#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jor h ILE 2 N 0.00 0.34 -3.32 1.12 5.03 -2.13 -3.45 117.51 115.10 2jor h ILE 2 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.70 2jor h ILE 2 Cb 0.00 0.34 -0.12 0.00 -3.03 0.00 0.00 36.82 34.01 2jor h ILE 2 CO 0.00 0.00 -0.01 -0.62 -0.68 0.00 0.00 178.15 176.84 2jor s ASP 3 N -4.97 -0.28 0.75 1.72 2.15 -1.26 -5.17 116.67 109.61 2jor s ASP 3 Ca -0.15 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.51 2jor s ASP 3 Cb 0.11 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 2jor s ASP 3 CO 0.67 -0.92 0.00 0.59 -0.17 0.00 0.00 175.17 175.34 2jor n ASN 4 N -0.28 -0.55 -0.24 -0.34 4.13 -1.26 -5.08 115.26 111.63 2jor n ASN 4 Ca -0.14 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 55.64 2jor n ASN 4 Cb 0.64 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 2jor n ASN 4 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2jor n GLU 5 N -1.03 0.00 -3.52 3.52 0.28 -1.26 -5.13 120.64 113.51 2jor n GLU 5 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 2jor n GLU 5 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2jor n GLU 5 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2jor s LYS 6 N 0.27 0.93 0.96 3.44 -2.85 -1.26 -5.15 119.74 116.08 2jor s LYS 6 Ca 0.00 0.02 -0.11 0.00 -1.00 0.00 0.00 55.97 54.88 2jor s LYS 6 Cb 0.00 0.44 0.17 0.00 -2.06 0.00 0.00 37.83 36.37 2jor s LYS 6 CO 0.00 -0.33 1.12 0.14 0.10 0.00 0.00 175.35 176.38 2jor s VAL 7 N -1.90 2.08 0.67 1.79 -7.23 -1.26 -4.96 120.40 109.60 2jor s VAL 7 Ca -0.04 0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.03 2jor s VAL 7 Cb -0.00 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.87 2jor s VAL 7 CO 0.01 -0.04 1.07 -0.89 -0.31 0.00 0.00 175.10 174.94 2jor s THR 8 N -2.62 3.76 -0.30 5.32 2.01 -1.26 -5.05 115.64 117.51 2jor s THR 8 Ca 0.67 0.67 -0.03 0.00 0.31 0.00 0.00 61.69 63.31 2jor s THR 8 Cb -0.23 -3.28 0.19 0.00 0.01 0.00 0.00 72.50 69.19 2jor s THR 8 CO 0.59 -0.65 0.80 -0.44 -0.69 0.00 0.00 174.62 174.23 2jor s SER 9 N -3.30 -1.06 -0.25 3.53 0.01 -1.26 -5.11 113.70 106.26 2jor s SER 9 Ca 0.61 0.25 -0.28 0.00 1.31 0.00 0.00 55.95 57.84 2jor s SER 9 Cb -0.16 1.73 -0.04 0.00 0.21 0.00 0.00 66.02 67.76 2jor s SER 9 CO 0.48 -0.20 2.05 -0.83 0.41 0.00 0.00 173.24 175.16 2jor s GLY 10 N 2.89 0.65 0.01 3.44 0.00 -1.26 -4.33 107.32 108.72 2jor s GLY 10 Ca 0.16 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2jor s GLY 10 CO -0.22 3.59 0.00 1.57 0.00 0.00 0.00 173.10 178.04 2jor n HIS 11 N 11.01 -1.14 -0.02 1.90 -0.00 -1.26 -4.94 115.22 120.78 2jor n HIS 11 Ca 0.27 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2jor n HIS 11 Cb 0.45 0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.74 2jor n HIS 11 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2jor n THR 12 N -1.97 0.60 -3.64 3.57 -2.24 -1.26 -4.54 114.28 104.79 2jor n THR 12 Ca 0.00 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2jor n THR 12 Cb 0.00 -1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 67.14 2jor n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jor s THR 13 N 1.10 0.00 -0.30 4.28 -1.32 -1.26 -5.16 115.64 112.98 2jor s THR 13 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 2jor s THR 13 Cb 0.00 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 2jor s THR 13 CO 0.00 0.00 0.84 -0.89 -2.21 0.00 0.00 174.62 172.36 2jor s THR 14 N 0.85 -0.71 -0.00 5.08 2.01 -1.26 -5.01 115.64 116.59 2jor s THR 14 Ca -0.04 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 2jor s THR 14 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2jor s THR 14 CO -0.12 0.00 0.13 0.42 -0.69 0.00 0.00 174.62 174.36 2jor s THR 15 N 2.66 5.06 0.04 -0.82 -4.23 -1.26 -5.11 115.64 111.98 2jor s THR 15 Ca -0.03 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 2jor s THR 15 Cb -0.09 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 2jor s THR 15 CO -0.18 0.33 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.07 2jor s ARG 16 N -1.86 0.51 0.00 3.99 3.00 -1.26 -4.80 118.95 118.54 2jor s ARG 16 Ca 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 55.73 54.96 2jor s ARG 16 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 34.95 35.00 2jor s ARG 16 CO 0.16 -0.09 0.00 -2.13 0.00 0.00 0.00 175.30 173.25 2jor n ARG 17 N 0.59 0.00 -0.06 3.54 0.63 -1.26 -4.89 116.66 115.21 2jor n ARG 17 Ca -0.17 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.69 2jor n ARG 17 Cb 0.59 -1.67 -0.05 0.00 0.45 0.00 0.00 32.46 31.78 2jor n ARG 17 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2jor h SER 18 N 0.00 0.00 -2.14 6.15 0.02 -1.87 -3.35 113.55 112.36 2jor h SER 18 Ca 0.00 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2jor h SER 18 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jor h SER 18 CO 0.00 0.77 0.00 0.00 -1.14 0.00 0.00 176.83 176.46 2jor s SER 20 N -0.23 6.78 -0.06 0.00 1.04 -1.26 -3.83 113.70 116.14 2jor s SER 20 Ca 0.00 2.14 -0.02 0.00 0.48 0.00 0.00 55.95 58.55 2jor s SER 20 Cb 0.00 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.61 2jor s SER 20 CO 0.00 -0.80 0.12 -0.54 0.98 0.00 0.00 173.24 173.00 2jor s LYS 21 N 3.01 0.04 -0.22 4.02 -0.14 -0.72 -4.86 119.74 120.87 2jor s LYS 21 Ca 0.67 0.39 0.02 0.00 -1.36 0.00 0.00 55.97 55.68 2jor s LYS 21 Cb -0.32 -0.24 0.04 0.00 -1.68 0.00 0.00 37.83 35.63 2jor s LYS 21 CO 0.27 -0.21 -0.14 0.08 -0.76 0.00 0.00 175.35 174.58 2jor s VAL 22 N 1.50 2.01 -0.19 3.17 1.01 -1.26 -0.60 120.40 126.03 2jor s VAL 22 Ca -0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 2jor s VAL 22 Cb -0.12 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.32 2jor s VAL 22 CO -0.05 0.23 -0.00 -0.51 0.00 0.00 0.00 175.10 174.77 2jor s ILE 23 N 1.24 0.86 -0.08 2.22 2.07 0.11 -4.87 121.20 122.74 2jor s ILE 23 Ca -0.02 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 2jor s ILE 23 Cb -0.16 -1.24 0.02 0.00 0.13 0.00 0.00 42.46 41.20 2jor s ILE 23 CO -0.09 -0.11 -0.10 0.42 -1.91 0.00 0.00 174.94 173.15 2jor s THR 24 N 1.71 1.08 -0.25 4.00 -4.23 -1.24 0.19 115.64 116.90 2jor s THR 24 Ca -0.02 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.12 2jor s THR 24 Cb -0.17 -1.03 0.06 0.00 1.34 0.00 0.00 72.50 72.70 2jor s THR 24 CO -0.07 0.36 -0.10 -0.75 -0.54 0.00 0.00 174.62 173.51 2jor s LYS 25 N 1.08 2.14 -0.21 3.99 2.47 0.52 -4.91 119.74 124.81 2jor s LYS 25 Ca -0.07 -1.22 -0.03 0.00 -1.56 0.00 0.00 55.97 53.09 2jor s LYS 25 Cb -0.14 -2.78 -0.01 0.00 -1.46 0.00 0.00 37.83 33.43 2jor s LYS 25 CO -0.01 -0.55 -0.05 0.95 0.16 0.00 0.00 175.35 175.85 2jor s THR 26 N 1.19 3.34 -0.35 3.43 -4.23 -1.26 0.22 115.64 117.98 2jor s THR 26 Ca -0.07 -0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 59.85 2jor s THR 26 Cb -0.19 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.18 2jor s THR 26 CO -0.06 0.44 0.14 -0.69 -0.54 0.00 0.00 174.62 173.91 2jor s VAL 27 N 1.32 4.01 -0.39 2.29 1.01 -0.89 -4.72 120.40 123.02 2jor s VAL 27 Ca 0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 60.84 2jor s VAL 27 Cb -0.14 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.02 2jor s VAL 27 CO -0.02 -0.22 0.22 -0.89 0.00 0.00 0.00 175.10 174.18 2jor s THR 28 N 1.44 4.23 -0.19 3.92 2.01 -1.26 -2.89 115.64 122.90 2jor s THR 28 Ca -0.00 -1.21 -0.11 0.00 0.31 0.00 0.00 61.69 60.67 2jor s THR 28 Cb -0.20 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2jor s THR 28 CO 0.04 -0.37 0.19 0.21 -0.69 0.00 0.00 174.62 174.00 2jor s ASN 29 N 1.82 6.27 0.07 3.53 2.47 -0.96 -4.93 114.94 123.21 2jor s ASN 29 Ca 0.02 0.31 0.01 0.00 0.42 0.00 0.00 52.86 53.62 2jor s ASN 29 Cb -0.21 -2.12 0.08 0.00 -1.45 0.00 0.00 41.25 37.54 2jor s ASN 29 CO 0.03 0.13 0.74 0.00 -3.72 0.00 0.00 177.10 174.29 2jor n ALA 30 N 3.66 0.32 0.67 1.71 0.00 -1.26 -0.57 120.51 125.05 2jor n ALA 30 Ca -0.14 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.37 2jor n ALA 30 Cb 0.52 -0.34 0.34 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.32 0.00 0.00 0.00 9.92 -1.26 -4.79 116.55 119.11 2jor n ASP 31 Ca -0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 2jor n ASP 31 Cb 0.38 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 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 -0.18 0.95 3.59 0.44 0.00 0.27 -5.09 105.19 105.17 2jor n GLY 32 Ca 0.07 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2jor n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jor s ARG 33 N -0.77 2.30 -0.20 1.61 1.70 -1.17 -5.02 118.95 117.40 2jor s ARG 33 Ca 0.00 -0.92 -0.04 0.00 -0.47 0.00 0.00 55.73 54.30 2jor s ARG 33 Cb 0.00 -2.39 0.10 0.00 -0.57 0.00 0.00 34.95 32.09 2jor s ARG 33 CO 0.00 0.54 0.29 0.99 -1.08 0.00 0.00 175.30 176.04 2jor s THR 34 N -1.16 -0.45 0.06 4.99 2.01 -1.26 -2.27 115.64 117.55 2jor s THR 34 Ca 0.21 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.25 2jor s THR 34 Cb -0.11 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2jor s THR 34 CO 0.12 -0.09 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.34 2jor s GLU 35 N 2.43 2.59 -0.28 4.92 8.01 -1.14 -4.98 118.70 130.24 2jor s GLU 35 Ca 0.07 -0.78 -0.02 0.00 0.01 0.00 0.00 54.97 54.26 2jor s GLU 35 Cb -0.15 -2.56 0.04 0.00 -4.31 0.00 0.00 34.13 27.16 2jor s GLU 35 CO -0.12 0.57 -0.02 0.95 0.01 0.00 0.00 175.26 176.64 2jor s THR 36 N -1.21 2.93 -0.40 3.63 -4.23 -1.26 -2.11 115.64 112.99 2jor s THR 36 Ca 0.23 -1.26 -0.17 0.00 -1.18 0.00 0.00 61.69 59.30 2jor s THR 36 Cb -0.12 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.12 2jor s THR 36 CO 0.15 0.00 0.46 -0.89 -0.54 0.00 0.00 174.62 173.79 2jor s THR 37 N 1.27 5.06 0.21 3.99 2.01 0.61 -4.89 115.64 123.91 2jor s THR 37 Ca -0.04 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2jor s THR 37 Cb -0.19 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2jor s THR 37 CO -0.02 -0.36 0.00 0.29 -0.69 0.00 0.00 174.62 173.84 2jor n LYS 38 N 5.65 -1.22 0.00 4.92 4.76 -1.26 0.19 118.16 131.20 2jor n LYS 38 Ca -0.07 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 2jor n LYS 38 Cb 0.48 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 2jor n LYS 38 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jor n GLU 39 N -3.02 0.00 -4.03 1.97 4.07 0.51 -3.87 120.64 116.28 2jor n GLU 39 Ca -0.03 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.73 2jor n GLU 39 Cb 0.26 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.54 2jor n GLU 39 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2jor s VAL 40 N 2.04 4.82 -0.25 6.31 -7.23 -1.26 0.07 120.40 124.90 2jor s VAL 40 Ca 0.00 -0.03 -0.00 0.00 -1.81 0.00 0.00 61.98 60.14 2jor s VAL 40 Cb 0.00 -3.15 0.07 0.00 0.56 0.00 0.00 36.38 33.87 2jor s VAL 40 CO 0.00 0.50 0.00 -0.69 -0.31 0.00 0.00 175.10 174.60 2jor s VAL 41 N 0.06 1.21 0.20 1.32 1.01 0.24 -4.95 120.40 119.49 2jor s VAL 41 Ca 0.06 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.91 2jor s VAL 41 Cb -0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2jor s VAL 41 CO 0.01 -0.27 0.30 -0.54 0.00 0.00 0.00 175.10 174.60 2jor s LYS 42 N 1.52 3.34 0.10 2.72 1.02 -1.26 -1.76 119.74 125.42 2jor s LYS 42 Ca -0.01 -0.75 0.09 0.00 0.02 0.00 0.00 55.97 55.33 2jor s LYS 42 Cb -0.18 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2jor s LYS 42 CO -0.10 0.46 -0.24 -1.54 -0.92 0.00 0.00 175.35 173.01 2jor s SER 43 N -3.65 2.88 -0.09 2.83 1.04 -1.25 -4.60 113.70 110.86 2jor s SER 43 Ca 0.34 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.84 2jor s SER 43 Cb -0.10 -0.19 -0.28 0.00 0.10 0.00 0.00 66.02 65.55 2jor s SER 43 CO 0.28 0.13 0.78 -0.33 0.98 0.00 0.00 173.24 175.08 2jor h GLU 44 N 4.13 0.17 -2.19 4.02 5.08 -1.84 -3.47 114.58 120.49 2jor h GLU 44 Ca -0.48 -0.30 0.21 0.00 -1.00 0.00 0.00 59.36 57.79 2jor h GLU 44 Cb 1.17 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 2jor h GLU 44 CO 0.40 1.14 0.56 0.16 -1.00 0.00 0.00 179.01 180.27 2jor s ASP 45 N -6.71 -0.13 0.00 1.42 -4.77 -1.26 -5.15 116.67 100.07 2jor s ASP 45 Ca -0.17 -0.39 0.00 0.00 -3.30 0.00 0.00 52.55 48.70 2jor s ASP 45 Cb 0.00 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 2jor s ASP 45 CO 0.76 -0.80 0.00 0.61 0.70 0.00 0.00 175.17 176.45 2jor n GLY 46 N -0.50 -2.17 0.99 2.12 0.00 -1.26 -4.96 105.19 99.40 2jor n GLY 46 Ca -0.06 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.87 2jor n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jor n SER 47 N 2.16 3.07 -1.10 1.61 7.64 -1.26 -4.06 113.62 121.68 2jor n SER 47 Ca 0.00 -2.00 0.02 0.00 1.01 0.00 0.00 58.87 57.91 2jor n SER 47 Cb 0.00 -0.04 0.24 0.00 -1.01 0.00 0.00 64.21 63.40 2jor n SER 47 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jor n ASP 48 N 1.37 3.46 -3.83 6.43 8.00 -1.26 -4.69 116.55 126.02 2jor n ASP 48 Ca 0.15 -3.31 -0.13 0.00 0.71 0.00 0.00 54.79 52.21 2jor n ASP 48 Cb 0.60 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2jor n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jor n GLY 50 N 3.26 1.12 0.07 0.00 0.00 -1.26 -4.46 105.19 103.91 2jor n GLY 50 Ca -0.15 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2jor n GLY 50 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jor h ASP 51 N 0.00 0.00 0.00 1.61 1.82 -1.88 -3.41 116.42 114.55 2jor h ASP 51 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2jor h ASP 51 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2jor h ASP 51 CO 0.00 0.10 -0.17 0.00 -1.61 0.00 0.00 179.24 177.57 2jor n ALA 52 N -1.84 3.00 -1.60 -0.78 0.00 -1.26 -4.71 120.51 113.31 2jor n ALA 52 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jor n ALA 52 Cb 0.44 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2jor n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jor n ASP 53 N -3.32 -2.41 -3.82 0.00 -0.08 -1.26 -1.39 116.55 104.27 2jor n ASP 53 Ca 0.00 0.02 -0.23 0.00 -1.51 0.00 0.00 54.79 53.08 2jor n ASP 53 Cb 0.08 -1.30 0.13 0.00 2.34 0.00 0.00 41.12 42.37 2jor n ASP 53 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2jor n PHE 54 N -0.68 -1.91 -3.41 -0.67 7.35 -1.26 -2.36 117.46 114.53 2jor n PHE 54 Ca 0.01 0.16 -0.39 0.00 -0.76 0.00 0.00 57.45 56.47 2jor n PHE 54 Cb 0.19 -1.43 -0.09 0.00 0.35 0.00 0.00 39.48 38.51 2jor n PHE 54 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 2jor s ASP 55 N -1.74 6.28 0.00 -2.13 1.47 -1.26 -4.28 116.67 115.00 2jor s ASP 55 Ca 0.38 0.32 0.00 0.00 1.18 0.00 0.00 52.55 54.43 2jor s ASP 55 Cb -0.05 -2.21 0.00 0.00 -0.34 0.00 0.00 42.92 40.33 2jor s ASP 55 CO 0.43 -0.14 0.00 0.79 0.68 0.00 0.00 175.17 176.92 2jor n TRP 56 N 5.09 0.00 -0.28 2.11 8.01 -1.26 -4.95 117.44 126.16 2jor n TRP 56 Ca -0.09 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.14 2jor n TRP 56 Cb 0.51 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.79 2jor n TRP 56 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.69 174.29 2jor n HIS 57 N 0.00 -0.73 -1.49 -5.99 1.44 -1.26 -4.63 115.22 102.55 2jor n HIS 57 Ca 0.00 0.40 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 2jor n HIS 57 Cb 0.00 -0.67 0.00 0.00 0.12 0.00 0.00 29.99 29.44 2jor n HIS 57 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jor n HIS 58 N -2.64 0.00 -3.36 -1.40 -0.00 -1.26 -4.92 115.22 101.63 2jor n HIS 58 Ca -0.01 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.19 2jor n HIS 58 Cb 0.13 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.98 2jor n HIS 58 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2jor s THR 59 N -1.53 -0.91 0.33 3.57 2.01 -1.26 -4.87 115.64 112.98 2jor s THR 59 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2jor s THR 59 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 2jor s THR 59 CO 0.00 0.00 0.72 -0.36 -0.69 0.00 0.00 174.62 174.29 2jor s PHE 60 N 2.85 3.40 0.14 4.92 0.08 -1.26 -4.92 117.98 123.19 2jor s PHE 60 Ca 0.07 1.12 -0.18 0.00 0.12 0.00 0.00 56.93 58.07 2jor s PHE 60 Cb -0.13 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.86 2jor s PHE 60 CO -0.19 0.07 1.74 -1.00 -0.10 0.00 0.00 175.22 175.74 2jor h PRO 61 N 2.03 0.18 0.00 0.24 0.13 -1.94 -3.31 132.00 129.34 2jor h PRO 61 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jor h PRO 61 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jor h PRO 61 CO 0.65 0.12 0.00 -1.13 -0.23 0.00 0.00 178.00 177.42 2jor n SER 62 N -5.06 0.00 -3.48 1.44 3.41 -1.26 -4.85 113.62 103.83 2jor n SER 62 Ca -0.01 0.42 -0.14 0.00 -0.26 0.00 0.00 58.87 58.89 2jor n SER 62 Cb 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 2jor n SER 62 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jor s ARG 63 N -0.84 0.25 0.53 4.33 0.52 -1.25 -5.13 118.95 117.36 2jor s ARG 63 Ca 0.00 0.46 -0.20 0.00 -0.52 0.00 0.00 55.73 55.47 2jor s ARG 63 Cb 0.00 -0.66 -0.08 0.00 0.52 0.00 0.00 34.95 34.73 2jor s ARG 63 CO 0.00 -0.56 0.81 0.41 0.02 0.00 0.00 175.30 175.98 2jor n GLY 64 N 5.35 -0.74 2.69 -3.53 0.00 -1.24 -4.65 105.19 103.06 2jor n GLY 64 Ca -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2jor n GLY 64 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jor n ASN 65 N 0.13 -1.71 -0.09 1.61 5.15 -1.26 -4.92 115.26 114.16 2jor n ASN 65 Ca 0.12 -2.41 -0.11 0.00 -0.60 0.00 0.00 54.58 51.58 2jor n ASN 65 Cb 0.44 1.28 -0.10 0.00 -0.53 0.00 0.00 39.78 40.88 2jor n ASN 65 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2jor n LEU 66 N 0.92 1.66 -2.79 1.20 -0.00 -1.26 -5.08 117.00 111.66 2jor n LEU 66 Ca 0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 56.01 55.95 2jor n LEU 66 Cb 0.71 -0.21 -0.01 0.00 -0.00 0.00 0.00 43.42 43.91 2jor n LEU 66 CO -0.06 0.62 -0.51 -0.67 -0.00 0.00 0.00 177.39 176.77 2jor n ASP 67 N -2.84 -6.07 0.00 1.96 2.03 -1.26 -4.97 116.55 105.40 2jor n ASP 67 Ca -0.30 1.24 0.00 0.00 0.52 0.00 0.00 54.79 56.25 2jor n ASP 67 Cb 0.92 -4.53 0.00 0.00 -0.72 0.00 0.00 41.12 36.79 2jor n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jor n ASP 68 N 1.14 0.00 -1.32 1.67 5.68 -1.26 -5.06 116.55 117.41 2jor n ASP 68 Ca -0.10 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.35 2jor n ASP 68 Cb 0.23 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.14 2jor n ASP 68 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2jor n PHE 69 N -0.16 -3.26 0.00 2.11 3.72 -1.26 -5.00 117.46 113.61 2jor n PHE 69 Ca 0.00 1.76 0.00 0.00 -0.05 0.00 0.00 57.45 59.16 2jor n PHE 69 Cb 0.00 -2.96 0.00 0.00 -0.94 0.00 0.00 39.48 35.58 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 -4.07 0.00 -2.89 1.38 7.35 -1.26 -4.85 117.46 113.12 2jor n PHE 70 Ca -0.06 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.64 2jor n PHE 70 Cb 0.62 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.45 2jor n PHE 70 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2jor s HIS 71 N 1.97 -0.77 0.07 -5.13 5.04 -1.26 -5.06 115.29 110.15 2jor s HIS 71 Ca 0.00 0.09 -0.34 0.00 -1.54 0.00 0.00 55.06 53.27 2jor s HIS 71 Cb 0.00 0.14 -0.18 0.00 0.04 0.00 0.00 32.58 32.58 2jor s HIS 71 CO 0.00 -0.52 0.82 2.89 -2.34 0.00 0.00 174.74 175.58 2jor n ARG 72 N 3.83 0.00 -3.16 2.88 -4.01 -1.25 -3.34 116.66 111.62 2jor n ARG 72 Ca 0.07 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.88 2jor n ARG 72 Cb 0.62 -1.25 -0.00 0.00 -3.04 0.00 0.00 32.46 28.79 2jor n ARG 72 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2jor n ASP 73 N 1.62 -6.80 -4.52 2.89 9.92 -0.99 -4.81 116.55 113.87 2jor n ASP 73 Ca 0.18 0.52 -0.43 0.00 -0.53 0.00 0.00 54.79 54.54 2jor n ASP 73 Cb 0.14 -1.58 -0.04 0.00 -0.64 0.00 0.00 41.12 39.00 2jor n ASP 73 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2jor s LYS 74 N -0.79 3.32 -0.08 -1.24 2.20 -0.49 -4.97 119.74 117.70 2jor s LYS 74 Ca -0.00 -0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 2jor s LYS 74 Cb 0.00 -4.06 0.09 0.00 -1.51 0.00 0.00 37.83 32.36 2jor s LYS 74 CO 0.00 -1.47 0.79 0.34 -0.36 0.00 0.00 175.35 174.65 2jor s ASP 75 N 2.84 -0.54 -0.30 1.43 2.15 -1.26 -4.90 116.67 116.08 2jor s ASP 75 Ca 0.30 0.55 -0.11 0.00 0.43 0.00 0.00 52.55 53.71 2jor s ASP 75 Cb -0.13 0.46 0.18 0.00 -0.30 0.00 0.00 42.92 43.13 2jor s ASP 75 CO 0.19 -0.54 0.98 -0.62 -0.17 0.00 0.00 175.17 175.01 2jor s ASP 76 N -1.29 -0.60 -0.28 -0.34 2.15 -1.26 -5.14 116.67 109.91 2jor s ASP 76 Ca -0.07 0.34 -0.03 0.00 0.43 0.00 0.00 52.55 53.22 2jor s ASP 76 Cb -0.00 1.49 0.16 0.00 -0.30 0.00 0.00 42.92 44.27 2jor s ASP 76 CO 0.05 -0.11 0.56 -0.36 -0.17 0.00 0.00 175.17 175.14 2jor s PHE 77 N 2.94 -1.37 1.07 -5.34 0.08 -1.26 -5.16 117.98 108.95 2jor s PHE 77 Ca 0.04 1.67 -0.13 0.00 0.12 0.00 0.00 56.93 58.64 2jor s PHE 77 Cb -0.10 0.50 0.23 0.00 -0.57 0.00 0.00 43.02 43.08 2jor s PHE 77 CO -0.13 -0.79 1.07 -0.59 -0.10 0.00 0.00 175.22 174.68 2jor s PHE 78 N 2.80 1.80 -2.00 0.36 -0.71 -1.26 -5.37 117.98 113.60 2jor s PHE 78 Ca 0.13 1.04 0.17 0.00 -1.04 0.00 0.00 56.93 57.24 2jor s PHE 78 Cb -0.14 -3.20 1.04 0.00 -1.21 0.00 0.00 43.02 39.51 2jor s PHE 78 CO -0.19 -3.31 1.45 2.41 -1.34 0.00 0.00 175.22 174.24