#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jor n ILE 2 N 0.00 0.00 0.00 3.17 -0.00 -1.26 -4.96 119.36 116.31 2jor n ILE 2 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.85 2jor n ILE 2 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 39.64 39.35 2jor n ILE 2 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2jor n ASP 3 N -0.75 0.00 -4.64 4.38 8.00 -1.26 -4.94 116.55 117.34 2jor n ASP 3 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 2jor n ASP 3 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2jor n ASP 3 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jor n ASN 4 N 0.00 1.09 0.00 -2.24 3.02 -1.26 -4.98 115.26 110.89 2jor n ASN 4 Ca 0.00 0.82 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 2jor n ASN 4 Cb 0.00 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.74 2jor n ASN 4 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2jor n GLU 5 N -1.18 0.00 -2.95 3.52 2.13 -1.26 -4.86 120.64 116.04 2jor n GLU 5 Ca 0.14 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.98 2jor n GLU 5 Cb 0.47 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.10 2jor n GLU 5 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2jor s LYS 6 N 0.00 0.32 1.06 5.31 2.47 -1.26 -4.98 119.74 122.67 2jor s LYS 6 Ca 0.00 -0.03 -0.13 0.00 -1.56 0.00 0.00 55.97 54.26 2jor s LYS 6 Cb 0.00 0.06 0.22 0.00 -1.46 0.00 0.00 37.83 36.65 2jor s LYS 6 CO 0.00 -0.50 1.08 0.14 0.16 0.00 0.00 175.35 176.23 2jor s VAL 7 N 2.18 1.99 0.00 4.02 -7.23 -1.26 -5.02 120.40 115.08 2jor s VAL 7 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 2jor s VAL 7 Cb -0.00 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2jor s VAL 7 CO -0.15 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 174.99 2jor n THR 8 N -4.41 0.00 -2.25 5.32 -2.24 -1.26 -5.07 114.28 104.37 2jor n THR 8 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2jor n THR 8 Cb 0.57 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2jor n THR 8 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jor n SER 9 N -2.73 0.00 0.00 3.42 2.88 -1.26 -5.18 113.62 110.75 2jor n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jor n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jor n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jor n GLY 10 N 0.00 -0.78 2.84 0.46 0.00 -1.26 -5.11 105.19 101.33 2jor n GLY 10 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2jor n GLY 10 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jor n HIS 11 N 0.00 -2.58 0.00 1.61 8.25 -1.26 -4.11 115.22 117.12 2jor n HIS 11 Ca 0.00 1.37 0.00 0.00 -0.26 0.00 0.00 57.72 58.83 2jor n HIS 11 Cb 0.00 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.34 2jor n HIS 11 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jor n THR 12 N 1.62 0.00 -3.37 1.59 -2.24 -1.26 -4.81 114.28 105.82 2jor n THR 12 Ca -0.16 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 2jor n THR 12 Cb 0.32 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2jor n THR 12 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2jor n THR 13 N 0.00 -7.93 -3.45 4.28 -1.04 -1.26 -5.01 114.28 99.87 2jor n THR 13 Ca 0.00 -0.68 -0.12 0.00 -2.04 0.00 0.00 64.05 61.21 2jor n THR 13 Cb 0.00 -5.65 -0.03 0.00 -1.82 0.00 0.00 70.33 62.84 2jor n THR 13 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jor s THR 14 N -3.22 0.00 0.06 12.58 -1.32 -1.26 -5.08 115.64 117.40 2jor s THR 14 Ca 0.24 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.79 2jor s THR 14 Cb -0.06 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 2jor s THR 14 CO 0.80 0.00 -0.18 0.28 -2.21 0.00 0.00 174.62 173.31 2jor s THR 15 N -3.33 1.43 0.28 5.08 -1.32 -1.26 -5.15 115.64 111.37 2jor s THR 15 Ca 0.00 -1.21 0.09 0.00 -1.21 0.00 0.00 61.69 59.36 2jor s THR 15 Cb -0.01 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 2jor s THR 15 CO -0.10 0.04 0.07 -0.13 -2.21 0.00 0.00 174.62 172.29 2jor s ARG 16 N -1.37 2.43 0.00 7.08 3.00 -1.26 -5.00 118.95 123.83 2jor s ARG 16 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 55.73 54.39 2jor s ARG 16 Cb -0.09 -2.24 0.00 0.00 0.00 0.00 0.00 34.95 32.62 2jor s ARG 16 CO 0.02 0.31 0.00 0.54 0.00 0.00 0.00 175.30 176.17 2jor n ARG 17 N -1.01 0.00 0.00 3.54 1.74 -1.26 -4.89 116.66 114.77 2jor n ARG 17 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2jor n ARG 17 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 2jor n ARG 17 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jor n SER 18 N 0.00 0.00 -4.45 0.55 2.88 -1.26 -4.66 113.62 106.68 2jor n SER 18 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2jor n SER 18 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2jor n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jor s SER 20 N -3.47 6.99 -0.19 0.00 0.01 0.91 -4.30 113.70 113.65 2jor s SER 20 Ca 0.29 1.28 -0.02 0.00 1.31 0.00 0.00 55.95 58.82 2jor s SER 20 Cb 0.01 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.76 2jor s SER 20 CO 0.13 -0.79 0.01 -0.54 0.41 0.00 0.00 173.24 172.46 2jor s LYS 21 N 3.47 0.87 -0.19 12.44 -0.14 -1.14 -4.34 119.74 130.71 2jor s LYS 21 Ca 0.47 -0.48 0.01 0.00 -1.36 0.00 0.00 55.97 54.61 2jor s LYS 21 Cb -0.15 -2.09 0.03 0.00 -1.68 0.00 0.00 37.83 33.95 2jor s LYS 21 CO 0.12 -0.59 -0.14 0.14 -0.76 0.00 0.00 175.35 174.12 2jor s VAL 22 N 1.78 1.79 -0.26 3.17 -7.23 -1.25 -2.01 120.40 116.39 2jor s VAL 22 Ca -0.01 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 2jor s VAL 22 Cb -0.17 -1.74 0.06 0.00 0.56 0.00 0.00 36.38 35.09 2jor s VAL 22 CO -0.07 0.33 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.30 2jor s ILE 23 N 1.36 2.14 -0.20 -0.62 1.09 -0.70 -4.10 121.20 120.17 2jor s ILE 23 Ca 0.01 -1.61 0.00 0.00 -1.10 0.00 0.00 60.65 57.95 2jor s ILE 23 Cb -0.15 -2.25 0.05 0.00 -1.06 0.00 0.00 42.46 39.05 2jor s ILE 23 CO -0.10 -0.02 -0.05 -0.89 -0.10 0.00 0.00 174.94 173.77 2jor s THR 24 N 1.11 1.32 -0.26 2.92 2.01 -1.26 -1.18 115.64 120.31 2jor s THR 24 Ca -0.09 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.00 2jor s THR 24 Cb -0.20 -1.55 0.06 0.00 0.01 0.00 0.00 72.50 70.83 2jor s THR 24 CO -0.05 0.01 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.27 2jor s LYS 25 N 1.52 1.96 -0.26 4.92 1.02 0.12 -4.58 119.74 124.43 2jor s LYS 25 Ca -0.02 -1.24 -0.07 0.00 0.02 0.00 0.00 55.97 54.65 2jor s LYS 25 Cb -0.17 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2jor s LYS 25 CO -0.07 -0.60 0.07 0.99 -0.92 0.00 0.00 175.35 174.82 2jor s THR 26 N 1.20 4.18 -0.34 2.17 2.01 -1.26 -1.22 115.64 122.38 2jor s THR 26 Ca -0.07 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 2jor s THR 26 Cb -0.20 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.32 2jor s THR 26 CO -0.06 0.26 0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 2jor s VAL 27 N 1.58 4.20 -0.41 3.82 1.01 -0.67 -4.71 120.40 125.22 2jor s VAL 27 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 2jor s VAL 27 Cb -0.16 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2jor s VAL 27 CO 0.03 -0.11 0.24 -0.89 0.00 0.00 0.00 175.10 174.37 2jor s THR 28 N 1.50 4.18 -0.34 3.92 2.01 -1.26 -2.22 115.64 123.43 2jor s THR 28 Ca 0.01 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.51 2jor s THR 28 Cb -0.19 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2jor s THR 28 CO 0.04 -0.47 0.29 0.20 -0.69 0.00 0.00 174.62 173.99 2jor s ASN 29 N 2.02 6.11 0.14 3.53 0.01 -0.94 -4.92 114.94 120.88 2jor s ASN 29 Ca 0.03 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.88 2jor s ASN 29 Cb -0.22 -2.16 0.24 0.00 0.41 0.00 0.00 41.25 39.52 2jor s ASN 29 CO 0.02 -0.27 0.93 0.00 -1.51 0.00 0.00 177.10 176.27 2jor n ALA 30 N 5.21 0.47 1.20 0.60 0.00 -1.26 -0.60 120.51 126.13 2jor n ALA 30 Ca -0.11 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2jor n ALA 30 Cb 0.50 -0.52 0.50 0.00 0.00 0.00 0.00 19.45 19.92 2jor n ALA 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jor n ASP 31 N -1.56 0.00 0.00 0.00 9.92 -1.26 -4.77 116.55 118.87 2jor n ASP 31 Ca -0.00 -0.68 0.00 0.00 -0.53 0.00 0.00 54.79 53.58 2jor n ASP 31 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 2jor n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jor n GLY 32 N 0.19 0.57 3.92 0.44 0.00 0.23 -5.08 105.19 105.45 2jor n GLY 32 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2jor n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jor s ARG 33 N -0.92 3.55 -0.28 1.61 0.52 -1.07 -5.00 118.95 117.36 2jor s ARG 33 Ca 0.00 -0.25 -0.09 0.00 -0.52 0.00 0.00 55.73 54.87 2jor s ARG 33 Cb 0.00 -2.79 0.13 0.00 0.52 0.00 0.00 34.95 32.81 2jor s ARG 33 CO 0.00 0.35 0.61 -0.08 0.02 0.00 0.00 175.30 176.20 2jor s THR 34 N -1.92 -0.94 0.02 0.02 -1.32 -1.26 -2.21 115.64 108.03 2jor s THR 34 Ca 0.40 0.03 0.08 0.00 -1.21 0.00 0.00 61.69 60.98 2jor s THR 34 Cb -0.11 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 2jor s THR 34 CO 0.29 0.01 -0.23 -1.61 -2.21 0.00 0.00 174.62 170.87 2jor s GLU 35 N 2.85 2.03 -0.19 7.08 0.41 -0.94 -5.02 118.70 124.91 2jor s GLU 35 Ca -0.03 -0.98 -0.01 0.00 -0.41 0.00 0.00 54.97 53.53 2jor s GLU 35 Cb -0.12 -2.10 0.05 0.00 -1.78 0.00 0.00 34.13 30.18 2jor s GLU 35 CO -0.18 0.54 -0.00 0.99 -0.49 0.00 0.00 175.26 176.12 2jor s THR 36 N -0.79 0.85 -0.32 3.63 2.01 -1.26 -1.68 115.64 118.09 2jor s THR 36 Ca 0.12 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 2jor s THR 36 Cb -0.10 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 2jor s THR 36 CO 0.02 -0.08 0.21 -0.89 -0.69 0.00 0.00 174.62 173.19 2jor s THR 37 N 1.72 5.08 -0.42 -0.82 2.01 -0.36 -4.96 115.64 117.90 2jor s THR 37 Ca -0.01 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.85 2jor s THR 37 Cb -0.17 -3.58 0.42 0.00 0.01 0.00 0.00 72.50 69.18 2jor s THR 37 CO -0.07 0.05 1.03 0.29 -0.69 0.00 0.00 174.62 175.23 2jor n LYS 38 N 5.06 2.66 -2.03 4.92 5.02 -1.26 -0.71 118.16 131.82 2jor n LYS 38 Ca -0.13 -4.14 -0.27 0.00 -2.02 0.00 0.00 58.31 51.75 2jor n LYS 38 Cb 0.50 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 2jor n LYS 38 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jor s GLU 39 N -3.37 2.44 -0.19 1.97 2.02 -0.33 -4.90 118.70 116.34 2jor s GLU 39 Ca 0.42 -0.84 -0.06 0.00 0.02 0.00 0.00 54.97 54.51 2jor s GLU 39 Cb 0.40 -5.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.43 2jor s GLU 39 CO -0.12 -3.87 0.02 0.14 0.02 0.00 0.00 175.26 171.44 2jor s VAL 40 N 11.06 4.17 -0.17 2.63 -7.23 -1.26 -1.72 120.40 127.89 2jor s VAL 40 Ca 0.70 -0.24 -0.03 0.00 -1.81 0.00 0.00 61.98 60.60 2jor s VAL 40 Cb -0.03 -2.88 0.06 0.00 0.56 0.00 0.00 36.38 34.08 2jor s VAL 40 CO 0.09 0.44 0.04 -0.69 -0.31 0.00 0.00 175.10 174.67 2jor s VAL 41 N 0.80 0.35 -0.13 1.32 1.01 -0.85 -5.01 120.40 117.88 2jor s VAL 41 Ca 0.01 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2jor s VAL 41 Cb -0.14 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 2jor s VAL 41 CO 0.02 -0.16 -0.19 -0.54 0.00 0.00 0.00 175.10 174.23 2jor s LYS 42 N 1.94 3.16 -0.60 2.72 1.02 -1.26 -2.88 119.74 123.84 2jor s LYS 42 Ca 0.01 -0.79 -0.10 0.00 0.02 0.00 0.00 55.97 55.10 2jor s LYS 42 Cb -0.16 -2.50 0.15 0.00 -0.52 0.00 0.00 37.83 34.80 2jor s LYS 42 CO -0.08 0.08 0.49 0.45 -0.92 0.00 0.00 175.35 175.37 2jor s SER 43 N 0.63 5.95 0.13 2.83 0.15 -1.26 -4.90 113.70 117.23 2jor s SER 43 Ca -0.10 -2.28 0.09 0.00 0.70 0.00 0.00 55.95 54.37 2jor s SER 43 Cb -0.16 -2.06 -0.16 0.00 -1.71 0.00 0.00 66.02 61.93 2jor s SER 43 CO 0.03 -0.62 1.24 -0.08 1.20 0.00 0.00 173.24 175.01 2jor h GLU 44 N 8.07 0.00 0.52 5.44 4.81 -1.96 -3.36 114.58 128.09 2jor h GLU 44 Ca -0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2jor h GLU 44 Cb 1.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.43 2jor h GLU 44 CO 0.83 0.84 -0.25 0.38 -0.73 0.00 0.00 179.01 180.09 2jor h ASP 45 N 0.00 -0.59 -3.87 1.04 2.03 -1.98 -3.44 116.42 109.62 2jor h ASP 45 Ca -0.04 0.02 -0.46 0.00 -0.73 0.00 0.00 57.03 55.83 2jor h ASP 45 Cb 1.71 0.15 0.16 0.00 -0.83 0.00 0.00 39.33 40.53 2jor h ASP 45 CO 0.11 -0.38 0.19 -0.83 -1.03 0.00 0.00 179.24 177.30 2jor s GLY 46 N -1.76 1.57 -0.28 7.15 0.00 -1.26 -5.00 107.32 107.74 2jor s GLY 46 Ca -0.10 -0.32 0.11 0.00 0.00 0.00 0.00 44.72 44.41 2jor s GLY 46 CO 0.30 0.29 1.44 -1.26 0.00 0.00 0.00 173.10 173.86 2jor n SER 47 N -4.19 -1.35 -3.78 1.64 2.88 -1.26 -4.95 113.62 102.60 2jor n SER 47 Ca 0.05 -2.13 -0.12 0.00 -1.33 0.00 0.00 58.87 55.34 2jor n SER 47 Cb 0.57 0.61 -0.08 0.00 -0.75 0.00 0.00 64.21 64.56 2jor n SER 47 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2jor s ASP 48 N -1.06 -0.11 -0.16 -3.46 1.47 -1.25 -4.94 116.67 107.15 2jor s ASP 48 Ca 0.08 -0.11 -0.14 0.00 1.18 0.00 0.00 52.55 53.56 2jor s ASP 48 Cb 0.38 0.31 0.05 0.00 -0.34 0.00 0.00 42.92 43.31 2jor s ASP 48 CO -0.11 -0.51 0.42 0.00 0.68 0.00 0.00 175.17 175.65 2jor n GLY 50 N 3.18 5.21 0.00 0.00 0.00 -1.26 -4.06 105.19 108.26 2jor n GLY 50 Ca -0.16 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.27 2jor n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jor n ASP 51 N 1.50 0.00 -3.07 1.61 8.00 -1.26 -5.08 116.55 118.25 2jor n ASP 51 Ca 0.29 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.84 2jor n ASP 51 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 2jor n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jor s ALA 52 N 0.00 -4.31 0.47 2.24 0.00 -1.26 -4.94 121.76 113.96 2jor s ALA 52 Ca 0.00 1.39 -0.21 0.00 0.00 0.00 0.00 51.96 53.14 2jor s ALA 52 Cb 0.00 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 2jor s ALA 52 CO 0.00 -2.21 1.03 -0.51 0.00 0.00 0.00 175.76 174.07 2jor s ASP 53 N 2.77 6.45 0.00 0.00 1.11 -1.10 -4.55 116.67 121.35 2jor s ASP 53 Ca 0.27 1.93 0.00 0.00 0.18 0.00 0.00 52.55 54.93 2jor s ASP 53 Cb 0.00 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.43 2jor s ASP 53 CO -0.21 -0.70 0.00 0.49 1.18 0.00 0.00 175.17 175.93 2jor n PHE 54 N -0.80 0.00 -1.59 4.23 3.01 -1.26 -3.98 117.46 117.07 2jor n PHE 54 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2jor n PHE 54 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2jor n PHE 54 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2jor n ASP 55 N 1.79 -8.56 0.00 4.37 -0.08 -1.26 -0.06 116.55 112.75 2jor n ASP 55 Ca 0.00 1.62 0.00 0.00 -1.51 0.00 0.00 54.79 54.90 2jor n ASP 55 Cb 0.00 -5.00 0.00 0.00 2.34 0.00 0.00 41.12 38.46 2jor n ASP 55 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2jor n TRP 56 N -1.90 0.00 -2.20 -0.67 7.02 -1.26 -4.31 117.44 114.11 2jor n TRP 56 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 2jor n TRP 56 Cb 0.28 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.16 2jor n TRP 56 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 2jor n HIS 57 N -1.11 -2.51 -3.53 -5.99 -0.00 -1.26 -3.91 115.22 96.91 2jor n HIS 57 Ca 0.00 1.24 -0.00 0.00 0.46 0.00 0.00 57.72 59.42 2jor n HIS 57 Cb 0.00 -3.00 -0.05 0.00 -0.12 0.00 0.00 29.99 26.82 2jor n HIS 57 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jor s HIS 58 N -0.78 -0.52 -0.20 1.57 5.04 -1.26 -3.75 115.29 115.38 2jor s HIS 58 Ca -0.06 0.98 -0.09 0.00 -1.54 0.00 0.00 55.06 54.35 2jor s HIS 58 Cb 0.00 0.31 0.08 0.00 0.04 0.00 0.00 32.58 33.02 2jor s HIS 58 CO 0.47 -0.26 0.46 0.95 -2.34 0.00 0.00 174.74 174.03 2jor s THR 59 N 1.76 -0.38 0.23 0.89 -4.23 -1.26 -3.82 115.64 108.83 2jor s THR 59 Ca -0.06 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2jor s THR 59 Cb -0.04 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 2jor s THR 59 CO -0.15 0.05 0.41 -0.36 -0.54 0.00 0.00 174.62 174.03 2jor s PHE 60 N 2.09 3.48 0.04 3.99 0.40 -1.26 -4.72 117.98 122.01 2jor s PHE 60 Ca -0.06 0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 56.30 2jor s PHE 60 Cb -0.10 -1.83 -0.17 0.00 0.51 0.00 0.00 43.02 41.43 2jor s PHE 60 CO -0.14 0.34 1.45 -1.00 0.70 0.00 0.00 175.22 176.58 2jor h PRO 61 N 1.71 -0.55 0.04 0.24 0.13 -1.88 -3.24 132.00 128.45 2jor h PRO 61 Ca -0.49 0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2jor h PRO 61 Cb 1.20 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2jor h PRO 61 CO 0.66 -0.28 -0.44 1.03 -0.23 0.00 0.00 178.00 178.74 2jor h SER 62 N -0.73 -1.32 -0.89 1.44 0.87 -1.96 -3.44 113.55 107.53 2jor h SER 62 Ca -0.06 0.15 0.18 0.00 -1.23 0.00 0.00 61.79 60.84 2jor h SER 62 Cb 0.52 0.51 -0.23 0.00 -0.44 0.00 0.00 62.40 62.75 2jor h SER 62 CO 0.10 -0.48 0.19 -0.60 -0.53 0.00 0.00 176.83 175.50 2jor s ARG 63 N -5.88 0.29 -0.39 2.24 3.52 -1.22 -5.08 118.95 112.42 2jor s ARG 63 Ca -0.16 0.68 0.03 0.00 -0.13 0.00 0.00 55.73 56.15 2jor s ARG 63 Cb 0.08 0.40 0.30 0.00 -1.56 0.00 0.00 34.95 34.17 2jor s ARG 63 CO 0.63 -0.14 1.20 0.41 -0.81 0.00 0.00 175.30 176.58 2jor n GLY 64 N 5.07 -0.78 2.16 8.12 0.00 -1.23 -4.49 105.19 114.04 2jor n GLY 64 Ca -0.08 0.56 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 2jor n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jor n ASN 65 N 0.95 6.90 -0.96 1.61 6.94 -1.26 -3.98 115.26 125.46 2jor n ASN 65 Ca 0.02 -2.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.02 2jor n ASN 65 Cb 0.71 -1.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.65 2jor n ASN 65 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2jor n LEU 66 N 2.92 2.70 0.00 -4.53 7.94 -1.25 -4.96 117.00 119.82 2jor n LEU 66 Ca 0.59 -1.35 0.00 0.00 -1.11 0.00 0.00 56.01 54.14 2jor n LEU 66 Cb 0.59 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2jor n LEU 66 CO 0.46 0.46 0.00 0.47 -1.11 0.00 0.00 177.39 177.67 2jor n ASP 67 N 0.48 0.00 -3.59 1.96 9.92 -1.26 -4.67 116.55 119.38 2jor n ASP 67 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 2jor n ASP 67 Cb 0.46 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 2jor n ASP 67 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2jor s ASP 68 N -4.00 -0.19 -0.95 -2.24 -4.77 -1.26 -4.32 116.67 98.94 2jor s ASP 68 Ca 0.00 0.10 -0.11 0.00 -3.30 0.00 0.00 52.55 49.24 2jor s ASP 68 Cb 0.00 0.17 0.01 0.00 -1.09 0.00 0.00 42.92 42.01 2jor s ASP 68 CO 0.00 -0.24 0.67 0.49 0.70 0.00 0.00 175.17 176.79 2jor n PHE 69 N 0.23 -2.03 -2.82 2.11 3.72 -1.26 -4.93 117.46 112.48 2jor n PHE 69 Ca -0.03 0.65 -0.11 0.00 -0.05 0.00 0.00 57.45 57.92 2jor n PHE 69 Cb 0.59 -3.10 0.04 0.00 -0.94 0.00 0.00 39.48 36.06 2jor n PHE 69 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2jor n PHE 70 N -3.28 -2.78 0.00 1.38 7.35 -1.26 -4.97 117.46 113.91 2jor n PHE 70 Ca -0.19 -2.11 0.00 0.00 -0.76 0.00 0.00 57.45 54.39 2jor n PHE 70 Cb 0.62 1.25 0.00 0.00 0.35 0.00 0.00 39.48 41.70 2jor n PHE 70 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 2jor n HIS 71 N 1.41 -0.48 -3.24 -5.13 -0.00 -1.26 -4.82 115.22 101.69 2jor n HIS 71 Ca 0.11 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.26 2jor n HIS 71 Cb 0.63 0.22 -0.04 0.00 -0.12 0.00 0.00 29.99 30.68 2jor n HIS 71 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2jor s ARG 72 N -1.45 0.47 0.21 1.57 0.52 -1.26 -4.90 118.95 114.12 2jor s ARG 72 Ca 0.00 0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 55.52 2jor s ARG 72 Cb 0.00 -0.02 0.03 0.00 0.52 0.00 0.00 34.95 35.48 2jor s ARG 72 CO 0.00 -0.88 0.57 -0.51 0.02 0.00 0.00 175.30 174.51 2jor s ASP 73 N 2.68 -0.30 -0.41 0.23 1.11 -1.26 -2.72 116.67 116.00 2jor s ASP 73 Ca 0.13 -0.45 0.04 0.00 0.18 0.00 0.00 52.55 52.45 2jor s ASP 73 Cb -0.13 0.61 0.17 0.00 1.07 0.00 0.00 42.92 44.64 2jor s ASP 73 CO -0.24 -1.10 0.34 -0.75 1.18 0.00 0.00 175.17 174.60 2jor s LYS 74 N -3.87 0.87 -0.91 8.23 2.47 -1.26 -5.06 119.74 120.21 2jor s LYS 74 Ca 0.09 -1.97 -0.25 0.00 -1.56 0.00 0.00 55.97 52.28 2jor s LYS 74 Cb -0.02 -1.33 -0.06 0.00 -1.46 0.00 0.00 37.83 34.96 2jor s LYS 74 CO -0.02 -1.37 1.98 0.34 0.16 0.00 0.00 175.35 176.44 2jor s ASP 75 N 0.21 5.05 0.00 1.43 2.15 -1.26 -3.66 116.67 120.59 2jor s ASP 75 Ca 0.31 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.63 2jor s ASP 75 Cb 0.01 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2jor s ASP 75 CO -0.17 -2.84 0.00 -0.67 -0.17 0.00 0.00 175.17 171.32 2jor n ASP 76 N 14.33 0.00 -1.66 -0.34 2.03 -1.26 -4.99 116.55 124.66 2jor n ASP 76 Ca 0.41 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.56 2jor n ASP 76 Cb 0.47 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.81 2jor n ASP 76 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jor n PHE 77 N -0.09 -0.44 0.00 -0.67 7.35 -1.24 -4.06 117.46 118.31 2jor n PHE 77 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2jor n PHE 77 Cb 0.00 -2.99 0.00 0.00 0.35 0.00 0.00 39.48 36.84 2jor n PHE 77 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jor n PHE 78 N -2.39 0.00 1.43 -5.13 -0.00 -1.26 -5.27 117.46 104.84 2jor n PHE 78 Ca -0.17 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.40 2jor n PHE 78 Cb 0.55 0.00 0.68 0.00 -0.00 0.00 0.00 39.48 40.71 2jor n PHE 78 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01