#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 1.26 -0.51 2.02 2.04 -2.12 -3.44 117.51 116.76 2jor h ILE 2 Ca 0.00 -0.99 0.18 0.00 1.00 0.00 0.00 64.86 65.04 2jor h ILE 2 Cb 0.00 1.18 -0.20 0.00 -0.74 0.00 0.00 36.82 37.06 2jor h ILE 2 CO 0.00 0.33 -0.05 -0.62 0.00 0.00 0.00 178.15 177.81 2jor s ASP 3 N -6.15 -0.77 0.54 1.72 -1.08 -1.26 -5.01 116.67 104.66 2jor s ASP 3 Ca -0.13 0.29 0.30 0.00 -0.52 0.00 0.00 52.55 52.49 2jor s ASP 3 Cb 0.09 1.57 1.51 0.00 -1.46 0.00 0.00 42.92 44.64 2jor s ASP 3 CO 0.78 -0.14 2.08 0.78 0.52 0.00 0.00 175.17 179.19 2jor h ASN 4 N 7.78 0.00 -3.88 -0.34 2.35 -2.06 -3.46 115.58 115.97 2jor h ASN 4 Ca -0.12 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.25 2jor h ASN 4 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2jor h ASN 4 CO -0.00 0.10 -0.52 1.21 -1.65 0.00 0.00 177.43 176.56 2jor n GLU 5 N -3.48 -3.01 -3.13 0.81 2.13 -1.26 -3.36 120.64 109.33 2jor n GLU 5 Ca -0.01 0.85 -0.18 0.00 0.66 0.00 0.00 57.16 58.48 2jor n GLU 5 Cb 0.24 -5.58 0.02 0.00 0.27 0.00 0.00 31.44 26.39 2jor n GLU 5 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jor n LYS 6 N -3.38 -2.09 -1.63 5.31 4.76 -1.26 -4.70 118.16 115.17 2jor n LYS 6 Ca -0.16 1.77 -0.47 0.00 -2.87 0.00 0.00 58.31 56.58 2jor n LYS 6 Cb 0.64 -3.66 -0.05 0.00 -1.84 0.00 0.00 35.03 30.12 2jor n LYS 6 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2jor n VAL 7 N 0.07 0.51 0.00 -0.18 0.31 -1.21 -4.93 118.33 112.89 2jor n VAL 7 Ca 0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2jor n VAL 7 Cb 0.50 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2jor n VAL 7 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jor n THR 8 N 5.98 0.00 0.00 2.52 -2.24 -1.26 -5.07 114.28 114.21 2jor n THR 8 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2jor n THR 8 Cb 0.33 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.00 0.00 0.00 3.42 2.88 -1.26 -4.99 113.62 113.67 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 -0.16 3.54 0.46 0.00 -1.26 -5.07 105.19 102.70 2jor n GLY 10 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.75 -0.95 1.61 8.25 -1.26 -4.92 115.22 122.71 2jor n HIS 11 Ca 0.00 -3.00 0.12 0.00 -0.26 0.00 0.00 57.72 54.58 2jor n HIS 11 Cb 0.00 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 28.58 2jor n HIS 11 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2jor n THR 12 N 5.82 0.00 0.00 1.59 -1.04 -1.26 -4.98 114.28 114.41 2jor n THR 12 Ca 0.45 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 2jor n THR 12 Cb 0.45 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 2jor n THR 12 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jor n THR 13 N -2.96 0.00 -3.75 12.58 -1.04 -1.26 -4.96 114.28 112.89 2jor n THR 13 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.98 2jor n THR 13 Cb 0.61 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.10 2jor n THR 13 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jor s THR 14 N -1.38 0.00 -0.17 12.58 2.01 -1.26 -5.03 115.64 122.38 2jor s THR 14 Ca 0.00 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 2jor s THR 14 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2jor s THR 14 CO 0.00 0.00 0.31 0.28 -0.69 0.00 0.00 174.62 174.52 2jor s THR 15 N -3.29 5.29 0.25 -0.82 -1.32 -1.26 -5.08 115.64 109.40 2jor s THR 15 Ca 0.12 0.56 0.10 0.00 -1.21 0.00 0.00 61.69 61.26 2jor s THR 15 Cb -0.01 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 67.29 2jor s THR 15 CO 0.02 0.36 -0.07 0.00 -2.21 0.00 0.00 174.62 172.71 2jor s ARG 16 N 0.69 2.09 0.00 7.08 1.04 -1.26 -4.71 118.95 123.89 2jor s ARG 16 Ca 0.16 -1.46 0.00 0.00 -1.04 0.00 0.00 55.73 53.40 2jor s ARG 16 Cb -0.13 -2.07 0.00 0.00 -2.04 0.00 0.00 34.95 30.70 2jor s ARG 16 CO 0.05 0.37 0.00 -2.13 -0.04 0.00 0.00 175.30 173.55 2jor n ARG 17 N -0.59 0.00 0.00 3.89 0.63 -1.26 -4.88 116.66 114.44 2jor n ARG 17 Ca -0.07 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2jor n ARG 17 Cb 0.58 -2.57 0.00 0.00 0.45 0.00 0.00 32.46 30.92 2jor n ARG 17 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jor n SER 18 N 1.46 0.08 -3.72 6.15 2.88 -1.26 -4.66 113.62 114.56 2jor n SER 18 Ca 0.00 -0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2jor n SER 18 Cb 0.35 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 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 -3.10 6.16 -0.03 0.00 0.01 -1.26 -3.69 113.70 111.80 2jor s SER 20 Ca 0.25 1.51 -0.01 0.00 1.31 0.00 0.00 55.95 59.02 2jor s SER 20 Cb -0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2jor s SER 20 CO 0.13 -1.45 0.04 -0.75 0.41 0.00 0.00 173.24 171.61 2jor s LYS 21 N 5.11 -0.04 -0.16 12.44 2.36 -1.14 -3.93 119.74 134.37 2jor s LYS 21 Ca 0.76 0.24 0.00 0.00 -2.55 0.00 0.00 55.97 54.42 2jor s LYS 21 Cb -0.24 -0.31 0.04 0.00 -1.05 0.00 0.00 37.83 36.26 2jor s LYS 21 CO 0.32 -0.21 -0.09 0.08 1.55 0.00 0.00 175.35 177.00 2jor s VAL 22 N 1.34 1.35 -0.23 4.02 1.01 -1.26 -2.55 120.40 124.07 2jor s VAL 22 Ca -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2jor s VAL 22 Cb -0.13 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.90 2jor s VAL 22 CO -0.03 0.25 -0.07 -0.51 0.00 0.00 0.00 175.10 174.73 2jor s ILE 23 N 1.55 1.68 -0.05 2.22 2.07 -0.62 -4.74 121.20 123.32 2jor s ILE 23 Ca 0.02 -1.27 0.00 0.00 -1.41 0.00 0.00 60.65 57.98 2jor s ILE 23 Cb -0.15 -1.88 0.03 0.00 0.13 0.00 0.00 42.46 40.58 2jor s ILE 23 CO -0.09 -0.04 -0.02 0.42 -1.91 0.00 0.00 174.94 173.31 2jor s THR 24 N 1.33 0.36 -0.29 4.00 -4.23 -1.23 0.45 115.64 116.03 2jor s THR 24 Ca -0.06 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 2jor s THR 24 Cb -0.19 -0.45 0.08 0.00 1.34 0.00 0.00 72.50 73.28 2jor s THR 24 CO -0.06 0.21 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.64 2jor s LYS 25 N 1.25 1.93 -0.16 3.99 1.02 0.57 -4.47 119.74 123.87 2jor s LYS 25 Ca -0.06 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.39 2jor s LYS 25 Cb -0.13 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2jor s LYS 25 CO -0.02 -0.72 -0.16 0.99 -0.92 0.00 0.00 175.35 174.53 2jor s THR 26 N 1.03 2.55 -0.34 2.17 2.01 -1.26 0.17 115.64 121.97 2jor s THR 26 Ca -0.01 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 2jor s THR 26 Cb -0.20 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.25 2jor s THR 26 CO -0.06 0.52 0.16 0.68 -0.69 0.00 0.00 174.62 175.22 2jor s VAL 27 N 0.95 4.41 -0.41 3.82 -7.23 -0.96 -4.80 120.40 116.18 2jor s VAL 27 Ca -0.03 -0.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 2jor s VAL 27 Cb -0.15 -3.37 0.08 0.00 0.56 0.00 0.00 36.38 33.50 2jor s VAL 27 CO -0.03 -0.09 0.23 -0.89 -0.31 0.00 0.00 175.10 174.02 2jor s THR 28 N 1.55 4.08 -0.24 5.32 2.01 -1.26 -2.94 115.64 124.15 2jor s THR 28 Ca 0.03 -1.42 -0.11 0.00 0.31 0.00 0.00 61.69 60.50 2jor s THR 28 Cb -0.18 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2jor s THR 28 CO 0.05 -0.48 0.17 0.21 -0.69 0.00 0.00 174.62 173.89 2jor s ASN 29 N 2.00 6.11 0.10 3.53 3.04 -1.13 -4.93 114.94 123.66 2jor s ASN 29 Ca 0.03 0.11 0.02 0.00 0.04 0.00 0.00 52.86 53.06 2jor s ASN 29 Cb -0.22 -2.11 0.12 0.00 -1.54 0.00 0.00 41.25 37.50 2jor s ASN 29 CO 0.02 0.05 0.79 0.00 -3.04 0.00 0.00 177.10 174.92 2jor n ALA 30 N 4.38 0.35 0.73 1.71 0.00 -1.26 -0.15 120.51 126.27 2jor n ALA 30 Ca -0.15 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.40 2jor n ALA 30 Cb 0.52 -0.38 0.41 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.40 0.00 0.00 0.00 2.03 -1.26 -4.81 116.55 111.11 2jor n ASP 31 Ca -0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2jor n ASP 31 Cb 0.38 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.23 1.07 3.91 0.27 0.00 0.79 -5.10 105.19 106.37 2jor n GLY 32 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.75 3.61 -0.29 1.61 0.52 -1.14 -4.99 118.95 117.51 2jor s ARG 33 Ca 0.00 -0.09 -0.03 0.00 -0.52 0.00 0.00 55.73 55.09 2jor s ARG 33 Cb 0.00 -2.72 0.17 0.00 0.52 0.00 0.00 34.95 32.92 2jor s ARG 33 CO 0.00 0.29 0.59 0.99 0.02 0.00 0.00 175.30 177.19 2jor s THR 34 N -1.98 -0.96 0.17 0.02 2.01 -1.26 -2.83 115.64 110.81 2jor s THR 34 Ca 0.42 -0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.53 2jor s THR 34 Cb -0.11 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2jor s THR 34 CO 0.29 -0.01 -0.24 -0.70 -0.69 0.00 0.00 174.62 173.27 2jor s GLU 35 N 2.84 1.53 -0.21 4.92 2.12 -1.15 -4.99 118.70 123.76 2jor s GLU 35 Ca 0.14 -1.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.03 2jor s GLU 35 Cb -0.14 -1.90 0.06 0.00 0.26 0.00 0.00 34.13 32.41 2jor s GLU 35 CO -0.20 0.42 -0.02 0.95 -0.54 0.00 0.00 175.26 175.87 2jor s THR 36 N -1.47 1.10 -0.34 -1.70 -4.23 -1.26 -2.26 115.64 105.48 2jor s THR 36 Ca 0.19 -0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 2jor s THR 36 Cb -0.09 -1.43 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 2jor s THR 36 CO 0.09 -0.10 0.22 0.42 -0.54 0.00 0.00 174.62 174.71 2jor s THR 37 N 1.60 5.01 0.11 3.99 -4.23 0.45 -4.91 115.64 117.66 2jor s THR 37 Ca -0.03 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2jor s THR 37 Cb -0.18 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.04 2jor s THR 37 CO -0.07 -0.05 0.00 0.29 -0.54 0.00 0.00 174.62 174.25 2jor n LYS 38 N 5.07 -0.71 0.00 3.99 4.76 -1.26 0.21 118.16 130.22 2jor n LYS 38 Ca -0.13 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2jor n LYS 38 Cb 0.49 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 2jor n LYS 38 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2jor n GLU 39 N -2.79 0.00 -4.51 1.97 0.28 0.17 -4.23 120.64 111.53 2jor n GLU 39 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.65 2jor n GLU 39 Cb 0.15 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.91 2jor n GLU 39 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2jor s VAL 40 N 1.32 3.81 -0.23 3.84 -7.23 -1.26 -1.59 120.40 119.07 2jor s VAL 40 Ca 0.00 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 2jor s VAL 40 Cb 0.00 -2.61 0.07 0.00 0.56 0.00 0.00 36.38 34.40 2jor s VAL 40 CO 0.00 0.55 0.04 -0.69 -0.31 0.00 0.00 175.10 174.69 2jor s VAL 41 N -0.27 0.73 -0.20 1.32 1.01 -1.06 -4.97 120.40 116.96 2jor s VAL 41 Ca 0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2jor s VAL 41 Cb -0.13 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2jor s VAL 41 CO 0.02 -0.33 -0.08 -0.54 0.00 0.00 0.00 175.10 174.18 2jor s LYS 42 N 1.74 3.33 1.08 2.72 1.02 -1.26 -2.88 119.74 125.50 2jor s LYS 42 Ca 0.01 -0.66 -0.17 0.00 0.02 0.00 0.00 55.97 55.17 2jor s LYS 42 Cb -0.17 -2.89 0.24 0.00 -0.52 0.00 0.00 37.83 34.48 2jor s LYS 42 CO -0.13 -0.13 1.20 0.45 -0.92 0.00 0.00 175.35 175.82 2jor s SER 43 N 1.26 2.01 0.87 2.83 0.15 -1.24 -4.93 113.70 114.65 2jor s SER 43 Ca 0.03 0.52 -0.11 0.00 0.70 0.00 0.00 55.95 57.09 2jor s SER 43 Cb -0.14 -0.71 0.11 0.00 -1.71 0.00 0.00 66.02 63.57 2jor s SER 43 CO -0.03 -3.44 1.11 -0.70 1.20 0.00 0.00 173.24 171.38 2jor s GLU 44 N -5.59 1.45 -0.32 5.44 -6.30 -1.26 -4.90 118.70 107.22 2jor s GLU 44 Ca 0.71 1.28 -0.14 0.00 -2.50 0.00 0.00 54.97 54.32 2jor s GLU 44 Cb -0.08 -1.80 -0.02 0.00 0.00 0.00 0.00 34.13 32.23 2jor s GLU 44 CO 0.55 -2.24 0.31 0.34 0.02 0.00 0.00 175.26 174.23 2jor s ASP 45 N -3.04 6.14 0.00 -1.70 2.15 -1.26 -4.51 116.67 114.44 2jor s ASP 45 Ca 0.64 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.46 2jor s ASP 45 Cb -0.20 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2jor s ASP 45 CO 0.57 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.94 2jor n GLY 46 N 4.96 0.42 0.00 2.66 0.00 -1.26 -5.14 105.19 106.83 2jor n GLY 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2jor n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jor n SER 47 N 0.00 0.00 -3.99 1.61 2.88 -1.26 -5.07 113.62 107.78 2jor n SER 47 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2jor n SER 47 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2jor n SER 47 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jor s ASP 48 N 1.00 4.57 0.01 -3.46 2.15 -1.26 -5.04 116.67 114.63 2jor s ASP 48 Ca 0.00 -2.77 0.00 0.00 0.43 0.00 0.00 52.55 50.21 2jor s ASP 48 Cb 0.00 -1.67 -0.01 0.00 -0.30 0.00 0.00 42.92 40.94 2jor s ASP 48 CO 0.00 -0.29 -0.01 0.00 -0.17 0.00 0.00 175.17 174.70 2jor n GLY 50 N 2.64 0.46 0.30 0.00 0.00 -1.22 -3.80 105.19 103.57 2jor n GLY 50 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2jor n GLY 50 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jor h ASP 51 N 0.00 0.95 0.00 1.61 3.04 -1.77 2.49 116.42 122.74 2jor h ASP 51 Ca 0.00 -0.24 -0.10 0.00 -3.24 0.00 0.00 57.03 53.45 2jor h ASP 51 Cb 0.00 -0.25 -0.14 0.00 -1.04 0.00 0.00 39.33 37.90 2jor h ASP 51 CO 0.00 0.98 -0.39 0.00 -2.04 0.00 0.00 179.24 177.79 2jor n ALA 52 N -2.47 2.97 -2.00 4.15 0.00 -1.26 -4.50 120.51 117.39 2jor n ALA 52 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2jor n ALA 52 Cb 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 0.10 0.00 -1.11 0.00 -0.08 -1.26 -4.91 116.55 109.29 2jor n ASP 53 Ca -0.13 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.28 2jor n ASP 53 Cb 0.75 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.16 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 0.00 -2.55 -3.60 -0.67 7.35 -1.26 -3.44 117.46 113.28 2jor n PHE 54 Ca 0.00 1.32 0.00 0.00 -0.76 0.00 0.00 57.45 58.01 2jor n PHE 54 Cb 0.00 -2.32 -0.01 0.00 0.35 0.00 0.00 39.48 37.50 2jor n PHE 54 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jor s ASP 55 N -5.69 -0.02 -0.07 -2.13 2.15 -1.25 -4.52 116.67 105.13 2jor s ASP 55 Ca 0.00 -0.01 -0.01 0.00 0.43 0.00 0.00 52.55 52.96 2jor s ASP 55 Cb 0.00 0.03 -0.00 0.00 -0.30 0.00 0.00 42.92 42.65 2jor s ASP 55 CO 0.00 -0.05 -0.01 -0.25 -0.17 0.00 0.00 175.17 174.68 2jor h TRP 56 N 2.00 0.00 -1.54 -5.34 2.91 -1.88 -3.46 115.95 108.63 2jor h TRP 56 Ca -0.18 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.69 2jor h TRP 56 Cb 1.16 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.75 2jor h TRP 56 CO 0.30 0.00 -0.14 -2.39 -1.03 0.00 0.00 178.44 175.18 2jor n HIS 57 N -3.96 -0.59 -0.46 2.65 -0.00 -1.26 -4.65 115.22 106.94 2jor n HIS 57 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jor n HIS 57 Cb 0.02 -1.89 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 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 -1.48 -0.05 0.00 -1.40 -0.00 -1.20 -4.72 115.22 106.37 2jor n HIS 58 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 2jor n HIS 58 Cb 0.26 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2jor n HIS 58 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 2jor n THR 59 N 0.00 0.00 -3.46 3.57 -2.24 -1.26 -4.68 114.28 106.21 2jor n THR 59 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2jor n THR 59 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2jor n THR 59 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2jor s PHE 60 N -0.43 3.55 0.05 4.78 0.40 -1.26 -4.49 117.98 120.57 2jor s PHE 60 Ca 0.00 0.79 -0.27 0.00 -0.60 0.00 0.00 56.93 56.84 2jor s PHE 60 Cb 0.00 -2.39 -0.17 0.00 0.51 0.00 0.00 43.02 40.97 2jor s PHE 60 CO 0.00 0.33 1.48 -1.00 0.70 0.00 0.00 175.22 176.72 2jor h PRO 61 N 6.17 -0.47 0.00 0.24 0.13 -1.83 -3.29 132.00 132.95 2jor h PRO 61 Ca -0.44 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2jor h PRO 61 Cb 1.18 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jor h PRO 61 CO 0.72 -0.22 0.00 -1.13 -0.23 0.00 0.00 178.00 177.14 2jor n SER 62 N -5.23 0.00 -3.88 1.44 3.41 -1.26 -2.81 113.62 105.28 2jor n SER 62 Ca -0.10 0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 2jor n SER 62 Cb 0.25 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 2jor n SER 62 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jor n ARG 63 N -0.17 1.17 0.00 4.33 3.00 -1.26 -4.66 116.66 119.08 2jor n ARG 63 Ca 0.00 -1.83 0.00 0.00 -0.00 0.00 0.00 57.85 56.02 2jor n ARG 63 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 32.46 29.36 2jor n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jor n GLY 64 N 5.00 3.71 2.45 5.14 0.00 -1.12 -4.64 105.19 115.73 2jor n GLY 64 Ca 0.48 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -1.22 -2.79 1.61 2.85 -1.26 -4.66 115.26 109.79 2jor n ASN 65 Ca 0.00 -2.73 -0.10 0.00 -0.11 0.00 0.00 54.58 51.64 2jor n ASN 65 Cb 0.00 0.24 0.05 0.00 1.24 0.00 0.00 39.78 41.31 2jor n ASN 65 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2jor n LEU 66 N 2.20 -2.37 -4.20 1.20 7.94 -1.26 -5.08 117.00 115.44 2jor n LEU 66 Ca 0.21 -3.61 -0.41 0.00 -1.11 0.00 0.00 56.01 51.10 2jor n LEU 66 Cb 0.54 0.86 -0.07 0.00 0.53 0.00 0.00 43.42 45.27 2jor n LEU 66 CO 0.09 2.05 0.10 -0.62 -1.11 0.00 0.00 177.39 177.90 2jor s ASP 67 N -1.54 5.80 0.00 1.96 2.15 -1.26 -3.21 116.67 120.56 2jor s ASP 67 Ca 0.29 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.86 2jor s ASP 67 Cb 0.25 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 2jor s ASP 67 CO -0.16 -0.56 0.00 0.47 -0.17 0.00 0.00 175.17 174.75 2jor n ASP 68 N 4.21 0.00 0.00 -0.34 8.00 -1.26 -5.08 116.55 122.08 2jor n ASP 68 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2jor n ASP 68 Cb 0.41 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2jor n ASP 68 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2jor n PHE 69 N -2.34 0.00 -0.08 1.24 7.35 -1.26 -5.04 117.46 117.33 2jor n PHE 69 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 2jor n PHE 69 Cb 0.00 0.00 0.05 0.00 0.35 0.00 0.00 39.48 39.88 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 -1.77 -4.36 -5.13 7.35 -1.26 -4.93 117.46 107.36 2jor n PHE 70 Ca 0.00 -0.08 -0.19 0.00 -0.76 0.00 0.00 57.45 56.42 2jor n PHE 70 Cb 0.00 -0.28 -0.10 0.00 0.35 0.00 0.00 39.48 39.45 2jor n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2jor s HIS 71 N -1.00 1.70 -0.07 -5.13 3.76 -1.26 -4.59 115.29 108.71 2jor s HIS 71 Ca 0.10 -0.76 -0.31 0.00 -0.15 0.00 0.00 55.06 53.94 2jor s HIS 71 Cb -0.02 -0.94 0.08 0.00 1.11 0.00 0.00 32.58 32.81 2jor s HIS 71 CO 0.09 0.16 0.74 1.03 -0.85 0.00 0.00 174.74 175.91 2jor s ARG 72 N -3.76 0.97 -0.36 1.40 1.81 -1.26 -4.84 118.95 112.91 2jor s ARG 72 Ca 0.27 0.23 0.13 0.00 -1.72 0.00 0.00 55.73 54.64 2jor s ARG 72 Cb 0.04 0.46 0.42 0.00 -0.45 0.00 0.00 34.95 35.42 2jor s ARG 72 CO 0.09 -0.30 1.24 -0.25 -0.68 0.00 0.00 175.30 175.40 2jor n ASP 73 N 0.86 -0.55 -3.97 0.23 9.92 -1.13 -4.28 116.55 117.64 2jor n ASP 73 Ca -0.17 -2.46 -0.09 0.00 -0.53 0.00 0.00 54.79 51.54 2jor n ASP 73 Cb 0.57 0.38 -0.10 0.00 -0.64 0.00 0.00 41.12 41.34 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 -1.15 0.56 0.12 -1.24 2.20 0.84 -4.77 119.74 116.30 2jor s LYS 74 Ca 0.22 -0.84 -0.35 0.00 -0.36 0.00 0.00 55.97 54.64 2jor s LYS 74 Cb 0.42 0.21 -0.16 0.00 -1.51 0.00 0.00 37.83 36.79 2jor s LYS 74 CO -0.05 -0.13 1.38 -0.25 -0.36 0.00 0.00 175.35 175.94 2jor n ASP 75 N 0.73 2.01 -0.89 1.43 9.92 -1.26 -2.37 116.55 126.11 2jor n ASP 75 Ca -0.19 1.11 0.04 0.00 -0.53 0.00 0.00 54.79 55.22 2jor n ASP 75 Cb 0.59 -1.26 0.16 0.00 -0.64 0.00 0.00 41.12 39.96 2jor n ASP 75 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2jor n ASP 76 N 2.66 2.48 0.00 -2.24 5.68 -1.25 -4.87 116.55 119.02 2jor n ASP 76 Ca 0.17 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2jor n ASP 76 Cb 0.23 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 2jor n ASP 76 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2jor n PHE 77 N 0.30 0.00 -1.09 2.11 3.72 -1.26 -4.57 117.46 116.68 2jor n PHE 77 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2jor n PHE 77 Cb 0.50 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2jor n PHE 77 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2jor n PHE 78 N 14.00 0.00 0.00 1.38 1.16 -1.26 -5.00 117.46 127.74 2jor n PHE 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2jor n PHE 78 Cb 0.00 0.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.88 2jor n PHE 78 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30