#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 -3.95 2.02 1.08 -2.11 -3.43 117.51 112.39 2jor h ILE 2 Ca 0.00 -1.21 -0.50 0.00 -0.39 0.00 0.00 64.86 62.76 2jor h ILE 2 Cb 0.00 0.96 0.05 0.00 -3.07 0.00 0.00 36.82 34.75 2jor h ILE 2 CO 0.00 0.43 0.48 -0.62 -0.69 0.00 0.00 178.15 177.75 2jor s ASP 3 N -6.65 6.54 0.39 1.72 -1.08 -1.26 -5.00 116.67 111.32 2jor s ASP 3 Ca -0.11 2.27 -0.23 0.00 -0.52 0.00 0.00 52.55 53.96 2jor s ASP 3 Cb 0.13 -2.61 -0.10 0.00 -1.46 0.00 0.00 42.92 38.89 2jor s ASP 3 CO 0.85 -0.66 0.96 0.21 0.52 0.00 0.00 175.17 177.05 2jor s ASN 4 N -1.26 7.05 -0.16 -0.34 2.47 -1.26 -5.05 114.94 116.40 2jor s ASN 4 Ca 0.58 1.78 -0.04 0.00 0.42 0.00 0.00 52.86 55.60 2jor s ASN 4 Cb -0.28 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 36.92 2jor s ASN 4 CO 0.36 -0.28 -0.01 -1.61 -3.72 0.00 0.00 177.10 171.84 2jor s GLU 5 N -2.69 3.71 3.48 0.43 8.01 -1.26 -4.99 118.70 125.38 2jor s GLU 5 Ca 0.57 -0.47 0.00 0.00 0.01 0.00 0.00 54.97 55.08 2jor s GLU 5 Cb -0.14 -2.98 0.00 0.00 -4.31 0.00 0.00 34.13 26.70 2jor s GLU 5 CO 0.19 0.28 0.00 1.63 0.01 0.00 0.00 175.26 177.37 2jor n LYS 6 N 3.44 0.00 -3.58 1.61 4.76 -1.26 -4.77 118.16 118.35 2jor n LYS 6 Ca -0.17 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.13 2jor n LYS 6 Cb 0.52 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.65 2jor n LYS 6 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jor s VAL 7 N 0.00 0.00 -0.20 -0.18 0.11 -1.26 -5.18 120.40 113.69 2jor s VAL 7 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2jor s VAL 7 Cb 0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 2jor s VAL 7 CO 0.00 0.00 1.09 0.28 -3.33 0.00 0.00 175.10 173.14 2jor s THR 8 N -0.54 0.00 0.00 5.04 -1.32 -1.26 -5.15 115.64 112.41 2jor s THR 8 Ca -0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 2jor s THR 8 Cb -0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2jor s THR 8 CO 0.03 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.20 2jor n SER 9 N 0.84 0.00 -2.15 8.08 2.88 -1.26 -4.93 113.62 117.08 2jor n SER 9 Ca -0.08 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2jor n SER 9 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 1.96 -0.73 3.77 0.46 0.00 -1.26 -4.98 105.19 104.41 2jor n GLY 10 Ca 0.00 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2jor n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jor s HIS 11 N -2.83 2.68 -0.44 1.61 0.09 -1.26 -5.00 115.29 110.15 2jor s HIS 11 Ca 0.01 1.55 0.03 0.00 -0.00 0.00 0.00 55.06 56.65 2jor s HIS 11 Cb -0.00 -3.25 0.25 0.00 -0.00 0.00 0.00 32.58 29.58 2jor s HIS 11 CO 0.32 -1.56 1.00 2.41 -0.00 0.00 0.00 174.74 176.91 2jor n THR 12 N -1.55 0.00 -2.76 1.30 -1.04 -1.26 -5.12 114.28 103.85 2jor n THR 12 Ca 0.11 -1.21 -0.43 0.00 -2.04 0.00 0.00 64.05 60.48 2jor n THR 12 Cb 0.51 1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 70.34 2jor n THR 12 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2jor s THR 13 N 0.52 4.65 0.30 12.58 -4.23 -1.26 -5.02 115.64 123.18 2jor s THR 13 Ca 0.30 1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 62.10 2jor s THR 13 Cb 0.22 -4.29 -0.09 0.00 1.34 0.00 0.00 72.50 69.67 2jor s THR 13 CO -0.19 -0.34 1.05 -0.89 -0.54 0.00 0.00 174.62 173.71 2jor s THR 14 N 3.30 3.68 -0.13 3.99 2.01 -1.26 -5.04 115.64 122.19 2jor s THR 14 Ca 0.40 1.58 -0.06 0.00 0.31 0.00 0.00 61.69 63.92 2jor s THR 14 Cb -0.13 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.46 2jor s THR 14 CO 0.13 0.30 0.31 -0.89 -0.69 0.00 0.00 174.62 173.77 2jor s THR 15 N -1.30 -0.11 -0.03 -0.82 2.01 -1.26 -5.16 115.64 108.98 2jor s THR 15 Ca 0.47 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.50 2jor s THR 15 Cb -0.28 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.78 2jor s THR 15 CO 0.36 0.06 0.26 -0.13 -0.69 0.00 0.00 174.62 174.48 2jor s ARG 16 N 1.50 0.54 0.00 4.92 0.52 -1.26 -4.86 118.95 120.31 2jor s ARG 16 Ca -0.08 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 2jor s ARG 16 Cb -0.10 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.61 2jor s ARG 16 CO -0.10 -0.13 0.00 -2.13 0.02 0.00 0.00 175.30 172.96 2jor n ARG 17 N 1.71 0.00 0.00 3.54 0.63 -1.26 -4.83 116.66 116.46 2jor n ARG 17 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 2jor n ARG 17 Cb 0.56 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.97 2jor n ARG 17 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jor n SER 18 N 1.44 0.00 -4.24 6.15 7.64 -1.26 -4.37 113.62 118.98 2jor n SER 18 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2jor n SER 18 Cb 0.39 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 2jor n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jor s SER 20 N -1.84 6.03 -0.12 0.00 0.15 -1.26 -4.42 113.70 112.24 2jor s SER 20 Ca 0.03 2.09 -0.01 0.00 0.70 0.00 0.00 55.95 58.77 2jor s SER 20 Cb -0.10 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2jor s SER 20 CO 0.04 -1.47 -0.04 -0.54 1.20 0.00 0.00 173.24 172.42 2jor s LYS 21 N 5.27 1.22 -0.22 5.44 -0.14 -1.17 -4.36 119.74 125.78 2jor s LYS 21 Ca 0.89 -0.25 0.01 0.00 -1.36 0.00 0.00 55.97 55.27 2jor s LYS 21 Cb -0.34 -1.59 0.05 0.00 -1.68 0.00 0.00 37.83 34.27 2jor s LYS 21 CO 0.36 -0.35 -0.09 0.08 -0.76 0.00 0.00 175.35 174.59 2jor s VAL 22 N 1.76 1.74 -0.22 3.17 1.01 -1.26 -1.62 120.40 124.98 2jor s VAL 22 Ca 0.03 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.82 2jor s VAL 22 Cb -0.13 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.43 2jor s VAL 22 CO -0.07 0.06 -0.08 -0.63 0.00 0.00 0.00 175.10 174.38 2jor s ILE 23 N 1.33 1.65 -0.16 2.22 1.09 0.70 -4.93 121.20 123.10 2jor s ILE 23 Ca -0.04 -1.16 -0.02 0.00 -1.10 0.00 0.00 60.65 58.33 2jor s ILE 23 Cb -0.18 -1.81 0.05 0.00 -1.06 0.00 0.00 42.46 39.46 2jor s ILE 23 CO -0.07 0.03 0.01 0.28 -0.10 0.00 0.00 174.94 175.09 2jor s THR 24 N 1.37 0.63 -0.30 2.92 -1.32 -1.23 0.24 115.64 117.95 2jor s THR 24 Ca -0.04 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.06 2jor s THR 24 Cb -0.18 -0.97 0.08 0.00 -1.51 0.00 0.00 72.50 69.92 2jor s THR 24 CO -0.07 -0.01 -0.02 -0.75 -2.21 0.00 0.00 174.62 171.55 2jor s LYS 25 N 1.83 1.80 -0.06 7.08 2.47 0.16 -4.20 119.74 128.82 2jor s LYS 25 Ca 0.01 -1.57 0.06 0.00 -1.56 0.00 0.00 55.97 52.91 2jor s LYS 25 Cb -0.15 -2.99 -0.01 0.00 -1.46 0.00 0.00 37.83 33.21 2jor s LYS 25 CO -0.07 -0.76 -0.24 0.99 0.16 0.00 0.00 175.35 175.43 2jor s THR 26 N 1.04 2.11 -0.31 3.43 2.01 -1.26 0.10 115.64 122.77 2jor s THR 26 Ca 0.01 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2jor s THR 26 Cb -0.19 -1.77 0.07 0.00 0.01 0.00 0.00 72.50 70.62 2jor s THR 26 CO -0.07 0.57 0.00 0.54 -0.69 0.00 0.00 174.62 174.97 2jor s VAL 27 N -0.17 2.56 -0.49 3.82 0.11 -0.83 -4.08 120.40 121.32 2jor s VAL 27 Ca -0.03 -1.80 -0.22 0.00 -2.93 0.00 0.00 61.98 56.99 2jor s VAL 27 Cb -0.14 -2.63 0.04 0.00 -1.53 0.00 0.00 36.38 32.12 2jor s VAL 27 CO 0.04 -0.28 0.77 -0.89 -3.33 0.00 0.00 175.10 171.40 2jor s THR 28 N 1.10 4.66 -0.28 5.04 2.01 -1.26 -2.94 115.64 123.96 2jor s THR 28 Ca -0.01 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 2jor s THR 28 Cb -0.20 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 2jor s THR 28 CO -0.05 -0.82 0.40 0.20 -0.69 0.00 0.00 174.62 173.66 2jor s ASN 29 N 2.42 6.27 0.03 3.53 -0.87 -0.45 -4.91 114.94 120.96 2jor s ASN 29 Ca 0.25 0.24 0.01 0.00 -1.57 0.00 0.00 52.86 51.79 2jor s ASN 29 Cb -0.14 -2.22 0.04 0.00 -0.02 0.00 0.00 41.25 38.90 2jor s ASN 29 CO 0.19 -0.24 0.72 0.00 -2.57 0.00 0.00 177.10 175.20 2jor n ALA 30 N 5.40 0.37 0.63 0.60 0.00 -1.26 -0.68 120.51 125.58 2jor n ALA 30 Ca -0.08 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.44 2jor n ALA 30 Cb 0.50 -0.38 0.34 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.25 0.00 0.00 0.00 2.03 -1.26 -4.80 116.55 111.28 2jor n ASP 31 Ca -0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2jor n ASP 31 Cb 0.33 -0.33 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 -0.08 1.11 3.17 0.27 0.00 0.15 -5.10 105.19 104.71 2jor n GLY 32 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.70 0.83 -0.09 1.61 1.70 -1.15 -5.04 118.95 116.11 2jor s ARG 33 Ca 0.00 -1.09 -0.22 0.00 -0.47 0.00 0.00 55.73 53.95 2jor s ARG 33 Cb 0.00 -0.60 0.05 0.00 -0.57 0.00 0.00 34.95 33.83 2jor s ARG 33 CO 0.00 0.11 0.52 -0.08 -1.08 0.00 0.00 175.30 174.77 2jor s THR 34 N -2.07 0.02 0.14 4.99 -1.32 -1.26 -1.35 115.64 114.79 2jor s THR 34 Ca 0.03 -0.15 0.11 0.00 -1.21 0.00 0.00 61.69 60.47 2jor s THR 34 Cb -0.05 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 2jor s THR 34 CO 0.01 -0.08 -0.24 -1.61 -2.21 0.00 0.00 174.62 170.48 2jor s GLU 35 N -0.75 1.50 -0.23 7.08 2.02 -1.15 -4.97 118.70 122.20 2jor s GLU 35 Ca -0.08 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 53.56 2jor s GLU 35 Cb -0.03 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 32.33 2jor s GLU 35 CO 0.05 0.44 -0.09 0.95 0.02 0.00 0.00 175.26 176.64 2jor s THR 36 N -1.22 1.74 -0.37 3.63 -4.23 -1.26 -1.96 115.64 111.96 2jor s THR 36 Ca 0.16 -1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2jor s THR 36 Cb -0.10 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.86 2jor s THR 36 CO 0.08 0.02 0.24 0.42 -0.54 0.00 0.00 174.62 174.83 2jor s THR 37 N 1.32 4.93 0.17 3.99 -4.23 0.29 -4.93 115.64 117.18 2jor s THR 37 Ca -0.05 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 2jor s THR 37 Cb -0.18 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2jor s THR 37 CO -0.07 -0.19 0.00 0.29 -0.54 0.00 0.00 174.62 174.11 2jor n LYS 38 N 5.07 -1.00 0.00 3.99 4.76 -1.26 0.40 118.16 130.12 2jor n LYS 38 Ca -0.12 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2jor n LYS 38 Cb 0.47 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 2jor n LYS 38 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jor n GLU 39 N -2.94 0.00 -4.71 1.97 1.02 0.66 -4.07 120.64 112.57 2jor n GLU 39 Ca -0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 2jor n GLU 39 Cb 0.21 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.51 2jor n GLU 39 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jor s VAL 40 N 2.51 3.42 -0.27 2.62 1.01 -1.26 -0.22 120.40 128.21 2jor s VAL 40 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2jor s VAL 40 Cb 0.00 -2.40 0.08 0.00 0.00 0.00 0.00 36.38 34.06 2jor s VAL 40 CO 0.00 0.57 0.03 -0.69 0.00 0.00 0.00 175.10 175.01 2jor s VAL 41 N -0.47 1.32 0.64 2.92 1.01 -0.64 -4.96 120.40 120.22 2jor s VAL 41 Ca 0.07 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 2jor s VAL 41 Cb -0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2jor s VAL 41 CO 0.02 -0.40 1.12 -1.59 0.00 0.00 0.00 175.10 174.25 2jor s LYS 42 N 1.44 2.86 -0.07 2.72 -2.85 -1.26 -3.06 119.74 119.52 2jor s LYS 42 Ca 0.03 1.48 0.05 0.00 -1.00 0.00 0.00 55.97 56.53 2jor s LYS 42 Cb -0.18 -1.95 -0.01 0.00 -2.06 0.00 0.00 37.83 33.62 2jor s LYS 42 CO -0.13 -1.22 -0.22 0.45 0.10 0.00 0.00 175.35 174.33 2jor s SER 43 N -2.35 3.35 0.31 0.03 0.15 -1.26 -4.05 113.70 109.88 2jor s SER 43 Ca 0.69 -0.44 0.10 0.00 0.70 0.00 0.00 55.95 57.00 2jor s SER 43 Cb -0.22 -0.98 0.49 0.00 -1.71 0.00 0.00 66.02 63.60 2jor s SER 43 CO 0.39 0.24 1.70 -0.33 1.20 0.00 0.00 173.24 176.44 2jor h GLU 44 N 6.08 0.06 -5.68 5.44 5.08 -1.84 -3.47 114.58 120.25 2jor h GLU 44 Ca -0.32 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 57.72 2jor h GLU 44 Cb 1.18 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.58 2jor h GLU 44 CO 0.49 0.55 -0.81 -3.47 -1.00 0.00 0.00 179.01 174.76 2jor n ASP 45 N -3.95 -6.37 -1.45 1.42 2.03 -1.26 -4.86 116.55 102.11 2jor n ASP 45 Ca -0.02 -0.74 -0.04 0.00 0.52 0.00 0.00 54.79 54.51 2jor n ASP 45 Cb 0.52 -4.67 0.17 0.00 -0.72 0.00 0.00 41.12 36.42 2jor n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jor n GLY 46 N -1.41 2.79 0.00 0.27 0.00 -1.26 -4.77 105.19 100.81 2jor n GLY 46 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2jor n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jor n SER 47 N 0.01 0.00 -3.65 1.61 3.41 -1.26 -5.15 113.62 108.59 2jor n SER 47 Ca 0.23 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.85 2jor n SER 47 Cb 0.94 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.83 2jor n SER 47 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2jor s ASP 48 N 2.00 -0.10 0.05 4.04 1.47 -1.26 -5.08 116.67 117.79 2jor s ASP 48 Ca 0.00 0.16 0.01 0.00 1.18 0.00 0.00 52.55 53.90 2jor s ASP 48 Cb 0.00 0.82 -0.03 0.00 -0.34 0.00 0.00 42.92 43.37 2jor s ASP 48 CO 0.00 -0.03 -0.06 0.00 0.68 0.00 0.00 175.17 175.77 2jor n GLY 50 N 1.01 -0.41 4.12 0.00 0.00 -1.26 0.28 105.19 108.93 2jor n GLY 50 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.60 0.00 0.00 1.61 2.03 -1.26 -2.76 116.55 113.57 2jor n ASP 51 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2jor n ASP 51 Cb 0.49 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2jor n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jor n ALA 52 N 0.45 0.00 0.00 -1.67 0.00 0.78 -4.89 120.51 115.18 2jor n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jor n ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jor n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jor n ASP 53 N 0.00 0.00 -0.25 0.00 5.68 -0.56 -4.48 116.55 116.93 2jor n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jor n ASP 53 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2jor n ASP 53 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2jor n PHE 54 N 0.00 0.00 -1.60 2.11 -1.74 -1.26 -4.61 117.46 110.37 2jor n PHE 54 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2jor n PHE 54 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2jor n PHE 54 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 2jor n ASP 55 N 0.00 -8.63 -0.00 5.98 2.03 -1.26 -5.03 116.55 109.64 2jor n ASP 55 Ca 0.00 1.25 0.00 0.00 0.52 0.00 0.00 54.79 56.56 2jor n ASP 55 Cb 0.00 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 35.59 2jor n ASP 55 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2jor n TRP 56 N -0.86 0.00 -0.02 -0.67 8.01 -1.26 -4.97 117.44 117.67 2jor n TRP 56 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2jor n TRP 56 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 2jor n TRP 56 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 2jor n HIS 57 N 0.00 -1.66 -1.43 -5.99 -0.00 -1.24 -4.83 115.22 100.07 2jor n HIS 57 Ca 0.00 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.36 2jor n HIS 57 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 2jor n HIS 57 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jor n HIS 58 N -0.83 -3.71 -2.03 1.57 -0.00 -1.26 -4.96 115.22 104.00 2jor n HIS 58 Ca 0.00 2.00 -0.03 0.00 -0.00 0.00 0.00 57.72 59.68 2jor n HIS 58 Cb 0.00 -3.38 0.01 0.00 -0.00 0.00 0.00 29.99 26.63 2jor n HIS 58 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2jor n THR 59 N -4.28 -3.68 -2.13 3.57 -1.04 -1.26 -4.95 114.28 100.51 2jor n THR 59 Ca -0.06 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.21 2jor n THR 59 Cb 0.68 -4.27 -0.03 0.00 -1.82 0.00 0.00 70.33 64.89 2jor n THR 59 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2jor s PHE 60 N -3.08 2.16 -1.12 -1.42 0.08 -1.26 -4.76 117.98 108.57 2jor s PHE 60 Ca 0.10 0.53 0.00 0.00 0.12 0.00 0.00 56.93 57.68 2jor s PHE 60 Cb -0.01 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.51 2jor s PHE 60 CO 0.23 -2.97 0.15 -0.35 -0.10 0.00 0.00 175.22 172.19 2jor n PRO 61 N 7.47 0.27 0.00 0.24 -0.04 -1.26 -4.67 135.00 137.01 2jor n PRO 61 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2jor n PRO 61 Cb 0.45 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2jor n PRO 61 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jor n SER 62 N 0.26 0.00 0.12 3.54 3.41 -1.26 -4.00 113.62 115.69 2jor n SER 62 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2jor n SER 62 Cb 0.06 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.41 2jor n SER 62 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2jor h ARG 63 N 1.00 0.00 -0.23 4.33 2.43 -1.89 -3.50 114.38 116.51 2jor h ARG 63 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2jor h ARG 63 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2jor h ARG 63 CO 0.00 0.00 -0.08 0.41 -1.51 0.00 0.00 179.97 178.79 2jor n GLY 64 N 1.12 -2.57 2.65 2.80 0.00 -1.26 -5.03 105.19 102.90 2jor n GLY 64 Ca 0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.22 -2.95 -4.55 1.61 5.15 -1.26 -4.87 115.26 106.17 2jor n ASN 65 Ca -0.01 1.32 -0.43 0.00 -0.60 0.00 0.00 54.58 54.87 2jor n ASN 65 Cb 0.05 -4.33 -0.06 0.00 -0.53 0.00 0.00 39.78 34.90 2jor n ASN 65 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2jor s LEU 66 N -0.49 4.31 -0.75 1.20 2.96 -1.26 -4.94 118.68 119.71 2jor s LEU 66 Ca -0.19 -0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.41 2jor s LEU 66 Cb 0.01 -2.86 -0.28 0.00 0.50 0.00 0.00 46.19 43.57 2jor s LEU 66 CO 0.50 -0.77 1.94 0.47 -1.32 0.00 0.00 176.35 177.17 2jor n ASP 67 N 6.37 1.17 0.00 3.68 8.00 -1.26 -4.52 116.55 129.99 2jor n ASP 67 Ca 0.00 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.04 2jor n ASP 67 Cb 0.48 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2jor n ASP 67 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jor n ASP 68 N 16.58 0.89 -0.08 -2.24 8.00 -1.26 -5.08 116.55 133.36 2jor n ASP 68 Ca 0.42 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2jor n ASP 68 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2jor n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jor n PHE 69 N 0.00 -0.07 -2.69 1.24 3.72 -1.26 -5.04 117.46 113.36 2jor n PHE 69 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2jor n PHE 69 Cb 0.00 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.00 -1.23 -2.69 1.38 7.35 -1.26 -3.65 117.46 117.36 2jor n PHE 70 Ca 0.00 -1.06 -0.04 0.00 -0.76 0.00 0.00 57.45 55.59 2jor n PHE 70 Cb 0.00 1.26 0.05 0.00 0.35 0.00 0.00 39.48 41.14 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 1.04 -1.37 -2.78 -5.13 -0.00 -1.26 -5.08 115.22 100.64 2jor n HIS 71 Ca 0.01 -0.90 -0.01 0.00 0.46 0.00 0.00 57.72 57.27 2jor n HIS 71 Cb 0.71 1.20 0.02 0.00 -0.12 0.00 0.00 29.99 31.80 2jor n HIS 71 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2jor s ARG 72 N 0.59 0.44 -0.16 1.57 3.52 -1.26 -5.14 118.95 118.52 2jor s ARG 72 Ca 0.26 -0.34 -0.32 0.00 -0.13 0.00 0.00 55.73 55.20 2jor s ARG 72 Cb 0.16 0.00 0.14 0.00 -1.56 0.00 0.00 34.95 33.69 2jor s ARG 72 CO -0.11 -0.58 1.12 0.34 -0.81 0.00 0.00 175.30 175.26 2jor s ASP 73 N 1.33 -0.22 -0.30 -2.12 2.15 -1.26 -3.98 116.67 112.27 2jor s ASP 73 Ca 0.21 0.09 -0.10 0.00 0.43 0.00 0.00 52.55 53.18 2jor s ASP 73 Cb 0.06 0.21 0.18 0.00 -0.30 0.00 0.00 42.92 43.07 2jor s ASP 73 CO -0.10 -0.31 0.96 -0.75 -0.17 0.00 0.00 175.17 174.80 2jor s LYS 74 N -2.13 0.25 -0.63 4.34 2.20 -1.26 -5.10 119.74 117.42 2jor s LYS 74 Ca 0.06 0.39 -0.27 0.00 -0.36 0.00 0.00 55.97 55.79 2jor s LYS 74 Cb -0.01 0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 2jor s LYS 74 CO -0.05 -0.33 1.74 -0.51 -0.36 0.00 0.00 175.35 175.84 2jor s ASP 75 N 2.93 5.46 0.00 1.43 1.01 -1.26 -4.79 116.67 121.46 2jor s ASP 75 Ca 0.09 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.55 2jor s ASP 75 Cb -0.09 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2jor s ASP 75 CO -0.16 -2.25 0.00 0.47 0.21 0.00 0.00 175.17 173.44 2jor n ASP 76 N 12.02 0.00 -4.66 0.27 9.92 -1.26 -4.85 116.55 127.98 2jor n ASP 76 Ca 0.17 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.01 2jor n ASP 76 Cb 0.51 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 2jor n ASP 76 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jor s PHE 77 N 0.00 2.08 -0.29 1.24 0.08 -1.26 -4.95 117.98 114.89 2jor s PHE 77 Ca 0.00 0.27 -0.24 0.00 0.12 0.00 0.00 56.93 57.07 2jor s PHE 77 Cb 0.00 -3.89 0.14 0.00 -0.57 0.00 0.00 43.02 38.71 2jor s PHE 77 CO 0.00 -3.68 1.14 0.12 -0.10 0.00 0.00 175.22 172.70 2jor s PHE 78 N 3.86 -0.37 -2.00 0.36 5.36 -1.26 -5.22 117.98 118.71 2jor s PHE 78 Ca 0.72 0.88 0.02 0.00 -0.96 0.00 0.00 56.93 57.59 2jor s PHE 78 Cb -0.33 0.39 0.14 0.00 -0.34 0.00 0.00 43.02 42.88 2jor s PHE 78 CO 0.29 -0.18 0.62 0.25 -1.46 0.00 0.00 175.22 174.75