.83 121.20 127.70 2jj1 s ILE 350 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.30 2jj1 s ILE 350 Cb -0.03 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2jj1 s ILE 350 CO -0.00 -0.59 0.45 -0.36 0.00 0.00 0.00 174.94 174.44 2jj1 s PHE 351 N 1.58 3.59 0.07 3.97 0.40 -1.25 -0.53 117.98 125.80 2jj1 s PHE 351 Ca 0.04 0.92 0.08 0.00 -0.60 0.00 0.00 56.93 57.37 2jj1 s PHE 351 Cb -0.24 -2.47 -0.03 0.00 0.51 0.00 0.00 43.02 40.78 2jj1 s PHE 351 CO 0.05 0.33 -0.18 -0.51 0.70 0.00 0.00 175.22 175.60 2jj1 s LEU 352 N 0.05 2.62 0.08 -0.37 1.43 0.69 -1.03 118.68 122.14 2jj1 s LEU 352 Ca 0.25 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 2jj1 s LEU 352 Cb -0.16 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2jj1 s LEU 352 CO 0.11 0.23 -0.19 -1.61 0.23 0.00 0.00 176.35 175.13 2jj1 s GLU 353 N -1.65 1.09 0.21 1.70 2.02 -0.28 -4.25 118.70 117.55 2jj1 s GLU 353 Ca 0.15 -1.02 0.05 0.00 0.02 0.00 0.00 54.97 54.17 2jj1 s GLU 353 Cb -0.10 -1.25 0.16 0.00 0.10 0.00 0.00 34.13 33.04 2jj1 s GLU 353 CO 0.07 0.30 1.49 1.15 0.02 0.00 0.00 175.26 178.28 2jj1 h THR 354 N 4.24 1.45 -0.25 3.63 2.02 -1.92 -2.53 112.91 119.54 2jj1 h THR 354 Ca -0.43 -2.30 -0.17 0.00 0.77 0.00 0.00 66.41 64.27 2jj1 h THR 354 Cb 1.18 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 2jj1 h THR 354 CO 0.41 0.67 -0.53 1.05 0.37 0.00 0.00 175.52 177.50 2jj1 h GLU 355 N 0.11 0.80 -0.48 6.66 4.11 -1.96 -2.38 114.58 121.45 2jj1 h GLU 355 Ca -0.02 -0.53 0.01 0.00 0.07 0.00 0.00 59.36 58.90 2jj1 h GLU 355 Cb 1.28 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 2jj1 h GLU 355 CO 0.11 1.15 0.30 -0.07 0.07 0.00 0.00 179.01 180.57 2jj1 h LEU 356 N 0.56 0.50 -0.39 3.06 3.38 -1.89 -0.88 115.31 119.66 2jj1 h LEU 356 Ca 0.01 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2jj1 h LEU 356 Cb 1.14 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 2jj1 h LEU 356 CO 0.12 0.36 -0.42 0.15 0.09 0.00 0.00 178.44 178.74 2jj1 h PHE 357 N 0.61 -1.22 0.00 1.13 3.57 -1.26 -1.49 116.94 118.27 2jj1 h PHE 357 Ca 0.18 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2jj1 h PHE 357 Cb -0.03 0.59 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2jj1 h PHE 357 CO -0.05 -0.44 0.00 1.88 -2.23 0.00 0.00 178.31 177.47 2jj1 h TYR 358 N -0.33 0.00 0.00 0.41 0.99 -1.25 -2.16 116.97 114.62 2jj1 h TYR 358 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 2jj1 h TYR 358 Cb 0.58 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.31 2jj1 h TYR 358 CO -0.61 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.18 2jj1 n LYS 359 N -2.56 0.25 -0.63 4.88 5.02 -0.35 -4.82 118.16 119.94 2jj1 n LYS 359 Ca 0.04 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2jj1 n LYS 359 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2jj1 n LYS 359 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jj1 n GLY 360 N -0.42 0.96 3.56 0.72 0.00 -0.81 -4.99 105.19 104.20 2jj1 n GLY 360 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2jj1 n GLY 360 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj1 s ILE 361 N -3.32 3.84 -0.07 -0.61 -1.09 -0.63 -4.97 121.20 114.35 2jj1 s ILE 361 Ca 0.00 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 2jj1 s ILE 361 Cb 0.00 -4.97 0.01 0.00 -1.58 0.00 0.00 42.46 35.92 2jj1 s ILE 361 CO 0.00 -1.87 -0.14 -0.13 -1.23 0.00 0.00 174.94 171.57 2jj1 s ARG 362 N 5.30 1.89 0.51 2.79 0.52 -1.26 -3.03 118.95 125.67 2jj1 s ARG 362 Ca 0.44 -0.48 -0.21 0.00 -0.52 0.00 0.00 55.73 54.96 2jj1 s ARG 362 Cb -0.03 -1.53 -0.06 0.00 0.52 0.00 0.00 34.95 33.85 2jj1 s ARG 362 CO -0.02 0.05 1.15 -1.25 0.02 0.00 0.00 175.30 175.25 2jj1 s PRO 363 N 0.62 3.48 0.00 3.54 0.04 -1.26 -0.97 135.00 140.46 2jj1 s PRO 363 Ca -0.15 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2jj1 s PRO 363 Cb -0.16 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2jj1 s PRO 363 CO 0.04 -0.76 1.46 0.00 0.04 0.00 0.00 177.00 177.79 2jj1 n ALA 364 N -0.99 3.26 -2.10 8.56 0.00 -1.17 -4.90 120.51 123.18 2jj1 n ALA 364 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 2jj1 n ALA 364 Cb 0.50 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2jj1 n ALA 364 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jj1 s ILE 365 N 0.22 3.65 -0.49 0.00 1.01 -1.26 -1.12 121.20 123.20 2jj1 s ILE 365 Ca 0.00 0.87 -0.28 0.00 0.00 0.00 0.00 60.65 61.24 2jj1 s ILE 365 Cb 0.00 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.92 2jj1 s ILE 365 CO 0.00 -0.06 1.34 0.21 0.00 0.00 0.00 174.94 176.43 2jj1 s ASN 366 N 2.80 6.33 0.33 3.58 3.84 -0.20 -4.89 114.94 126.73 2jj1 s ASN 366 Ca 0.69 0.49 0.17 0.00 0.21 0.00 0.00 52.86 54.42 2jj1 s ASN 366 Cb -0.32 -2.55 0.45 0.00 -0.55 0.00 0.00 41.25 38.28 2jj1 s ASN 366 CO 0.27 -1.50 1.62 0.58 -2.79 0.00 0.00 177.10 175.28 2jj1 h VAL 367 N 6.36 0.94 0.02 -5.21 2.07 -1.92 -0.90 116.25 117.61 2jj1 h VAL 367 Ca -0.26 -1.85 -0.22 0.00 0.82 0.00 0.00 66.70 65.19 2jj1 h VAL 367 Cb 1.09 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2jj1 h VAL 367 CO 1.14 0.45 -0.95 1.23 0.02 0.00 0.00 177.57 179.45 2jj1 h GLY 368 N 2.51 0.28 0.65 2.17 0.00 -1.99 -3.36 103.07 103.33 2jj1 h GLY 368 Ca -0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 47.33 46.45 2jj1 h GLY 368 CO 0.06 0.47 -1.96 1.04 0.00 0.00 0.00 176.54 176.15 2jj1 n LEU 369 N -3.65 1.94 -4.75 3.11 4.77 -1.13 -4.93 117.00 112.37 2jj1 n LEU 369 Ca -0.05 0.24 -0.39 0.00 -0.03 0.00 0.00 56.01 55.78 2jj1 n LEU 369 Cb 0.85 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2jj1 n LEU 369 CO 0.49 0.69 1.00 -0.44 -1.33 0.00 0.00 177.39 177.81 2jj1 s SER 370 N -6.60 5.34 0.16 -1.43 0.01 -0.36 -4.92 113.70 105.89 2jj1 s SER 370 Ca -0.17 2.80 -0.09 0.00 1.31 0.00 0.00 55.95 59.80 2jj1 s SER 370 Cb 0.07 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2jj1 s SER 370 CO 0.78 -1.53 0.28 0.54 0.41 0.00 0.00 173.24 173.72 2jj1 s VAL 371 N -1.28 0.07 -0.22 3.43 0.11 -0.01 -4.95 120.40 117.55 2jj1 s VAL 371 Ca 0.70 -1.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.39 2jj1 s VAL 371 Cb -0.41 -1.76 0.10 0.00 -1.53 0.00 0.00 36.38 32.78 2jj1 s VAL 371 CO 0.49 -0.33 0.25 -0.55 -3.33 0.00 0.00 175.10 171.64 2jj1 s SER 372 N -2.95 1.20 0.42 3.54 0.15 -1.26 -1.54 113.70 113.26 2jj1 s SER 372 Ca 0.15 -0.18 0.29 0.00 0.70 0.00 0.00 55.95 56.91 2jj1 s SER 372 Cb 0.03 0.52 1.08 0.00 -1.71 0.00 0.00 66.02 65.94 2jj1 s SER 372 CO -0.02 -0.33 1.84 0.03 1.20 0.00 0.00 173.24 175.97 2jj1 h ARG 373 N 8.29 0.00 -0.35 5.44 3.08 -1.37 -2.52 114.38 126.94 2jj1 h ARG 373 Ca -0.17 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 2jj1 h ARG 373 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2jj1 h ARG 373 CO 0.29 0.00 0.02 0.28 -1.07 0.00 0.00 179.97 179.48 2jj1 h VAL 374 N 0.00 1.25 0.00 2.04 2.07 -1.90 -3.48 116.25 116.24 2jj1 h VAL 374 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2jj1 h VAL 374 Cb 0.55 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2jj1 h VAL 374 CO 0.00 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.51 2jj1 n GLY 375 N -0.38 1.96 0.54 2.17 0.00 -0.95 -2.79 105.19 105.74 2jj1 n GLY 375 Ca -0.02 -0.55 0.36 0.00 0.00 0.00 0.00 46.02 45.81 2jj1 n GLY 375 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jj1 h SER 376 N 9.51 0.00 -0.04 1.61 0.02 -1.91 -1.45 113.55 121.29 2jj1 h SER 376 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2jj1 h SER 376 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jj1 h SER 376 CO 0.00 0.00 0.33 0.00 -1.14 0.00 0.00 176.83 176.02 2jj1 h ALA 377 N 1.37 1.40 -0.08 3.77 0.00 -1.87 -1.38 119.26 122.47 2jj1 h ALA 377 Ca 0.58 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 2jj1 h ALA 377 Cb 2.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.13 2jj1 h ALA 377 CO -0.01 -0.35 -0.16 0.00 0.00 0.00 0.00 179.25 178.74 2jj1 n ALA 378 N -1.94 3.02 -2.59 0.00 0.00 -0.55 -4.41 120.51 114.04 2jj1 n ALA 378 Ca -0.01 -2.85 -0.31 0.00 0.00 0.00 0.00 53.44 50.27 2jj1 n ALA 378 Cb 0.39 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 2jj1 n ALA 378 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jj1 s GLN 379 N -3.02 2.36 0.60 0.00 -0.21 -0.52 -4.03 119.66 114.84 2jj1 s GLN 379 Ca 0.37 -0.87 -0.16 0.00 0.02 0.00 0.00 55.36 54.72 2jj1 s GLN 379 Cb 0.33 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 2jj1 s GLN 379 CO 0.00 0.55 1.07 0.95 -2.12 0.00 0.00 175.29 175.75 2jj1 s THR 380 N -1.11 3.69 0.46 -0.19 -4.23 -1.26 -4.85 115.64 108.15 2jj1 s THR 380 Ca 0.20 0.81 0.15 0.00 -1.18 0.00 0.00 61.69 61.66 2jj1 s THR 380 Cb -0.11 -3.33 0.32 0.00 1.34 0.00 0.00 72.50 70.72 2jj1 s THR 380 CO 0.11 -0.47 2.03 0.03 -0.54 0.00 0.00 174.62 175.78 2jj1 h ARG 381 N 0.39 0.27 0.44 3.99 3.08 -1.97 -0.74 114.38 119.84 2jj1 h ARG 381 Ca -0.47 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 2jj1 h ARG 381 Cb 1.23 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2jj1 h ARG 381 CO 0.57 0.18 -0.41 0.00 -1.07 0.00 0.00 179.97 179.23 2jj1 h ALA 382 N 1.77 -1.10 -0.19 0.04 0.00 0.08 -2.72 119.26 117.14 2jj1 h ALA 382 Ca 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jj1 h ALA 382 Cb 0.41 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jj1 h ALA 382 CO -0.04 -1.11 0.05 1.98 0.00 0.00 0.00 179.25 180.13 2jj1 h MET 383 N -0.84 0.31 -1.06 0.00 1.85 -1.69 -2.95 114.93 110.54 2jj1 h MET 383 Ca -0.06 -0.07 0.34 0.00 -0.61 0.00 0.00 59.70 59.30 2jj1 h MET 383 Cb 0.72 -0.04 -0.14 0.00 0.43 0.00 0.00 31.60 32.57 2jj1 h MET 383 CO -0.04 0.43 0.62 -0.22 -0.40 0.00 0.00 176.91 177.31 2jj1 h LYS 384 N 0.13 0.26 0.22 0.39 3.64 -1.17 0.21 116.57 120.25 2jj1 h LYS 384 Ca 0.06 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2jj1 h LYS 384 Cb 0.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jj1 h LYS 384 CO 0.00 0.17 -0.11 0.37 -2.27 0.00 0.00 179.45 177.61 2jj1 h GLN 385 N 0.27 -0.29 -0.12 1.90 4.15 -1.30 -2.76 115.11 116.96 2jj1 h GLN 385 Ca 0.75 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 60.12 2jj1 h GLN 385 Cb 1.85 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.60 2jj1 h GLN 385 CO -0.56 -0.19 -0.25 -0.39 -1.93 0.00 0.00 178.83 175.51 2jj1 h VAL 386 N -0.41 1.23 -0.06 2.39 -1.51 -1.49 -2.99 116.25 113.40 2jj1 h VAL 386 Ca -0.03 -1.07 0.03 0.00 -1.23 0.00 0.00 66.70 64.41 2jj1 h VAL 386 Cb 0.23 1.42 -0.04 0.00 -2.13 0.00 0.00 31.29 30.76 2jj1 h VAL 386 CO 0.05 0.32 -0.18 0.00 -1.23 0.00 0.00 177.57 176.53 2jj1 h ALA 387 N 1.57 -0.18 -1.00 5.19 0.00 -0.70 -1.98 119.26 122.15 2jj1 h ALA 387 Ca 0.03 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2jj1 h ALA 387 Cb 0.54 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2jj1 h ALA 387 CO 0.04 -0.66 0.64 0.78 0.00 0.00 0.00 179.25 180.04 2jj1 h GLY 388 N -0.27 1.61 0.75 0.00 0.00 -1.33 0.14 103.07 103.97 2jj1 h GLY 388 Ca 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2jj1 h GLY 388 CO -0.21 0.20 -0.34 -0.84 0.00 0.00 0.00 176.54 175.35 2jj1 h THR 389 N 1.03 0.09 -0.76 4.70 2.02 -1.55 -2.11 112.91 116.33 2jj1 h THR 389 Ca 0.48 -0.29 0.15 0.00 0.77 0.00 0.00 66.41 67.53 2jj1 h THR 389 Cb 0.43 0.12 -0.14 0.00 -1.74 0.00 0.00 68.15 66.81 2jj1 h THR 389 CO -0.24 0.01 -0.18 -0.03 0.37 0.00 0.00 175.52 175.44 2jj1 h MET 390 N -1.20 0.00 -0.39 6.66 -1.53 -0.87 0.32 114.93 117.93 2jj1 h MET 390 Ca -0.10 -0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.18 2jj1 h MET 390 Cb 0.74 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.76 2jj1 h MET 390 CO 0.16 0.00 0.22 -0.22 0.14 0.00 0.00 176.91 177.21 2jj1 h LYS 391 N 0.00 0.43 -0.42 0.39 3.64 -0.75 0.21 116.57 120.07 2jj1 h LYS 391 Ca 0.37 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.66 2jj1 h LYS 391 Cb 0.56 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2jj1 h LYS 391 CO -0.78 0.28 0.04 1.25 -2.27 0.00 0.00 179.45 177.98 2jj1 h LEU 392 N 0.44 0.68 -0.34 5.20 5.85 -0.61 -2.91 115.31 123.62 2jj1 h LEU 392 Ca 0.16 -0.28 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 2jj1 h LEU 392 Cb 0.02 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2jj1 h LEU 392 CO -0.08 0.79 -0.65 -0.33 -0.34 0.00 0.00 178.44 177.83 2jj1 h GLU 393 N 0.55 0.68 0.00 1.25 5.08 0.13 -2.46 114.58 119.81 2jj1 h GLU 393 Ca 0.12 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2jj1 h GLU 393 Cb 0.41 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jj1 h GLU 393 CO 0.01 1.10 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.91 2jj1 h LEU 394 N 0.49 0.00 0.24 1.33 3.38 -0.68 -2.29 115.31 117.79 2jj1 h LEU 394 Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 2jj1 h LEU 394 Cb 1.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.03 2jj1 h LEU 394 CO 0.13 0.14 -1.46 0.00 0.09 0.00 0.00 178.44 177.35 2jj1 h ALA 395 N 1.86 -0.15 -0.23 1.53 0.00 -1.25 0.57 119.26 121.59 2jj1 h ALA 395 Ca -0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 2jj1 h ALA 395 Cb 0.43 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jj1 h ALA 395 CO 0.02 0.69 -0.07 1.96 0.00 0.00 0.00 179.25 181.85 2jj1 h GLN 396 N 0.17 0.37 0.27 0.00 4.20 -1.46 -1.00 115.11 117.65 2jj1 h GLN 396 Ca -0.25 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 2jj1 h GLN 396 Cb 2.14 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.87 2jj1 h GLN 396 CO 0.27 0.45 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.83 2jj1 h TYR 397 N 0.35 -0.34 -0.33 2.96 3.20 -1.28 -2.96 116.97 118.57 2jj1 h TYR 397 Ca 0.07 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.00 2jj1 h TYR 397 Cb 0.34 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2jj1 h TYR 397 CO 0.01 -0.10 0.23 0.00 -1.64 0.00 0.00 178.16 176.65 2jj1 h ARG 398 N -0.53 0.16 -0.04 1.82 3.08 -0.57 1.14 114.38 119.45 2jj1 h ARG 398 Ca -0.04 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2jj1 h ARG 398 Cb 0.39 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2jj1 h ARG 398 CO 0.06 0.11 0.03 0.93 -1.07 0.00 0.00 179.97 180.03 2jj1 h GLU 399 N 0.17 0.00 0.00 0.04 5.08 -1.05 -3.33 114.58 115.48 2jj1 h GLU 399 Ca 0.15 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 2jj1 h GLU 399 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2jj1 h GLU 399 CO -0.02 0.00 -1.51 0.28 -1.00 0.00 0.00 179.01 176.75 2jj1 n VAL 400 N -4.28 0.51 0.00 3.13 0.31 0.18 -4.79 118.33 113.39 2jj1 n VAL 400 Ca -0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2jj1 n VAL 400 Cb 0.13 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2jj1 n VAL 400 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jj1 n ALA 401 N -2.32 0.32 0.02 3.52 0.00 0.34 0.43 120.51 122.83 2jj1 n ALA 401 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 2jj1 n ALA 401 Cb 0.74 -0.27 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 2jj1 n ALA 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jj1 h ALA 402 N 0.54 0.63 -0.08 0.00 0.00 -1.85 -3.28 119.26 115.21 2jj1 h ALA 402 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2jj1 h ALA 402 Cb 0.44 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jj1 h ALA 402 CO 0.00 1.35 0.00 1.19 0.00 0.00 0.00 179.25 181.79 2jj1 n PHE 403 N -3.13 0.22 0.11 0.00 0.99 0.17 -4.32 117.46 111.50 2jj1 n PHE 403 Ca -0.10 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.45 57.22 2jj1 n PHE 403 Cb 0.97 -0.10 -0.03 0.00 -1.00 0.00 0.00 39.48 39.33 2jj1 n PHE 403 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2jj1 h ALA 404 N 2.61 -0.45 -0.01 4.37 0.00 -1.70 -2.69 119.26 121.38 2jj1 h ALA 404 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jj1 h ALA 404 Cb 0.48 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jj1 h ALA 404 CO 0.04 -0.42 -0.05 1.04 0.00 0.00 0.00 179.25 179.86 2jj1 n GLN 405 N -4.19 1.33 -0.50 0.00 6.02 -1.26 -3.45 117.38 115.33 2jj1 n GLN 405 Ca -0.04 -0.65 0.06 0.00 -0.01 0.00 0.00 57.00 56.35 2jj1 n GLN 405 Cb 0.14 -1.49 0.11 0.00 1.02 0.00 0.00 30.24 30.02 2jj1 n GLN 405 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2jj1 n PHE 406 N -0.26 0.00 -3.86 1.08 3.01 -1.26 -4.98 117.46 111.18 2jj1 n PHE 406 Ca 0.18 -0.86 -0.34 0.00 1.01 0.00 0.00 57.45 57.45 2jj1 n PHE 406 Cb 0.30 -0.16 -0.13 0.00 -0.01 0.00 0.00 39.48 39.49 2jj1 n PHE 406 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2jj1 s GLY 407 N -2.46 1.97 -0.19 1.37 0.00 -1.02 -4.88 107.32 102.11 2jj1 s GLY 407 Ca 0.27 -2.54 0.09 0.00 0.00 0.00 0.00 44.72 42.55 2jj1 s GLY 407 CO -0.03 1.00 -0.05 1.44 0.00 0.00 0.00 173.10 175.45 2jj1 n SER 408 N 4.47 1.48 -2.67 1.64 7.64 -1.26 -4.72 113.62 120.20 2jj1 n SER 408 Ca -0.00 -0.05 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 2jj1 n SER 408 Cb 0.42 0.35 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 2jj1 n SER 408 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jj1 n ASP 409 N -2.86 5.51 -4.88 6.43 9.92 -1.26 -5.05 116.55 124.37 2jj1 n ASP 409 Ca -0.33 -3.75 -0.32 0.00 -0.53 0.00 0.00 54.79 49.87 2jj1 n ASP 409 Cb 0.99 -0.65 -0.05 0.00 -0.64 0.00 0.00 41.12 40.77 2jj1 n ASP 409 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2jj1 s LEU 410 N -3.70 4.22 0.61 0.64 1.02 -1.26 -5.08 118.68 115.13 2jj1 s LEU 410 Ca 0.49 0.82 -0.16 0.00 0.02 0.00 0.00 54.13 55.29 2jj1 s LEU 410 Cb 0.39 -3.51 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 2jj1 s LEU 410 CO -0.24 -0.01 1.09 1.51 0.02 0.00 0.00 176.35 178.71 2jj1 s ASP 411 N -2.32 5.50 0.43 2.29 -4.77 -1.26 -4.81 116.67 111.73 2jj1 s ASP 411 Ca 0.44 1.95 0.19 0.00 -3.30 0.00 0.00 52.55 51.83 2jj1 s ASP 411 Cb -0.12 -2.55 1.11 0.00 -1.09 0.00 0.00 42.92 40.28 2jj1 s ASP 411 CO 0.22 -1.36 1.86 0.00 0.70 0.00 0.00 175.17 176.59 2jj1 h ALA 412 N 0.41 2.25 0.08 2.11 0.00 -1.97 -0.56 119.26 121.57 2jj1 h ALA 412 Ca -0.47 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jj1 h ALA 412 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jj1 h ALA 412 CO 0.56 -0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.24 2jj1 h ALA 413 N 1.61 -0.10 0.00 0.00 0.00 -1.99 -1.81 119.26 116.96 2jj1 h ALA 413 Ca 0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2jj1 h ALA 413 Cb 1.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jj1 h ALA 413 CO -0.16 -0.41 -0.14 1.79 0.00 0.00 0.00 179.25 180.32 2jj1 h THR 414 N -0.39 0.30 0.00 0.00 1.35 -1.78 -2.24 112.91 110.15 2jj1 h THR 414 Ca -0.01 -1.06 -0.10 0.00 -0.55 0.00 0.00 66.41 64.68 2jj1 h THR 414 Cb 0.34 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2jj1 h THR 414 CO 0.02 0.14 -0.50 1.56 -0.25 0.00 0.00 175.52 176.49 2jj1 h GLN 415 N 0.00 0.00 0.04 4.72 4.20 -1.03 -2.78 115.11 120.25 2jj1 h GLN 415 Ca -0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 2jj1 h GLN 415 Cb 0.83 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 2jj1 h GLN 415 CO 0.02 0.50 -1.29 0.37 -0.67 0.00 0.00 178.83 177.76 2jj1 h GLN 416 N 0.00 0.08 -0.77 1.46 5.75 -0.94 -2.67 115.11 118.03 2jj1 h GLN 416 Ca -0.00 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 2jj1 h GLN 416 Cb 0.92 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 2jj1 h GLN 416 CO 0.06 0.94 0.26 -0.07 -2.65 0.00 0.00 178.83 177.38 2jj1 h LEU 417 N 0.02 1.10 0.23 -2.39 3.38 -1.40 -0.90 115.31 115.34 2jj1 h LEU 417 Ca -0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2jj1 h LEU 417 Cb 1.90 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2jj1 h LEU 417 CO 0.13 1.00 -0.11 -0.07 0.09 0.00 0.00 178.44 179.48 2jj1 h LEU 418 N 1.13 -0.26 -0.14 1.67 3.38 -1.56 0.05 115.31 119.58 2jj1 h LEU 418 Ca 0.25 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2jj1 h LEU 418 Cb 0.28 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2jj1 h LEU 418 CO -0.01 0.06 -0.23 0.28 0.09 0.00 0.00 178.44 178.63 2jj1 h SER 419 N -0.60 -0.73 -0.20 -0.43 0.02 -1.40 0.77 113.55 110.99 2jj1 h SER 419 Ca -0.03 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2jj1 h SER 419 Cb 0.43 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 2jj1 h SER 419 CO 0.05 -0.28 0.09 -0.09 -1.14 0.00 0.00 176.83 175.46 2jj1 h ARG 420 N -0.29 0.19 -0.33 3.45 9.65 -1.24 -2.09 114.38 123.71 2jj1 h ARG 420 Ca 0.11 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 2jj1 h ARG 420 Cb 0.45 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.92 2jj1 h ARG 420 CO -0.31 0.13 -0.11 0.78 2.80 0.00 0.00 179.97 183.26 2jj1 h GLY 421 N 0.20 0.20 1.86 2.80 0.00 0.43 0.14 103.07 108.70 2jj1 h GLY 421 Ca 0.08 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 2jj1 h GLY 421 CO -0.07 -0.14 -0.18 -0.39 0.00 0.00 0.00 176.54 175.76 2jj1 h VAL 422 N -0.03 1.19 0.18 4.60 -1.51 0.72 -1.68 116.25 119.72 2jj1 h VAL 422 Ca 0.16 -0.85 -0.29 0.00 -1.23 0.00 0.00 66.70 64.50 2jj1 h VAL 422 Cb 0.28 1.31 0.02 0.00 -2.13 0.00 0.00 31.29 30.77 2jj1 h VAL 422 CO -0.36 0.26 -1.34 0.03 -1.23 0.00 0.00 177.57 174.93 2jj1 h ARG 423 N 0.16 0.39 -0.71 5.19 3.08 -0.66 -2.88 114.38 118.95 2jj1 h ARG 423 Ca 0.03 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.41 2jj1 h ARG 423 Cb 0.42 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2jj1 h ARG 423 CO 0.03 1.32 0.39 -0.07 -1.07 0.00 0.00 179.97 180.57 2jj1 h LEU 424 N -0.10 0.87 -0.60 3.04 3.38 -0.71 -1.69 115.31 119.49 2jj1 h LEU 424 Ca -0.25 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.72 2jj1 h LEU 424 Cb 1.93 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.40 2jj1 h LEU 424 CO 0.18 0.69 0.29 0.74 0.09 0.00 0.00 178.44 180.43 2jj1 h THR 425 N 0.98 0.89 -0.16 0.22 2.02 -1.35 -2.05 112.91 113.47 2jj1 h THR 425 Ca 0.25 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 2jj1 h THR 425 Cb 0.01 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2jj1 h THR 425 CO -0.04 0.10 -0.23 -0.33 0.37 0.00 0.00 175.52 175.39 2jj1 h GLU 426 N 0.53 0.27 0.00 6.66 4.39 -1.11 -2.34 114.58 122.98 2jj1 h GLU 426 Ca 0.28 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2jj1 h GLU 426 Cb 0.25 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2jj1 h GLU 426 CO -0.22 0.49 0.00 -0.07 -1.16 0.00 0.00 179.01 178.05 2jj1 h LEU 427 N 0.25 0.00 0.00 1.33 3.38 -0.65 -2.79 115.31 116.83 2jj1 h LEU 427 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2jj1 h LEU 427 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2jj1 h LEU 427 CO 0.04 0.00 -0.44 -0.07 0.09 0.00 0.00 178.44 178.06 2jj1 h LEU 428 N 0.00 0.00-10.06 1.67 3.38 -0.93 -3.46 115.31 105.91 2jj1 h LEU 428 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2jj1 h LEU 428 Cb 0.54 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.44 2jj1 h LEU 428 CO 0.00 0.18 0.60 -0.54 0.09 0.00 0.00 178.44 178.77 2jj1 s LYS 429 N -3.15 3.05 -0.21 1.13 1.02 -1.05 -4.47 119.74 116.06 2jj1 s LYS 429 Ca 0.04 2.22 -0.19 0.00 0.02 0.00 0.00 55.97 58.06 2jj1 s LYS 429 Cb 0.07 -2.20 0.05 0.00 -0.52 0.00 0.00 37.83 35.23 2jj1 s LYS 429 CO 0.72 -1.26 0.56 -1.14 -0.92 0.00 0.00 175.35 173.31 2jj1 s GLN 430 N -2.97 0.65 0.64 1.68 0.74 -0.14 -4.96 119.66 115.30 2jj1 s GLN 430 Ca 0.73 0.77 -0.16 0.00 0.05 0.00 0.00 55.36 56.75 2jj1 s GLN 430 Cb -0.40 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.01 2jj1 s GLN 430 CO 0.47 -0.08 1.11 0.20 -0.55 0.00 0.00 175.29 176.44 2jj1 s GLY 431 N 0.28 2.23 0.59 2.59 0.00 -1.26 -4.19 107.32 107.56 2jj1 s GLY 431 Ca -0.00 0.59 -0.10 0.00 0.00 0.00 0.00 44.72 45.21 2jj1 s GLY 431 CO 0.01 0.94 0.97 1.62 0.00 0.00 0.00 173.10 176.64 2jj1 s GLN 432 N -3.97 3.59 -0.86 2.90 0.74 -1.26 -4.06 119.66 116.73 2jj1 s GLN 432 Ca 0.68 0.62 0.00 0.00 0.05 0.00 0.00 55.36 56.71 2jj1 s GLN 432 Cb -0.21 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.75 2jj1 s GLN 432 CO 0.39 -0.48 0.00 0.66 -0.55 0.00 0.00 175.29 175.31 2jj1 n TYR 433 N -2.62 0.00 -3.40 1.67 0.53 -1.26 -4.91 117.16 107.17 2jj1 n TYR 433 Ca 0.05 0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.66 2jj1 n TYR 433 Cb 0.54 -2.19 -0.10 0.00 -1.03 0.00 0.00 39.34 36.57 2jj1 n TYR 433 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 2jj1 n SER 434 N -0.70 -0.09 -4.81 7.72 3.41 -1.26 -5.10 113.62 112.79 2jj1 n SER 434 Ca -0.08 -2.49 -0.33 0.00 -0.26 0.00 0.00 58.87 55.71 2jj1 n SER 434 Cb 0.46 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2jj1 n SER 434 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2jj1 s PRO 435 N -0.27 3.47 0.04 4.33 0.04 -1.26 -4.83 135.00 136.51 2jj1 s PRO 435 Ca 0.33 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.55 2jj1 s PRO 435 Cb 0.06 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2jj1 s PRO 435 CO -0.18 -0.68 -0.05 -1.64 0.04 0.00 0.00 177.00 174.48 2jj1 s MET 436 N -4.08 2.49 0.58 4.56 -1.94 -0.29 -5.01 119.30 115.62 2jj1 s MET 436 Ca 0.62 -0.80 -0.18 0.00 -1.71 0.00 0.00 55.69 53.63 2jj1 s MET 436 Cb -0.15 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.17 2jj1 s MET 436 CO 0.36 0.57 1.12 0.00 -0.01 0.00 0.00 175.02 177.06 2jj1 s ALA 437 N -1.11 2.63 0.14 3.03 0.00 -1.26 -4.35 121.76 120.83 2jj1 s ALA 437 Ca 0.20 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 2jj1 s ALA 437 Cb -0.11 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2jj1 s ALA 437 CO 0.11 -0.91 1.79 0.97 0.00 0.00 0.00 175.76 177.72 2jj1 h ILE 438 N 0.82 1.08 -0.97 0.00 6.09 -1.99 -1.69 117.51 120.86 2jj1 h ILE 438 Ca -0.49 -0.17 0.11 0.00 -1.37 0.00 0.00 64.86 62.95 2jj1 h ILE 438 Cb 1.25 0.66 -0.08 0.00 0.47 0.00 0.00 36.82 39.12 2jj1 h ILE 438 CO 0.56 0.08 0.62 1.05 -3.07 0.00 0.00 178.15 177.39 2jj1 h GLU 439 N 0.40 0.92 -0.63 2.19 9.09 -1.92 -1.79 114.58 122.85 2jj1 h GLU 439 Ca 0.11 -0.06 0.02 0.00 0.05 0.00 0.00 59.36 59.48 2jj1 h GLU 439 Cb -0.03 -0.21 -0.04 0.00 -1.65 0.00 0.00 28.75 26.82 2jj1 h GLU 439 CO -0.02 0.61 0.40 0.93 0.05 0.00 0.00 179.01 180.98 2jj1 h GLU 440 N 0.95 0.78 -0.19 1.06 5.08 -1.71 -1.41 114.58 119.15 2jj1 h GLU 440 Ca 0.47 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.81 2jj1 h GLU 440 Cb 0.48 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2jj1 h GLU 440 CO -0.23 0.52 0.04 1.96 -1.00 0.00 0.00 179.01 180.30 2jj1 h GLN 441 N 0.81 0.12 -0.03 2.33 4.20 -0.68 -2.59 115.11 119.26 2jj1 h GLN 441 Ca 0.24 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.86 2jj1 h GLN 441 Cb -0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jj1 h GLN 441 CO -0.08 0.08 -0.39 -0.39 -0.67 0.00 0.00 178.83 177.38 2jj1 h VAL 442 N 0.12 1.29 -0.36 -0.54 -1.51 -1.14 0.18 116.25 114.28 2jj1 h VAL 442 Ca 0.08 -1.39 -0.11 0.00 -1.23 0.00 0.00 66.70 64.05 2jj1 h VAL 442 Cb 0.08 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 2jj1 h VAL 442 CO -0.11 0.40 -0.24 0.00 -1.23 0.00 0.00 177.57 176.40 2jj1 h ALA 443 N 1.55 0.90 0.18 5.19 0.00 -1.16 0.10 119.26 126.03 2jj1 h ALA 443 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 2jj1 h ALA 443 Cb 0.72 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jj1 h ALA 443 CO 0.05 0.62 -1.44 0.28 0.00 0.00 0.00 179.25 178.77 2jj1 h VAL 444 N 0.63 1.30 -0.77 0.00 2.07 -1.00 -2.97 116.25 115.51 2jj1 h VAL 444 Ca 0.09 -2.82 -0.04 0.00 0.82 0.00 0.00 66.70 64.75 2jj1 h VAL 444 Cb 0.74 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 2jj1 h VAL 444 CO 0.06 0.85 0.33 0.40 0.02 0.00 0.00 177.57 179.22 2jj1 h ILE 445 N 0.11 1.25 -0.77 4.57 2.04 -0.68 -2.64 117.51 121.39 2jj1 h ILE 445 Ca -0.22 -0.77 0.15 0.00 1.00 0.00 0.00 64.86 65.02 2jj1 h ILE 445 Cb 2.07 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 38.37 2jj1 h ILE 445 CO 0.22 0.32 0.32 0.22 0.00 0.00 0.00 178.15 179.23 2jj1 h TYR 446 N 1.11 0.55 -0.61 1.37 3.20 -0.80 0.65 116.97 122.44 2jj1 h TYR 446 Ca 0.26 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.29 2jj1 h TYR 446 Cb 0.18 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.23 2jj1 h TYR 446 CO 0.02 0.07 0.09 0.00 -1.64 0.00 0.00 178.16 176.70 2jj1 h ALA 447 N 1.56 0.69 0.01 1.82 0.00 -1.30 -1.88 119.26 120.16 2jj1 h ALA 447 Ca 0.43 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 2jj1 h ALA 447 Cb 0.65 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jj1 h ALA 447 CO -0.40 -0.34 -0.00 0.78 0.00 0.00 0.00 179.25 179.28 2jj1 h GLY 448 N 0.21 -0.01 2.00 0.00 0.00 -1.29 -1.90 103.07 102.08 2jj1 h GLY 448 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 2jj1 h GLY 448 CO -0.45 -0.00 -0.08 -0.39 0.00 0.00 0.00 176.54 175.62 2jj1 h VAL 449 N -0.89 0.36 -0.01 4.60 -1.51 -0.86 -0.53 116.25 117.40 2jj1 h VAL 449 Ca -0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2jj1 h VAL 449 Cb 0.82 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2jj1 h VAL 449 CO 0.00 0.07 -0.32 0.54 -1.23 0.00 0.00 177.57 176.64 2jj1 n ARG 450 N -3.43 0.92 -0.43 5.19 5.12 -0.71 -4.95 116.66 118.36 2jj1 n ARG 450 Ca -0.02 -0.61 0.00 0.00 -1.93 0.00 0.00 57.85 55.29 2jj1 n ARG 450 Cb 0.22 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 2jj1 n ARG 450 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jj1 n GLY 451 N 1.36 0.76 0.30 -0.13 0.00 -0.21 -4.93 105.19 102.33 2jj1 n GLY 451 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 2jj1 n GLY 451 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jj1 h TYR 452 N 0.00 0.00 -0.02 1.61 -1.99 -1.56 -2.05 116.97 112.96 2jj1 h TYR 452 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2jj1 h TYR 452 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2jj1 h TYR 452 CO 0.00 0.03 -0.14 1.28 -0.00 0.00 0.00 178.16 179.33 2jj1 n LEU 453 N -3.22 2.57 -0.04 3.88 4.77 -1.24 -4.56 117.00 119.16 2jj1 n LEU 453 Ca -0.01 -0.88 0.23 0.00 -0.03 0.00 0.00 56.01 55.32 2jj1 n LEU 453 Cb 0.20 -0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.01 2jj1 n LEU 453 CO 0.25 0.44 1.21 0.44 -1.33 0.00 0.00 177.39 178.41 2jj1 h ASP 454 N 3.82 0.00 -0.37 -1.43 3.32 -1.71 0.10 116.42 120.16 2jj1 h ASP 454 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jj1 h ASP 454 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2jj1 h ASP 454 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 2jj1 n LYS 455 N -4.14 2.34 -3.77 3.56 5.02 -1.26 -4.94 118.16 114.97 2jj1 n LYS 455 Ca 0.12 -2.13 -0.36 0.00 -2.02 0.00 0.00 58.31 53.92 2jj1 n LYS 455 Cb 0.75 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 2jj1 n LYS 455 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2jj1 s LEU 456 N -1.26 4.40 0.22 -0.35 2.96 0.36 -5.04 118.68 119.96 2jj1 s LEU 456 Ca 0.33 0.59 -0.31 0.00 -0.22 0.00 0.00 54.13 54.52 2jj1 s LEU 456 Cb 0.19 -2.37 -0.11 0.00 0.50 0.00 0.00 46.19 44.40 2jj1 s LEU 456 CO 0.26 0.34 1.62 -0.70 -1.32 0.00 0.00 176.35 176.55 2jj1 s GLU 457 N -1.28 4.17 0.18 1.98 2.12 -1.26 -4.92 118.70 119.68 2jj1 s GLU 457 Ca 0.21 2.50 -0.21 0.00 0.36 0.00 0.00 54.97 57.82 2jj1 s GLU 457 Cb -0.13 -3.09 0.10 0.00 0.26 0.00 0.00 34.13 31.27 2jj1 s GLU 457 CO 0.10 -0.64 1.59 -1.35 -0.54 0.00 0.00 175.26 174.42 2jj1 h PRO 458 N 6.13 -0.18 -0.41 4.30 0.11 -1.95 -1.06 132.00 138.94 2jj1 h PRO 458 Ca -0.44 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.80 2jj1 h PRO 458 Cb 1.21 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2jj1 h PRO 458 CO 0.89 -0.12 0.37 0.66 -0.21 0.00 0.00 178.00 179.59 2jj1 h SER 459 N -0.19 0.00 1.37 -2.05 4.64 -1.98 -1.32 113.55 114.01 2jj1 h SER 459 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2jj1 h SER 459 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2jj1 h SER 459 CO -0.61 0.00 -0.13 0.11 -0.87 0.00 0.00 176.83 175.33 2jj1 h LYS 460 N 0.00 0.00 -0.60 4.77 1.57 -1.56 -3.40 116.57 117.35 2jj1 h LYS 460 Ca 0.19 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2jj1 h LYS 460 Cb 0.94 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 2jj1 h LYS 460 CO -0.00 0.00 0.40 0.82 -0.57 0.00 0.00 179.45 180.10 2jj1 h ILE 461 N 0.00 1.15 -0.63 1.86 1.08 -1.18 -1.21 117.51 118.58 2jj1 h ILE 461 Ca 0.00 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 2jj1 h ILE 461 Cb 0.75 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 2jj1 h ILE 461 CO 0.00 0.15 0.12 0.71 -0.69 0.00 0.00 178.15 178.44 2jj1 h THR 462 N 0.82 1.25 -0.37 -0.27 1.35 -1.80 0.35 112.91 114.24 2jj1 h THR 462 Ca 0.22 -0.97 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 2jj1 h THR 462 Cb -0.09 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 66.95 2jj1 h THR 462 CO -0.05 0.36 0.19 0.50 -0.25 0.00 0.00 175.52 176.28 2jj1 h LYS 463 N 0.96 0.52 0.08 4.72 3.64 -1.75 -2.49 116.57 122.25 2jj1 h LYS 463 Ca 0.20 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2jj1 h LYS 463 Cb 0.39 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 2jj1 h LYS 463 CO 0.01 0.44 -0.29 0.35 -2.27 0.00 0.00 179.45 177.68 2jj1 h PHE 464 N 0.46 -0.79 -0.84 1.91 3.57 -0.76 -2.61 116.94 117.87 2jj1 h PHE 464 Ca 0.13 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.75 2jj1 h PHE 464 Cb 0.08 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 2jj1 h PHE 464 CO -0.02 -0.39 0.48 1.49 -2.23 0.00 0.00 178.31 177.63 2jj1 h GLU 465 N -0.49 0.77 -0.40 1.11 4.81 -0.79 0.34 114.58 119.93 2jj1 h GLU 465 Ca 0.04 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jj1 h GLU 465 Cb 0.54 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2jj1 h GLU 465 CO -0.20 0.51 0.21 -0.97 -0.73 0.00 0.00 179.01 177.83 2jj1 h ASN 466 N 0.79 0.50 -0.16 1.04 -1.24 -1.23 0.19 115.58 115.47 2jj1 h ASN 466 Ca 0.41 -0.10 -0.12 0.00 0.71 0.00 0.00 56.30 57.20 2jj1 h ASN 466 Cb 0.40 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2jj1 h ASN 466 CO -0.26 0.46 -0.38 0.00 -1.29 0.00 0.00 177.43 175.96 2jj1 h ALA 467 N 1.07 0.27 -0.76 1.57 0.00 -1.00 -2.29 119.26 118.13 2jj1 h ALA 467 Ca 0.14 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2jj1 h ALA 467 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2jj1 h ALA 467 CO -0.02 0.35 0.29 0.35 0.00 0.00 0.00 179.25 180.22 2jj1 h PHE 468 N 0.19 1.17 -0.22 0.00 3.57 -0.23 -1.87 116.94 119.55 2jj1 h PHE 468 Ca -0.00 -0.10 -0.16 0.00 3.53 0.00 0.00 57.97 61.24 2jj1 h PHE 468 Cb 0.99 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2jj1 h PHE 468 CO 0.10 0.90 -0.48 1.25 -2.23 0.00 0.00 178.31 177.84 2jj1 h LEU 469 N 1.10 0.81 -0.67 0.59 5.85 -1.02 -1.92 115.31 120.06 2jj1 h LEU 469 Ca 0.25 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.49 2jj1 h LEU 469 Cb 0.24 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2jj1 h LEU 469 CO -0.02 1.21 0.34 0.28 -0.34 0.00 0.00 178.44 179.92 2jj1 h SER 470 N 0.44 0.48 -0.21 1.25 0.02 -1.31 -0.27 113.55 113.95 2jj1 h SER 470 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2jj1 h SER 470 Cb 1.09 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2jj1 h SER 470 CO 0.11 0.29 0.13 -0.74 -1.14 0.00 0.00 176.83 175.48 2jj1 h HIS 471 N 0.62 0.28 0.00 3.45 -0.00 -1.24 0.19 115.15 118.43 2jj1 h HIS 471 Ca 0.31 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.60 2jj1 h HIS 471 Cb 0.26 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2jj1 h HIS 471 CO -0.10 0.21 -0.41 -0.39 -0.00 0.00 0.00 177.93 177.24 2jj1 h VAL 472 N 0.26 0.92 0.04 5.26 -1.51 -0.96 0.22 116.25 120.48 2jj1 h VAL 472 Ca 0.08 -1.66 -0.23 0.00 -1.23 0.00 0.00 66.70 63.66 2jj1 h VAL 472 Cb 0.01 2.01 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2jj1 h VAL 472 CO -0.01 0.40 -1.05 0.40 -1.23 0.00 0.00 177.57 176.08 2jj1 h ILE 473 N 0.00 1.62 0.21 7.19 2.04 -0.94 -2.73 117.51 124.90 2jj1 h ILE 473 Ca -0.00 -3.17 -0.01 0.00 1.00 0.00 0.00 64.86 62.67 2jj1 h ILE 473 Cb 0.98 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 2jj1 h ILE 473 CO 0.05 0.91 -0.10 -1.28 0.00 0.00 0.00 178.15 177.74 2jj1 h SER 474 N 0.04 -0.24 0.22 1.72 0.87 -0.21 -3.40 113.55 112.54 2jj1 h SER 474 Ca -0.05 -0.12 -0.34 0.00 -1.23 0.00 0.00 61.79 60.05 2jj1 h SER 474 Cb 1.78 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.74 2jj1 h SER 474 CO 0.15 0.27 -2.07 0.00 -0.53 0.00 0.00 176.83 174.65 2jj1 n GLN 475 N -4.96 0.67 -2.49 2.24 6.02 0.74 -4.59 117.38 115.01 2jj1 n GLN 475 Ca -0.05 0.17 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 2jj1 n GLN 475 Cb 0.18 -1.66 -0.00 0.00 1.02 0.00 0.00 30.24 29.78 2jj1 n GLN 475 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jj1 n HIS 476 N -3.02 3.45 -0.31 1.08 8.25 -1.03 -4.72 115.22 118.92 2jj1 n HIS 476 Ca -0.28 -3.14 -0.05 0.00 -0.26 0.00 0.00 57.72 53.99 2jj1 n HIS 476 Cb 1.08 -0.36 0.07 0.00 1.12 0.00 0.00 29.99 31.90 2jj1 n HIS 476 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2jj1 h GLN 477 N 2.78 1.21 -0.43 -0.41 5.75 -1.75 -1.81 115.11 120.45 2jj1 h GLN 477 Ca 0.32 -0.19 0.08 0.00 -0.15 0.00 0.00 58.65 58.71 2jj1 h GLN 477 Cb 0.69 -0.21 -0.07 0.00 1.07 0.00 0.00 27.48 28.95 2jj1 h GLN 477 CO 0.94 0.94 -0.03 0.00 -2.65 0.00 0.00 178.83 178.03 2jj1 h ALA 478 N 1.21 0.37 -0.63 3.38 0.00 -1.90 0.54 119.26 122.22 2jj1 h ALA 478 Ca 0.28 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2jj1 h ALA 478 Cb 0.14 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jj1 h ALA 478 CO -0.03 -0.41 0.20 1.25 0.00 0.00 0.00 179.25 180.26 2jj1 h LEU 479 N 0.07 0.89 -0.71 0.00 6.46 -1.86 -1.11 115.31 119.06 2jj1 h LEU 479 Ca 0.21 -0.15 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 2jj1 h LEU 479 Cb 0.32 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2jj1 h LEU 479 CO -0.38 0.83 0.12 -0.07 -0.62 0.00 0.00 178.44 178.32 2jj1 h LEU 480 N 0.93 1.06 -2.19 2.25 3.38 -0.58 -2.30 115.31 117.86 2jj1 h LEU 480 Ca 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jj1 h LEU 480 Cb 0.26 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jj1 h LEU 480 CO -0.01 1.04 0.02 -1.28 0.09 0.00 0.00 178.44 178.30 2jj1 h SER 481 N 1.04 0.00 0.61 -0.43 0.87 0.12 -3.13 113.55 112.63 2jj1 h SER 481 Ca 0.21 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 2jj1 h SER 481 Cb 0.42 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2jj1 h SER 481 CO 0.01 0.00 -1.49 0.29 -0.53 0.00 0.00 176.83 175.11 2jj1 n LYS 482 N -4.24 0.63 0.07 2.24 5.02 -0.53 -2.82 118.16 118.53 2jj1 n LYS 482 Ca -0.03 0.13 -0.05 0.00 -2.02 0.00 0.00 58.31 56.35 2jj1 n LYS 482 Cb 0.11 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 33.52 2jj1 n LYS 482 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2jj1 h ILE 483 N 0.00 1.35 0.00 -0.18 2.04 -1.38 -2.62 117.51 116.72 2jj1 h ILE 483 Ca -0.14 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 63.95 2jj1 h ILE 483 Cb 1.45 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 2jj1 h ILE 483 CO 0.03 0.53 0.00 -1.14 0.00 0.00 0.00 178.15 177.57 2jj1 n ARG 484 N -3.95 0.00 -0.30 2.37 0.63 -1.21 -3.66 116.66 110.54 2jj1 n ARG 484 Ca -0.02 0.40 -0.03 0.00 -0.92 0.00 0.00 57.85 57.29 2jj1 n ARG 484 Cb 0.56 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.34 2jj1 n ARG 484 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2jj1 n THR 485 N -1.71 -0.43 0.29 5.15 -1.04 -1.13 -0.59 114.28 114.83 2jj1 n THR 485 Ca 0.00 1.78 0.16 0.00 -2.04 0.00 0.00 64.05 63.96 2jj1 n THR 485 Cb 0.00 -2.32 0.77 0.00 -1.82 0.00 0.00 70.33 66.96 2jj1 n THR 485 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2jj1 h ASP 486 N 0.00 0.00 0.00 8.00 5.19 -1.62 -3.46 116.42 124.53 2jj1 h ASP 486 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 2jj1 h ASP 486 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 2jj1 h ASP 486 CO -0.74 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 175.99 2jj1 n GLY 487 N -0.60 1.99 0.00 2.75 0.00 0.24 -4.88 105.19 104.69 2jj1 n GLY 487 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2jj1 n GLY 487 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jj1 n LYS 488 N 0.00 1.99 -3.43 1.61 2.85 -1.26 0.82 118.16 120.73 2jj1 n LYS 488 Ca 0.00 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.82 2jj1 n LYS 488 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 2jj1 n LYS 488 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2jj1 s ILE 489 N 1.10 5.15 1.00 0.58 1.01 -1.26 -4.69 121.20 124.09 2jj1 s ILE 489 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 2jj1 s ILE 489 Cb 0.00 -4.01 0.19 0.00 0.01 0.00 0.00 42.46 38.65 2jj1 s ILE 489 CO 0.00 -0.49 1.08 -0.94 0.00 0.00 0.00 174.94 174.59 2jj1 s SER 490 N 2.28 2.41 0.44 3.58 1.04 -1.26 -4.70 113.70 117.49 2jj1 s SER 490 Ca 0.04 1.58 0.14 0.00 0.48 0.00 0.00 55.95 58.19 2jj1 s SER 490 Cb -0.23 -2.25 1.03 0.00 0.10 0.00 0.00 66.02 64.68 2jj1 s SER 490 CO 0.07 -3.32 1.99 -0.33 0.98 0.00 0.00 173.24 172.63 2jj1 h GLU 491 N -2.02 0.39 -0.25 4.02 5.08 -1.98 0.16 114.58 119.99 2jj1 h GLU 491 Ca -0.53 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.72 2jj1 h GLU 491 Cb 1.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2jj1 h GLU 491 CO 0.51 0.26 -0.16 1.49 -1.00 0.00 0.00 179.01 180.11 2jj1 h GLU 492 N 0.40 0.55 -0.20 2.33 4.81 -1.99 -0.96 114.58 119.52 2jj1 h GLU 492 Ca 0.26 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2jj1 h GLU 492 Cb 0.49 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2jj1 h GLU 492 CO -0.07 0.83 -0.31 0.77 -0.73 0.00 0.00 179.01 179.50 2jj1 h SER 493 N 0.26 0.40 0.54 1.04 0.02 -1.74 -1.32 113.55 112.75 2jj1 h SER 493 Ca 0.05 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2jj1 h SER 493 Cb 0.69 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2jj1 h SER 493 CO 0.04 0.70 -0.17 -0.78 -1.14 0.00 0.00 176.83 175.48 2jj1 h ASP 494 N 0.34 0.00 0.01 3.07 -0.00 -0.56 -1.96 116.42 117.33 2jj1 h ASP 494 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.07 2jj1 h ASP 494 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 2jj1 h ASP 494 CO 0.06 0.17 -0.00 0.00 -0.00 0.00 0.00 179.24 179.46 2jj1 h ALA 495 N 1.83 -0.01 -0.80 -0.78 0.00 -0.43 -2.96 119.26 116.11 2jj1 h ALA 495 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2jj1 h ALA 495 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2jj1 h ALA 495 CO 0.02 -0.05 0.53 -0.22 0.00 0.00 0.00 179.25 179.53 2jj1 h LYS 496 N -0.92 1.04 -0.11 0.00 1.63 -1.18 -2.51 116.57 114.51 2jj1 h LYS 496 Ca -0.00 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 2jj1 h LYS 496 Cb 0.83 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2jj1 h LYS 496 CO 0.00 0.69 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.56 2jj1 h LEU 497 N 1.07 0.24 -1.33 5.20 3.38 -1.52 -0.34 115.31 122.01 2jj1 h LEU 497 Ca 0.30 -0.41 0.27 0.00 0.09 0.00 0.00 57.88 58.12 2jj1 h LEU 497 Cb -0.10 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.48 2jj1 h LEU 497 CO -0.07 0.60 0.67 0.50 0.09 0.00 0.00 178.44 180.23 2jj1 h LYS 498 N -0.12 0.39 0.10 1.13 3.64 -1.30 -0.91 116.57 119.50 2jj1 h LYS 498 Ca 0.02 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 2jj1 h LYS 498 Cb 0.51 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2jj1 h LYS 498 CO 0.02 0.26 -1.52 0.93 -2.27 0.00 0.00 179.45 176.87 2jj1 h GLU 499 N 0.40 0.21 -0.63 1.90 4.39 -1.29 -3.13 114.58 116.42 2jj1 h GLU 499 Ca 0.61 -0.35 0.09 0.00 0.34 0.00 0.00 59.36 60.05 2jj1 h GLU 499 Cb 1.51 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 30.22 2jj1 h GLU 499 CO -0.32 1.17 0.26 0.82 -1.16 0.00 0.00 179.01 179.78 2jj1 h ILE 500 N -0.34 0.79 0.35 3.13 2.04 -0.59 -2.63 117.51 120.26 2jj1 h ILE 500 Ca -0.34 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2jj1 h ILE 500 Cb 1.74 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2jj1 h ILE 500 CO 0.02 0.08 -0.17 0.58 0.00 0.00 0.00 178.15 178.66 2jj1 h VAL 501 N 0.46 0.56 -0.78 1.67 2.07 -1.34 -1.35 116.25 117.54 2jj1 h VAL 501 Ca 0.32 -0.64 0.18 0.00 0.82 0.00 0.00 66.70 67.37 2jj1 h VAL 501 Cb 0.37 0.84 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 2jj1 h VAL 501 CO -0.29 0.11 0.23 0.71 0.02 0.00 0.00 177.57 178.34 2jj1 h THR 502 N -0.87 0.50 0.03 2.57 1.35 -1.48 0.33 112.91 115.33 2jj1 h THR 502 Ca -0.05 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2jj1 h THR 502 Cb 0.53 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 2jj1 h THR 502 CO 0.08 0.06 -0.01 0.78 -0.25 0.00 0.00 175.52 176.17 2jj1 h ASN 503 N 0.30 -0.03 -0.53 5.36 2.35 -1.53 -2.70 115.58 118.80 2jj1 h ASN 503 Ca 0.45 -0.67 0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2jj1 h ASN 503 Cb 0.80 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 39.07 2jj1 h ASN 503 CO -0.52 0.69 -0.19 0.15 -1.65 0.00 0.00 177.43 175.91 2jj1 h PHE 504 N -0.78 -0.47 -0.60 1.19 3.57 -0.77 -1.29 116.94 117.79 2jj1 h PHE 504 Ca -0.00 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2jj1 h PHE 504 Cb 0.70 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2jj1 h PHE 504 CO 0.17 -0.29 0.38 1.25 -2.23 0.00 0.00 178.31 177.60 2jj1 h LEU 505 N -0.07 0.65 -1.08 0.59 5.85 -0.42 -0.73 115.31 120.10 2jj1 h LEU 505 Ca 0.25 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2jj1 h LEU 505 Cb 0.46 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2jj1 h LEU 505 CO -0.58 0.46 0.62 0.00 -0.34 0.00 0.00 178.44 178.60 2jj1 h ALA 506 N 1.24 1.37 -0.65 1.25 0.00 -1.08 -1.31 119.26 120.08 2jj1 h ALA 506 Ca 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jj1 h ALA 506 Cb -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 2jj1 h ALA 506 CO -0.08 0.56 0.21 0.78 0.00 0.00 0.00 179.25 180.72 2jj1 h GLY 507 N 1.22 1.09 0.84 0.00 0.00 -0.19 -1.80 103.07 104.24 2jj1 h GLY 507 Ca 0.36 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2jj1 h GLY 507 CO -0.10 0.60 -0.36 -2.75 0.00 0.00 0.00 176.54 173.93 2jj1 h PHE 508 N 0.95 -0.94 0.00 5.60 3.57 -0.39 -3.07 116.94 122.65 2jj1 h PHE 508 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2jj1 h PHE 508 Cb 0.29 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2jj1 h PHE 508 CO 0.02 -0.54 0.00 0.39 -2.23 0.00 0.00 178.31 175.95 2jj1 n GLU 509 N -5.49 0.04 0.00 1.11 1.02 -0.57 -5.11 120.64 111.64 2jj1 n GLU 509 Ca -0.12 0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 2jj1 n GLU 509 Cb 0.38 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.51 2jj1 n GLU 509 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31