#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 -8.62 -1.08 1.12 5.41 -1.26 -4.72 119.36 110.22 2jor n ILE 2 Ca 0.00 -0.06 -0.43 0.00 1.00 0.00 0.00 62.75 63.26 2jor n ILE 2 Cb 0.00 -6.01 -0.07 0.00 -0.71 0.00 0.00 39.64 32.85 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 -1.74 2.30 -3.66 4.38 9.92 -1.26 -4.74 116.55 121.76 2jor n ASP 3 Ca -0.06 -2.65 -0.08 0.00 -0.53 0.00 0.00 54.79 51.47 2jor n ASP 3 Cb 0.54 -1.04 -0.08 0.00 -0.64 0.00 0.00 41.12 39.90 2jor n ASP 3 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2jor s ASN 4 N 5.35 -0.83 0.14 -2.24 -0.87 -1.26 -5.13 114.94 110.11 2jor s ASN 4 Ca 0.60 1.34 -0.31 0.00 -1.57 0.00 0.00 52.86 52.91 2jor s ASN 4 Cb 0.14 1.29 -0.09 0.00 -0.02 0.00 0.00 41.25 42.57 2jor s ASN 4 CO 0.15 -0.23 1.47 -1.61 -2.57 0.00 0.00 177.10 174.32 2jor s GLU 5 N 1.70 4.27 1.22 -0.60 0.41 -1.26 -4.97 118.70 119.46 2jor s GLU 5 Ca -0.09 2.21 -0.17 0.00 -0.41 0.00 0.00 54.97 56.51 2jor s GLU 5 Cb -0.07 -3.20 0.25 0.00 -1.78 0.00 0.00 34.13 29.33 2jor s GLU 5 CO -0.18 -0.51 0.60 1.63 -0.49 0.00 0.00 175.26 176.31 2jor n LYS 6 N 3.87 -2.82 0.26 1.61 5.02 -1.26 -4.79 118.16 120.05 2jor n LYS 6 Ca 0.12 -0.82 0.17 0.00 -2.02 0.00 0.00 58.31 55.77 2jor n LYS 6 Cb 0.40 -1.88 0.87 0.00 -0.02 0.00 0.00 35.03 34.40 2jor n LYS 6 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2jor h VAL 7 N -2.76 0.00 -5.98 -0.18 -1.51 -2.07 -3.46 116.25 100.29 2jor h VAL 7 Ca -0.51 -0.13 -0.36 0.00 -1.23 0.00 0.00 66.70 64.47 2jor h VAL 7 Cb 1.27 0.96 0.11 0.00 -2.13 0.00 0.00 31.29 31.50 2jor h VAL 7 CO 0.37 0.00 -0.88 0.41 -1.23 0.00 0.00 177.57 176.24 2jor n THR 8 N -2.76 -6.95 -2.43 7.19 -1.04 -1.26 -4.89 114.28 102.13 2jor n THR 8 Ca -0.01 -1.03 -0.41 0.00 -2.04 0.00 0.00 64.05 60.56 2jor n THR 8 Cb 0.13 -5.05 -0.04 0.00 -1.82 0.00 0.00 70.33 63.55 2jor n THR 8 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2jor s SER 9 N -3.41 7.15 -0.27 8.00 1.04 -1.26 -4.99 113.70 119.95 2jor s SER 9 Ca 0.44 2.16 -0.37 0.00 0.48 0.00 0.00 55.95 58.66 2jor s SER 9 Cb -0.13 -2.60 0.16 0.00 0.10 0.00 0.00 66.02 63.55 2jor s SER 9 CO 0.82 -0.33 1.35 -0.83 0.98 0.00 0.00 173.24 175.24 2jor s GLY 10 N 0.13 -0.19 0.14 7.32 0.00 -1.26 -4.97 107.32 108.49 2jor s GLY 10 Ca 0.52 1.93 0.08 0.00 0.00 0.00 0.00 44.72 47.25 2jor s GLY 10 CO 0.35 0.66 1.19 1.57 0.00 0.00 0.00 173.10 176.87 2jor n HIS 11 N 0.02 0.27 -0.58 1.90 -0.00 -1.26 -4.72 115.22 110.85 2jor n HIS 11 Ca 0.04 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.36 2jor n HIS 11 Cb 0.57 -0.66 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 2jor n HIS 11 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2jor n THR 12 N -1.75 0.00 -1.35 3.57 -1.04 -1.26 -4.64 114.28 107.82 2jor n THR 12 Ca -0.01 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.13 2jor n THR 12 Cb 0.09 -0.56 -0.07 0.00 -1.82 0.00 0.00 70.33 67.97 2jor n THR 12 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jor n THR 13 N -2.00 -1.06 0.01 12.58 -2.24 -1.26 -5.01 114.28 115.30 2jor n THR 13 Ca 0.00 0.88 0.00 0.00 -2.27 0.00 0.00 64.05 62.66 2jor n THR 13 Cb 0.07 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2jor n THR 13 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jor n THR 14 N -3.95 0.00 -3.22 4.28 -2.24 -1.26 -5.10 114.28 102.79 2jor n THR 14 Ca -0.07 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 2jor n THR 14 Cb 0.56 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 2jor n THR 14 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jor s THR 15 N -2.00 4.77 0.01 4.28 2.01 -1.26 -5.07 115.64 118.38 2jor s THR 15 Ca 0.00 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.25 2jor s THR 15 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2jor s THR 15 CO 0.00 0.50 0.03 -0.13 -0.69 0.00 0.00 174.62 174.33 2jor s ARG 16 N -0.75 0.35 0.00 4.92 3.00 -1.26 -4.92 118.95 120.29 2jor s ARG 16 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 55.73 55.53 2jor s ARG 16 Cb -0.19 0.13 0.00 0.00 0.00 0.00 0.00 34.95 34.89 2jor s ARG 16 CO 0.19 -0.07 0.00 -2.13 0.00 0.00 0.00 175.30 173.29 2jor n ARG 17 N 1.64 0.00 0.25 3.54 0.63 -1.26 -4.70 116.66 116.76 2jor n ARG 17 Ca -0.23 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 56.79 2jor n ARG 17 Cb 0.55 0.00 0.33 0.00 0.45 0.00 0.00 32.46 33.80 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 -5.00 6.15 0.02 -1.92 -2.27 113.55 110.52 2jor h SER 18 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2jor h SER 18 Cb 0.00 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.37 2jor h SER 18 CO 0.00 0.00 -0.70 0.00 -1.14 0.00 0.00 176.83 174.99 2jor s SER 20 N -2.35 6.55 -0.13 0.00 0.15 -1.26 -4.37 113.70 112.29 2jor s SER 20 Ca -0.01 1.85 -0.02 0.00 0.70 0.00 0.00 55.95 58.47 2jor s SER 20 Cb 0.00 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2jor s SER 20 CO -0.05 -1.08 0.00 -0.54 1.20 0.00 0.00 173.24 172.77 2jor s LYS 21 N 4.30 0.78 -0.16 5.44 -0.14 -0.97 -4.57 119.74 124.42 2jor s LYS 21 Ca 0.70 -0.18 0.00 0.00 -1.36 0.00 0.00 55.97 55.14 2jor s LYS 21 Cb -0.27 -1.55 0.03 0.00 -1.68 0.00 0.00 37.83 34.36 2jor s LYS 21 CO 0.27 -0.44 -0.11 0.08 -0.76 0.00 0.00 175.35 174.39 2jor s VAL 22 N 1.88 1.46 -0.28 3.17 1.01 -1.26 -1.96 120.40 124.42 2jor s VAL 22 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2jor s VAL 22 Cb -0.14 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.84 2jor s VAL 22 CO -0.07 0.33 -0.06 -0.63 0.00 0.00 0.00 175.10 174.67 2jor s ILE 23 N 1.51 2.53 -0.21 2.22 1.09 -0.95 -4.73 121.20 122.66 2jor s ILE 23 Ca 0.03 -1.54 0.00 0.00 -1.10 0.00 0.00 60.65 58.04 2jor s ILE 23 Cb -0.14 -2.48 0.05 0.00 -1.06 0.00 0.00 42.46 38.83 2jor s ILE 23 CO -0.09 -0.07 -0.05 0.42 -0.10 0.00 0.00 174.94 175.04 2jor s THR 24 N 1.16 1.38 -0.27 2.92 -4.23 -1.26 -1.22 115.64 114.13 2jor s THR 24 Ca -0.07 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2jor s THR 24 Cb -0.20 -1.62 0.07 0.00 1.34 0.00 0.00 72.50 72.09 2jor s THR 24 CO -0.03 -0.02 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.23 2jor s LYS 25 N 1.48 1.80 -0.26 3.99 2.20 -0.15 -4.72 119.74 124.09 2jor s LYS 25 Ca -0.03 -1.30 -0.06 0.00 -0.36 0.00 0.00 55.97 54.21 2jor s LYS 25 Cb -0.18 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.34 2jor s LYS 25 CO -0.07 -0.67 0.05 0.99 -0.36 0.00 0.00 175.35 175.29 2jor s THR 26 N 1.20 4.00 -0.32 3.43 2.01 -1.25 -1.99 115.64 122.72 2jor s THR 26 Ca -0.03 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 2jor s THR 26 Cb -0.19 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.40 2jor s THR 26 CO -0.07 0.28 0.14 0.54 -0.69 0.00 0.00 174.62 174.81 2jor s VAL 27 N 1.55 4.32 -0.41 3.82 0.11 -0.97 -3.91 120.40 124.90 2jor s VAL 27 Ca 0.05 -0.65 -0.08 0.00 -2.93 0.00 0.00 61.98 58.36 2jor s VAL 27 Cb -0.16 -3.27 0.08 0.00 -1.53 0.00 0.00 36.38 31.50 2jor s VAL 27 CO 0.02 -0.01 0.25 -0.89 -3.33 0.00 0.00 175.10 171.14 2jor s THR 28 N 1.55 4.11 -0.31 5.04 2.01 -1.26 -2.95 115.64 123.84 2jor s THR 28 Ca 0.03 -1.45 -0.13 0.00 0.31 0.00 0.00 61.69 60.45 2jor s THR 28 Cb -0.18 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2jor s THR 28 CO 0.05 -0.51 0.25 0.21 -0.69 0.00 0.00 174.62 173.93 2jor s ASN 29 N 2.08 6.08 0.18 3.53 3.04 -0.91 -4.93 114.94 124.02 2jor s ASN 29 Ca 0.03 -0.15 0.05 0.00 0.04 0.00 0.00 52.86 52.83 2jor s ASN 29 Cb -0.23 -2.15 0.27 0.00 -1.54 0.00 0.00 41.25 37.61 2jor s ASN 29 CO 0.01 -0.17 0.94 0.00 -3.04 0.00 0.00 177.10 174.84 2jor n ALA 30 N 5.15 0.41 0.90 1.71 0.00 -1.26 -0.08 120.51 127.35 2jor n ALA 30 Ca -0.12 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.45 2jor n ALA 30 Cb 0.51 -0.48 0.47 0.00 0.00 0.00 0.00 19.45 19.95 2jor n ALA 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jor n ASP 31 N -1.62 0.00 0.00 0.00 2.03 -1.26 -4.80 116.55 110.89 2jor n ASP 31 Ca -0.00 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2jor n ASP 31 Cb 0.39 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2jor n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jor n GLY 32 N 0.24 0.85 3.91 0.27 0.00 0.89 -5.09 105.19 106.26 2jor n GLY 32 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.78 3.55 -0.29 1.61 0.52 -1.11 -5.00 118.95 117.46 2jor s ARG 33 Ca 0.00 -0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 54.91 2jor s ARG 33 Cb 0.00 -2.89 0.14 0.00 0.52 0.00 0.00 34.95 32.72 2jor s ARG 33 CO 0.00 0.49 0.62 -0.08 0.02 0.00 0.00 175.30 176.35 2jor s THR 34 N -1.67 -0.97 0.05 0.02 -1.32 -1.26 -2.14 115.64 108.35 2jor s THR 34 Ca 0.39 0.01 0.09 0.00 -1.21 0.00 0.00 61.69 60.97 2jor s THR 34 Cb -0.12 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 2jor s THR 34 CO 0.26 0.00 -0.24 -1.61 -2.21 0.00 0.00 174.62 170.83 2jor s GLU 35 N 2.87 1.87 -0.17 7.08 8.01 -1.15 -5.02 118.70 132.18 2jor s GLU 35 Ca 0.01 -1.08 -0.01 0.00 0.01 0.00 0.00 54.97 53.90 2jor s GLU 35 Cb -0.13 -2.04 0.05 0.00 -4.31 0.00 0.00 34.13 27.70 2jor s GLU 35 CO -0.19 0.52 -0.03 0.99 0.01 0.00 0.00 175.26 176.56 2jor s THR 36 N -0.85 0.95 -0.36 3.63 2.01 -1.26 -2.30 115.64 117.46 2jor s THR 36 Ca 0.13 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 2jor s THR 36 Cb -0.10 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.20 2jor s THR 36 CO 0.03 0.02 0.21 0.42 -0.69 0.00 0.00 174.62 174.61 2jor s THR 37 N 1.69 4.74 -0.05 -0.82 -4.23 -0.84 -4.99 115.64 111.13 2jor s THR 37 Ca -0.00 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 2jor s THR 37 Cb -0.16 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2jor s THR 37 CO -0.07 -0.15 -0.15 -0.54 -0.54 0.00 0.00 174.62 173.17 2jor s LYS 38 N 1.60 1.75 -0.38 3.99 1.02 -1.26 -0.98 119.74 125.49 2jor s LYS 38 Ca 0.03 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.52 2jor s LYS 38 Cb -0.18 -1.49 0.16 0.00 -0.52 0.00 0.00 37.83 35.80 2jor s LYS 38 CO 0.07 0.16 0.40 -1.21 -0.92 0.00 0.00 175.35 173.86 2jor s GLU 39 N 0.25 0.67 -0.29 1.68 2.02 -0.35 -5.00 118.70 117.68 2jor s GLU 39 Ca -0.08 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 53.92 2jor s GLU 39 Cb -0.13 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.43 2jor s GLU 39 CO 0.03 -1.20 0.42 0.08 0.02 0.00 0.00 175.26 174.61 2jor s VAL 40 N 1.44 5.13 -0.23 2.63 1.01 -1.26 -2.23 120.40 126.89 2jor s VAL 40 Ca 0.17 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 2jor s VAL 40 Cb -0.14 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.53 2jor s VAL 40 CO -0.03 0.06 0.05 -0.69 0.00 0.00 0.00 175.10 174.49 2jor s VAL 41 N 2.17 0.70 -0.15 2.92 1.01 -0.83 -5.04 120.40 121.19 2jor s VAL 41 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2jor s VAL 41 Cb -0.16 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 2jor s VAL 41 CO 0.10 -0.34 -0.15 -0.54 0.00 0.00 0.00 175.10 174.17 2jor s LYS 42 N 1.75 3.25 -0.42 2.72 -0.14 -1.26 -2.30 119.74 123.34 2jor s LYS 42 Ca 0.02 -0.74 -0.39 0.00 -1.36 0.00 0.00 55.97 53.50 2jor s LYS 42 Cb -0.17 -2.62 -0.17 0.00 -1.68 0.00 0.00 37.83 33.19 2jor s LYS 42 CO -0.13 0.07 1.44 0.45 -0.76 0.00 0.00 175.35 176.42 2jor n SER 43 N 3.91 0.95 -0.59 2.83 2.88 -0.85 -4.78 113.62 117.96 2jor n SER 43 Ca -0.19 0.92 0.09 0.00 -1.33 0.00 0.00 58.87 58.36 2jor n SER 43 Cb 0.52 -0.75 0.31 0.00 -0.75 0.00 0.00 64.21 63.54 2jor n SER 43 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jor n GLU 44 N 3.96 1.77 -3.81 -1.46 1.02 -1.26 -4.67 120.64 116.19 2jor n GLU 44 Ca 0.30 -1.17 -0.13 0.00 -0.02 0.00 0.00 57.16 56.15 2jor n GLU 44 Cb -0.05 -1.36 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 2jor n GLU 44 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jor s ASP 45 N -1.40 -0.10 0.00 1.62 1.01 -1.26 -4.99 116.67 111.55 2jor s ASP 45 Ca 0.30 0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.78 2jor s ASP 45 Cb 0.16 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.28 2jor s ASP 45 CO 0.23 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.16 2jor n GLY 46 N 3.36 1.12 0.95 0.21 0.00 -1.26 -4.72 105.19 104.85 2jor n GLY 46 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 4.02 -1.27 -2.82 1.61 7.64 -1.26 -5.08 113.62 116.46 2jor n SER 47 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2jor n SER 47 Cb 0.00 -0.49 0.01 0.00 -1.01 0.00 0.00 64.21 62.72 2jor n SER 47 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jor s ASP 48 N -2.30 -1.40 0.18 6.43 1.11 -1.26 -5.01 116.67 114.42 2jor s ASP 48 Ca 0.00 -1.66 0.10 0.00 0.18 0.00 0.00 52.55 51.16 2jor s ASP 48 Cb 0.00 1.86 -0.04 0.00 1.07 0.00 0.00 42.92 45.81 2jor s ASP 48 CO 0.00 -0.07 -0.16 0.00 1.18 0.00 0.00 175.17 176.13 2jor n GLY 50 N 0.22 -0.26 3.52 0.00 0.00 -1.26 0.29 105.19 107.70 2jor n GLY 50 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jor n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jor n ASP 51 N -3.01 -1.47 0.01 1.61 -0.08 -1.26 -3.45 116.55 108.90 2jor n ASP 51 Ca -0.30 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 2jor n ASP 51 Cb 0.68 -2.47 0.00 0.00 2.34 0.00 0.00 41.12 41.67 2jor n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jor n ALA 52 N 0.97 0.00 -3.29 -1.67 0.00 0.29 -4.59 120.51 112.22 2jor n ALA 52 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2jor n ALA 52 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 2jor n ALA 52 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jor s ASP 53 N -1.80 -0.55 -0.02 0.00 1.47 0.82 -3.00 116.67 113.60 2jor s ASP 53 Ca 0.00 0.58 -0.30 0.00 1.18 0.00 0.00 52.55 54.01 2jor s ASP 53 Cb 0.00 1.55 -0.06 0.00 -0.34 0.00 0.00 42.92 44.08 2jor s ASP 53 CO 0.00 -0.10 1.52 0.12 0.68 0.00 0.00 175.17 177.39 2jor s PHE 54 N 2.59 2.47 0.41 2.11 5.36 -1.22 -4.32 117.98 125.38 2jor s PHE 54 Ca -0.00 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2jor s PHE 54 Cb -0.07 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 2jor s PHE 54 CO -0.16 -3.13 0.00 -0.40 -1.46 0.00 0.00 175.22 170.08 2jor n ASP 55 N 6.14 -6.48 -0.02 6.13 5.68 -1.26 -4.27 116.55 122.47 2jor n ASP 55 Ca 0.15 1.09 -0.03 0.00 -0.50 0.00 0.00 54.79 55.50 2jor n ASP 55 Cb 0.43 -3.37 -0.01 0.00 -1.14 0.00 0.00 41.12 37.03 2jor n ASP 55 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 2jor n TRP 56 N -1.44 0.00 -3.55 2.11 -0.00 -1.26 -4.73 117.44 108.57 2jor n TRP 56 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.53 2jor n TRP 56 Cb 0.13 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.31 31.32 2jor n TRP 56 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 2jor n HIS 57 N -3.08 -1.88 0.00 5.87 -0.00 -1.26 -4.69 115.22 110.18 2jor n HIS 57 Ca -0.06 0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 2jor n HIS 57 Cb 0.55 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 2jor n HIS 57 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jor n HIS 58 N -1.49 0.00 -3.06 1.57 -0.00 -1.26 -4.70 115.22 106.27 2jor n HIS 58 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 2jor n HIS 58 Cb 0.09 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.96 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 2.30 -0.67 0.13 3.57 2.01 -1.26 -4.90 115.64 116.82 2jor s THR 59 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 2jor s THR 59 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2jor s THR 59 CO 0.00 0.00 0.20 0.72 -0.69 0.00 0.00 174.62 174.85 2jor s PHE 60 N 2.19 3.35 0.14 4.92 -0.12 -1.26 -5.02 117.98 122.19 2jor s PHE 60 Ca 0.16 0.09 -0.18 0.00 -0.05 0.00 0.00 56.93 56.95 2jor s PHE 60 Cb -0.03 -1.63 0.01 0.00 -0.63 0.00 0.00 43.02 40.74 2jor s PHE 60 CO -0.15 0.53 1.74 -1.00 -0.05 0.00 0.00 175.22 176.29 2jor h PRO 61 N 2.49 0.17 0.00 1.99 0.13 -1.95 -3.42 132.00 131.41 2jor h PRO 61 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jor h PRO 61 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jor h PRO 61 CO 0.68 0.11 -0.06 -1.13 -0.23 0.00 0.00 178.00 177.37 2jor n SER 62 N -5.07 0.06 -3.63 1.44 3.41 -1.25 -3.81 113.62 104.77 2jor n SER 62 Ca -0.01 0.30 -0.03 0.00 -0.26 0.00 0.00 58.87 58.88 2jor n SER 62 Cb 0.11 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 2jor n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jor s ARG 63 N -2.00 0.13 0.00 4.33 1.70 -1.26 -4.56 118.95 117.28 2jor s ARG 63 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 2jor s ARG 63 Cb 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2jor s ARG 63 CO 0.00 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 2jor n GLY 64 N 0.53 1.14 3.64 3.88 0.00 -1.26 -5.10 105.19 108.02 2jor n GLY 64 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 2jor n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jor s ASN 65 N 0.00 -0.12 0.00 1.61 6.03 -1.26 -5.02 114.94 116.18 2jor s ASN 65 Ca 0.00 -0.17 0.22 0.00 -1.03 0.00 0.00 52.86 51.88 2jor s ASN 65 Cb 0.00 0.25 0.57 0.00 -3.03 0.00 0.00 41.25 39.05 2jor s ASN 65 CO 0.00 -0.46 1.49 0.18 -2.03 0.00 0.00 177.10 176.28 2jor n LEU 66 N -0.41 3.64 -0.42 3.54 4.77 -1.26 -4.75 117.00 122.11 2jor n LEU 66 Ca -0.07 -1.75 -0.04 0.00 -0.03 0.00 0.00 56.01 54.12 2jor n LEU 66 Cb 0.62 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2jor n LEU 66 CO 0.12 0.87 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.34 2jor n ASP 67 N 1.52 -4.25 0.00 -1.43 2.03 -1.26 -4.10 116.55 109.06 2jor n ASP 67 Ca 0.22 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2jor n ASP 67 Cb 0.59 -2.97 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 2jor n ASP 67 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jor n ASP 68 N -0.14 0.00 0.00 1.67 -0.08 -1.26 -5.06 116.55 111.67 2jor n ASP 68 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2jor n ASP 68 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 2jor n ASP 68 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2jor n PHE 69 N 0.00 0.00 -0.62 -0.67 7.35 -1.26 -5.10 117.46 117.15 2jor n PHE 69 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 2jor n PHE 69 Cb 0.00 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.02 2jor n PHE 69 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jor n PHE 70 N 0.00 0.03 -3.26 -5.13 7.35 -1.26 -2.90 117.46 112.29 2jor n PHE 70 Ca 0.00 0.22 -0.23 0.00 -0.76 0.00 0.00 57.45 56.68 2jor n PHE 70 Cb 0.00 -1.89 0.02 0.00 0.35 0.00 0.00 39.48 37.96 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 -4.44 -1.94 -1.68 -5.13 -0.00 -1.26 -4.84 115.22 95.93 2jor n HIS 71 Ca 0.09 0.54 -0.41 0.00 0.46 0.00 0.00 57.72 58.40 2jor n HIS 71 Cb 0.53 -3.75 0.01 0.00 -0.12 0.00 0.00 29.99 26.66 2jor n HIS 71 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jor n ARG 72 N -3.97 1.76 -3.27 1.57 5.12 -1.14 -4.76 116.66 111.97 2jor n ARG 72 Ca -0.05 0.63 0.03 0.00 -1.93 0.00 0.00 57.85 56.53 2jor n ARG 72 Cb 0.57 -2.30 -0.03 0.00 -1.16 0.00 0.00 32.46 29.54 2jor n ARG 72 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2jor s ASP 73 N -0.60 -0.45 -0.10 0.55 -1.08 -1.26 -4.40 116.67 109.32 2jor s ASP 73 Ca 0.62 0.49 -0.30 0.00 -0.52 0.00 0.00 52.55 52.84 2jor s ASP 73 Cb -0.52 1.46 0.12 0.00 -1.46 0.00 0.00 42.92 42.52 2jor s ASP 73 CO 0.57 -0.09 0.99 -0.75 0.52 0.00 0.00 175.17 176.42 2jor s LYS 74 N 2.54 0.63 0.19 4.34 2.20 -1.26 -5.07 119.74 123.31 2jor s LYS 74 Ca -0.01 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.22 2jor s LYS 74 Cb -0.06 0.29 -0.08 0.00 -1.51 0.00 0.00 37.83 36.47 2jor s LYS 74 CO -0.15 -0.25 1.10 -0.51 -0.36 0.00 0.00 175.35 175.18 2jor s ASP 75 N -1.85 7.26 -0.02 1.43 1.11 -1.26 -4.63 116.67 118.71 2jor s ASP 75 Ca 0.03 2.11 -0.03 0.00 0.18 0.00 0.00 52.55 54.84 2jor s ASP 75 Cb -0.01 -2.61 -0.11 0.00 1.07 0.00 0.00 42.92 41.26 2jor s ASP 75 CO -0.04 -0.22 2.76 0.47 1.18 0.00 0.00 175.17 179.32 2jor n ASP 76 N 2.26 5.37 0.00 0.27 9.92 -1.26 -4.95 116.55 128.16 2jor n ASP 76 Ca 0.02 -2.49 0.00 0.00 -0.53 0.00 0.00 54.79 51.80 2jor n ASP 76 Cb 0.46 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 2jor n ASP 76 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2jor n PHE 77 N 1.89 0.00 -3.15 1.24 3.01 -1.26 -4.54 117.46 114.65 2jor n PHE 77 Ca 0.22 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.72 2jor n PHE 77 Cb 0.69 0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 40.17 2jor n PHE 77 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2jor s PHE 78 N 0.00 -1.43 -2.00 1.38 5.36 -1.26 -5.28 117.98 114.75 2jor s PHE 78 Ca 0.00 1.00 0.11 0.00 -0.96 0.00 0.00 56.93 57.08 2jor s PHE 78 Cb 0.00 0.31 0.64 0.00 -0.34 0.00 0.00 43.02 43.63 2jor s PHE 78 CO 0.00 -0.82 1.08 0.25 -1.46 0.00 0.00 175.22 174.27