#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 -3.64 2.02 -5.35 -1.26 -5.07 119.36 106.06 2jor n ILE 2 Ca 0.00 -0.01 -0.03 0.00 -0.27 0.00 0.00 62.75 62.43 2jor n ILE 2 Cb 0.00 -0.33 -0.07 0.00 -1.74 0.00 0.00 39.64 37.50 2jor n ILE 2 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jor s ASP 3 N -2.09 -0.47 -0.69 7.28 2.15 -1.26 -5.08 116.67 116.52 2jor s ASP 3 Ca 0.09 0.78 -0.26 0.00 0.43 0.00 0.00 52.55 53.59 2jor s ASP 3 Cb -0.01 1.12 -0.10 0.00 -0.30 0.00 0.00 42.92 43.63 2jor s ASP 3 CO 0.07 -0.13 2.34 0.20 -0.17 0.00 0.00 175.17 177.49 2jor s ASN 4 N 1.12 4.26 -0.30 -0.34 0.01 -1.26 -4.79 114.94 113.64 2jor s ASN 4 Ca -0.07 0.36 -0.15 0.00 -0.71 0.00 0.00 52.86 52.29 2jor s ASN 4 Cb -0.04 -2.53 0.17 0.00 0.41 0.00 0.00 41.25 39.26 2jor s ASN 4 CO -0.13 -3.36 1.00 -0.70 -1.51 0.00 0.00 177.10 172.40 2jor s GLU 5 N 8.41 0.28 0.16 -0.60 2.12 -1.26 -5.14 118.70 122.67 2jor s GLU 5 Ca 0.91 0.70 -0.30 0.00 0.36 0.00 0.00 54.97 56.63 2jor s GLU 5 Cb -0.14 0.42 -0.08 0.00 0.26 0.00 0.00 34.13 34.59 2jor s GLU 5 CO 0.14 -0.10 1.28 0.21 -0.54 0.00 0.00 175.26 176.25 2jor s LYS 6 N 2.45 4.41 0.14 4.30 2.20 -1.26 -4.91 119.74 127.06 2jor s LYS 6 Ca -0.02 1.97 -0.34 0.00 -0.36 0.00 0.00 55.97 57.21 2jor s LYS 6 Cb -0.06 -3.24 -0.16 0.00 -1.51 0.00 0.00 37.83 32.86 2jor s LYS 6 CO -0.17 -0.24 1.26 1.55 -0.36 0.00 0.00 175.35 177.38 2jor n VAL 7 N 3.05 0.48 0.00 4.02 3.14 -1.26 -4.67 118.33 123.09 2jor n VAL 7 Ca 0.07 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2jor n VAL 7 Cb 0.44 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 2jor n VAL 7 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2jor n THR 8 N 2.01 0.00 -3.09 1.55 -1.04 -1.26 -5.03 114.28 107.41 2jor n THR 8 Ca 0.16 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.78 2jor n THR 8 Cb 0.22 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 2jor n THR 8 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2jor s SER 9 N -1.82 7.05 1.61 8.00 0.01 -1.26 -4.79 113.70 122.50 2jor s SER 9 Ca 0.00 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2jor s SER 9 Cb 0.00 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2jor s SER 9 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2jor n GLY 10 N 2.63 1.02 3.15 3.44 0.00 -1.26 -4.36 105.19 109.80 2jor n GLY 10 Ca -0.04 0.49 0.06 0.00 0.00 0.00 0.00 46.02 46.53 2jor n GLY 10 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jor s HIS 11 N 0.00 -0.34 -0.89 1.61 -3.43 -1.26 -5.01 115.29 105.97 2jor s HIS 11 Ca 0.00 0.24 -0.06 0.00 -0.80 0.00 0.00 55.06 54.43 2jor s HIS 11 Cb 0.00 0.07 -0.00 0.00 -1.43 0.00 0.00 32.58 31.22 2jor s HIS 11 CO 0.00 -0.20 0.70 2.41 -2.00 0.00 0.00 174.74 175.66 2jor n THR 12 N 5.19 -6.66 -4.21 -5.38 -1.04 -1.26 -4.50 114.28 96.42 2jor n THR 12 Ca 0.05 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2jor n THR 12 Cb 0.57 -4.86 0.00 0.00 -1.82 0.00 0.00 70.33 64.22 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 -2.80 0.00 -3.05 12.58 -1.04 -1.26 -4.93 114.28 113.77 2jor n THR 13 Ca -0.13 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2jor n THR 13 Cb 0.59 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.10 2jor n THR 13 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jor n THR 14 N 0.00 -4.81 -4.16 12.58 -1.04 -1.26 -4.90 114.28 110.69 2jor n THR 14 Ca 0.00 0.88 -0.11 0.00 -2.04 0.00 0.00 64.05 62.78 2jor n THR 14 Cb 0.00 -4.07 -0.10 0.00 -1.82 0.00 0.00 70.33 64.34 2jor n THR 14 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2jor s THR 15 N -1.10 0.68 0.06 12.58 -4.23 -1.26 -4.54 115.64 117.84 2jor s THR 15 Ca -0.01 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2jor s THR 15 Cb 0.00 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 2jor s THR 15 CO 0.22 -0.83 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.28 2jor s ARG 16 N -3.64 0.64 0.00 3.99 0.52 -1.26 -4.79 118.95 114.42 2jor s ARG 16 Ca 0.10 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2jor s ARG 16 Cb 0.04 -0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.41 2jor s ARG 16 CO -0.04 -0.02 0.00 2.89 0.02 0.00 0.00 175.30 178.14 2jor n ARG 17 N 0.59 0.00 -0.06 3.54 1.85 -1.25 -4.90 116.66 116.43 2jor n ARG 17 Ca -0.17 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.60 2jor n ARG 17 Cb 0.58 -1.13 -0.08 0.00 -1.05 0.00 0.00 32.46 30.79 2jor n ARG 17 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2jor h SER 18 N 0.00 0.00 -3.70 2.89 0.87 -1.86 -3.29 113.55 108.46 2jor h SER 18 Ca 0.00 -0.58 -0.18 0.00 -1.23 0.00 0.00 61.79 59.80 2jor h SER 18 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2jor h SER 18 CO 0.00 0.81 -0.12 0.00 -0.53 0.00 0.00 176.83 176.99 2jor s SER 20 N -1.80 6.81 -0.21 0.00 0.01 -1.26 -4.05 113.70 113.19 2jor s SER 20 Ca 0.02 2.30 -0.04 0.00 1.31 0.00 0.00 55.95 59.54 2jor s SER 20 Cb -0.00 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.74 2jor s SER 20 CO 0.01 -0.69 0.18 -0.54 0.41 0.00 0.00 173.24 172.61 2jor s LYS 21 N 1.48 0.16 -0.18 12.44 -0.14 -1.11 -4.75 119.74 127.64 2jor s LYS 21 Ca 0.65 0.02 -0.01 0.00 -1.36 0.00 0.00 55.97 55.27 2jor s LYS 21 Cb -0.36 -1.37 0.00 0.00 -1.68 0.00 0.00 37.83 34.42 2jor s LYS 21 CO 0.30 -0.72 -0.13 0.14 -0.76 0.00 0.00 175.35 174.17 2jor s VAL 22 N 2.25 2.72 -0.22 3.17 -7.23 -1.26 -2.24 120.40 117.58 2jor s VAL 22 Ca 0.06 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 2jor s VAL 22 Cb -0.16 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2jor s VAL 22 CO -0.15 0.49 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.38 2jor s ILE 23 N 1.17 1.95 -0.22 -0.62 1.09 -1.14 -4.90 121.20 118.53 2jor s ILE 23 Ca 0.01 -1.25 0.01 0.00 -1.10 0.00 0.00 60.65 58.33 2jor s ILE 23 Cb -0.14 -1.98 0.05 0.00 -1.06 0.00 0.00 42.46 39.33 2jor s ILE 23 CO -0.05 0.17 -0.10 0.42 -0.10 0.00 0.00 174.94 175.28 2jor s THR 24 N 1.25 1.77 -0.23 2.92 -4.23 -1.26 -2.05 115.64 113.82 2jor s THR 24 Ca -0.03 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 2jor s THR 24 Cb -0.17 -1.88 0.05 0.00 1.34 0.00 0.00 72.50 71.83 2jor s THR 24 CO -0.08 0.08 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.41 2jor s LYS 25 N 1.32 2.34 -0.28 3.99 1.02 0.27 -4.67 119.74 123.72 2jor s LYS 25 Ca -0.04 -1.10 -0.08 0.00 0.02 0.00 0.00 55.97 54.77 2jor s LYS 25 Cb -0.18 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2jor s LYS 25 CO -0.07 -0.45 0.10 0.95 -0.92 0.00 0.00 175.35 174.96 2jor s THR 26 N 1.22 4.33 -0.32 2.17 -4.23 -1.26 -1.41 115.64 116.14 2jor s THR 26 Ca -0.04 -0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 60.01 2jor s THR 26 Cb -0.17 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.55 2jor s THR 26 CO -0.08 0.17 0.10 -0.69 -0.54 0.00 0.00 174.62 173.59 2jor s VAL 27 N 1.59 3.88 -0.41 2.29 1.01 -0.92 -4.63 120.40 123.20 2jor s VAL 27 Ca 0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2jor s VAL 27 Cb -0.16 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.16 2jor s VAL 27 CO 0.04 -0.08 0.25 -0.89 0.00 0.00 0.00 175.10 174.42 2jor s THR 28 N 1.44 4.37 -0.34 3.92 2.01 -1.26 -2.76 115.64 123.02 2jor s THR 28 Ca 0.00 -1.24 -0.16 0.00 0.31 0.00 0.00 61.69 60.60 2jor s THR 28 Cb -0.19 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2jor s THR 28 CO 0.03 -0.44 0.41 0.20 -0.69 0.00 0.00 174.62 174.13 2jor s ASN 29 N 2.01 6.23 0.25 3.53 0.01 -0.68 -4.92 114.94 121.36 2jor s ASN 29 Ca 0.03 -0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.09 2jor s ASN 29 Cb -0.22 -2.22 0.41 0.00 0.41 0.00 0.00 41.25 39.63 2jor s ASN 29 CO 0.04 -0.39 1.06 0.00 -1.51 0.00 0.00 177.10 176.30 2jor n ALA 30 N 5.50 0.47 1.13 0.60 0.00 -1.26 -0.58 120.51 126.37 2jor n ALA 30 Ca -0.08 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2jor n ALA 30 Cb 0.49 -0.56 0.32 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.80 0.00 0.00 0.00 8.00 -1.26 -4.76 116.55 116.73 2jor n ASP 31 Ca -0.01 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.70 2jor n ASP 31 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2jor n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jor n GLY 32 N 0.10 0.47 3.91 0.44 0.00 0.26 -5.08 105.19 105.29 2jor n GLY 32 Ca 0.08 0.00 -0.30 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 -0.97 3.58 -0.29 1.61 0.52 -1.04 -4.99 118.95 117.36 2jor s ARG 33 Ca 0.00 -0.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.99 2jor s ARG 33 Cb 0.00 -2.84 0.17 0.00 0.52 0.00 0.00 34.95 32.80 2jor s ARG 33 CO 0.00 0.43 0.59 0.99 0.02 0.00 0.00 175.30 177.34 2jor s THR 34 N -1.75 -0.96 0.10 0.02 2.01 -1.26 -1.69 115.64 112.11 2jor s THR 34 Ca 0.40 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.48 2jor s THR 34 Cb -0.12 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2jor s THR 34 CO 0.27 -0.01 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.33 2jor s GLU 35 N 2.84 1.91 -0.17 4.92 -6.30 -1.11 -5.02 118.70 115.76 2jor s GLU 35 Ca 0.13 -1.11 -0.02 0.00 -2.50 0.00 0.00 54.97 51.47 2jor s GLU 35 Cb -0.14 -2.17 0.05 0.00 0.00 0.00 0.00 34.13 31.87 2jor s GLU 35 CO -0.20 0.50 0.01 0.99 0.02 0.00 0.00 175.26 176.57 2jor s THR 36 N -1.13 0.68 -0.35 -1.70 2.01 -1.26 -2.18 115.64 111.72 2jor s THR 36 Ca 0.18 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.49 2jor s THR 36 Cb -0.11 -1.05 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 2jor s THR 36 CO 0.10 -0.05 0.56 -0.89 -0.69 0.00 0.00 174.62 173.65 2jor s THR 37 N 1.80 4.97 -0.46 -0.82 2.01 -0.50 -4.95 115.64 117.69 2jor s THR 37 Ca 0.00 0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.52 2jor s THR 37 Cb -0.16 -4.00 0.27 0.00 0.01 0.00 0.00 72.50 68.62 2jor s THR 37 CO -0.07 -0.25 0.64 2.29 -0.69 0.00 0.00 174.62 176.54 2jor n LYS 38 N 5.85 1.36 -2.60 4.92 2.85 -1.25 -0.56 118.16 128.72 2jor n LYS 38 Ca -0.03 -3.70 -0.41 0.00 -1.05 0.00 0.00 58.31 53.11 2jor n LYS 38 Cb 0.49 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 33.23 2jor n LYS 38 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2jor s GLU 39 N -1.87 3.36 -0.26 -1.58 2.12 -0.87 -4.91 118.70 114.70 2jor s GLU 39 Ca 0.38 -0.71 -0.08 0.00 0.36 0.00 0.00 54.97 54.93 2jor s GLU 39 Cb 0.21 -4.68 -0.03 0.00 0.26 0.00 0.00 34.13 29.89 2jor s GLU 39 CO -0.08 -2.13 0.08 0.14 -0.54 0.00 0.00 175.26 172.73 2jor s VAL 40 N 5.16 4.36 -0.20 3.70 -7.23 -1.26 -2.90 120.40 122.03 2jor s VAL 40 Ca 0.38 -0.20 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 2jor s VAL 40 Cb -0.05 -3.06 0.06 0.00 0.56 0.00 0.00 36.38 33.88 2jor s VAL 40 CO 0.04 0.30 0.01 0.68 -0.31 0.00 0.00 175.10 175.82 2jor s VAL 41 N 1.62 0.81 -0.29 1.32 -7.23 -0.95 -5.03 120.40 110.65 2jor s VAL 41 Ca 0.06 -0.72 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 2jor s VAL 41 Cb -0.15 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.58 2jor s VAL 41 CO 0.04 -0.15 0.03 -0.54 -0.31 0.00 0.00 175.10 174.17 2jor s LYS 42 N 1.73 2.79 0.61 4.82 1.02 -1.26 -2.75 119.74 126.69 2jor s LYS 42 Ca -0.02 -1.04 -0.18 0.00 0.02 0.00 0.00 55.97 54.75 2jor s LYS 42 Cb -0.17 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 2jor s LYS 42 CO -0.07 -0.51 0.64 -1.13 -0.92 0.00 0.00 175.35 173.36 2jor n SER 43 N 4.75 -0.61 -4.42 2.83 3.41 -1.24 -4.84 113.62 113.49 2jor n SER 43 Ca -0.14 0.72 -0.39 0.00 -0.26 0.00 0.00 58.87 58.79 2jor n SER 43 Cb 0.46 -1.24 0.02 0.00 -0.26 0.00 0.00 64.21 63.19 2jor n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jor n GLU 44 N -0.47 0.44 -1.42 4.33 4.71 -1.26 -4.59 120.64 122.38 2jor n GLU 44 Ca 0.12 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 2jor n GLU 44 Cb 0.48 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 2jor n GLU 44 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2jor n ASP 45 N 1.13 -7.68 0.00 1.62 8.00 -1.26 -4.89 116.55 113.47 2jor n ASP 45 Ca 0.11 1.45 0.00 0.00 0.71 0.00 0.00 54.79 57.06 2jor n ASP 45 Cb 0.45 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 2jor n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jor n GLY 46 N -1.83 -2.86 3.52 0.44 0.00 -1.26 -4.70 105.19 98.50 2jor n GLY 46 Ca 0.00 -0.38 -0.50 0.00 0.00 0.00 0.00 46.02 45.14 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 0.36 -0.01 1.61 2.88 -1.26 -4.75 113.62 112.45 2jor n SER 47 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2jor n SER 47 Cb 0.00 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 2jor n SER 47 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2jor n ASP 48 N 1.83 0.00 -4.47 -3.46 5.75 -1.26 -5.13 116.55 109.80 2jor n ASP 48 Ca 0.16 -0.36 -0.32 0.00 -0.01 0.00 0.00 54.79 54.26 2jor n ASP 48 Cb 0.22 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.18 2jor n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jor h GLY 50 N 5.12 -0.29 -0.86 0.00 0.00 -2.00 -3.05 103.07 101.99 2jor h GLY 50 Ca -0.47 0.11 0.39 0.00 0.00 0.00 0.00 47.33 47.36 2jor h GLY 50 CO 0.50 -0.11 0.65 -0.55 0.00 0.00 0.00 176.54 177.03 2jor h ASP 51 N -0.68 0.37 -1.68 0.19 3.32 -2.03 -3.45 116.42 112.46 2jor h ASP 51 Ca -0.03 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2jor h ASP 51 Cb 0.48 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2jor h ASP 51 CO 0.05 -0.25 0.00 0.00 -1.72 0.00 0.00 179.24 177.32 2jor n ALA 52 N -2.35 -1.38 -3.07 3.45 0.00 -1.15 -4.74 120.51 111.25 2jor n ALA 52 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.79 2jor n ALA 52 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.67 2jor n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jor n ASP 53 N -0.38 -6.85 -3.46 0.00 9.92 -1.26 0.27 116.55 114.80 2jor n ASP 53 Ca 0.00 0.82 -0.16 0.00 -0.53 0.00 0.00 54.79 54.92 2jor n ASP 53 Cb 0.10 -1.93 0.16 0.00 -0.64 0.00 0.00 41.12 38.81 2jor n ASP 53 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2jor n PHE 54 N 2.01 -2.61 -1.50 1.24 3.01 -1.26 -2.07 117.46 116.27 2jor n PHE 54 Ca -0.03 -0.13 -0.51 0.00 1.01 0.00 0.00 57.45 57.80 2jor n PHE 54 Cb 0.21 -1.29 -0.07 0.00 -0.01 0.00 0.00 39.48 38.32 2jor n PHE 54 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2jor n ASP 55 N -1.76 2.31 -4.56 4.37 9.92 -1.26 -4.60 116.55 120.97 2jor n ASP 55 Ca 0.07 0.53 -0.43 0.00 -0.53 0.00 0.00 54.79 54.44 2jor n ASP 55 Cb 0.32 -1.27 -0.01 0.00 -0.64 0.00 0.00 41.12 39.52 2jor n ASP 55 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2jor s TRP 56 N 6.61 2.76 1.23 1.24 -0.11 -1.26 -4.39 118.94 125.03 2jor s TRP 56 Ca 1.07 -1.44 -0.18 0.00 1.22 0.00 0.00 56.10 56.76 2jor s TRP 56 Cb -0.85 -4.71 0.27 0.00 -1.50 0.00 0.00 33.47 26.68 2jor s TRP 56 CO 0.51 -1.81 0.61 0.72 -4.62 0.00 0.00 176.95 172.35 2jor n HIS 57 N 8.33 -2.89 -3.80 5.86 8.25 -1.26 -4.64 115.22 125.07 2jor n HIS 57 Ca 0.43 -0.37 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 2jor n HIS 57 Cb 0.47 -1.39 -0.12 0.00 1.12 0.00 0.00 29.99 30.07 2jor n HIS 57 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jor s HIS 58 N -2.12 -0.24 -0.34 4.41 2.46 -1.26 -4.98 115.29 113.22 2jor s HIS 58 Ca 0.53 0.59 -0.42 0.00 0.47 0.00 0.00 55.06 56.23 2jor s HIS 58 Cb -0.10 0.08 -0.17 0.00 -0.13 0.00 0.00 32.58 32.26 2jor s HIS 58 CO 0.47 -0.13 1.73 2.41 -2.47 0.00 0.00 174.74 176.75 2jor n THR 59 N 2.91 0.24 -3.87 0.89 -1.04 -1.26 -4.59 114.28 107.55 2jor n THR 59 Ca -0.13 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.48 2jor n THR 59 Cb 0.58 -1.06 -0.10 0.00 -1.82 0.00 0.00 70.33 67.93 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 3.53 3.26 -0.83 -1.42 0.08 -1.26 -5.00 117.98 116.34 2jor s PHE 60 Ca 1.00 0.07 -0.26 0.00 0.12 0.00 0.00 56.93 57.86 2jor s PHE 60 Cb -1.17 -2.15 -0.14 0.00 -0.57 0.00 0.00 43.02 38.99 2jor s PHE 60 CO 0.69 0.08 2.36 -1.25 -0.10 0.00 0.00 175.22 177.01 2jor s PRO 61 N 0.69 1.59 -1.09 0.24 0.04 -1.26 -3.64 135.00 131.57 2jor s PRO 61 Ca 0.05 0.36 -0.22 0.00 0.04 0.00 0.00 61.00 61.24 2jor s PRO 61 Cb -0.13 -4.82 0.02 0.00 0.04 0.00 0.00 34.50 29.61 2jor s PRO 61 CO 0.02 -4.53 0.71 0.43 0.04 0.00 0.00 177.00 173.67 2jor n SER 62 N 18.63 -4.90 -3.12 6.66 7.64 -1.26 -4.95 113.62 132.32 2jor n SER 62 Ca 0.46 -1.07 0.03 0.00 1.01 0.00 0.00 58.87 59.30 2jor n SER 62 Cb 0.44 -2.45 -0.00 0.00 -1.01 0.00 0.00 64.21 61.18 2jor n SER 62 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jor s ARG 63 N -6.21 0.52 0.19 1.43 3.52 -1.24 -5.12 118.95 112.04 2jor s ARG 63 Ca 0.37 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 2jor s ARG 63 Cb -0.17 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 2jor s ARG 63 CO 0.91 -0.87 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2jor n GLY 64 N 4.84 0.51 2.66 8.12 0.00 -1.26 -4.76 105.19 115.29 2jor n GLY 64 Ca 0.08 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.67 -2.97 1.61 2.85 -1.26 -4.99 115.26 108.97 2jor n ASN 65 Ca 0.00 -2.30 -0.13 0.00 -0.11 0.00 0.00 54.58 52.04 2jor n ASN 65 Cb 0.00 0.87 0.07 0.00 1.24 0.00 0.00 39.78 41.96 2jor n ASN 65 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2jor n LEU 66 N -0.92 -4.34 -4.38 1.20 4.32 -1.26 -4.93 117.00 106.69 2jor n LEU 66 Ca -0.09 -0.55 -0.33 0.00 -0.02 0.00 0.00 56.01 55.01 2jor n LEU 66 Cb 0.84 -2.70 0.11 0.00 -1.62 0.00 0.00 43.42 40.05 2jor n LEU 66 CO -0.11 0.20 -0.18 0.47 -1.22 0.00 0.00 177.39 176.55 2jor n ASP 67 N -2.84 -2.38 -4.66 -1.43 9.92 -1.26 -4.77 116.55 109.13 2jor n ASP 67 Ca -0.15 0.33 -0.41 0.00 -0.53 0.00 0.00 54.79 54.03 2jor n ASP 67 Cb 0.62 -1.17 0.02 0.00 -0.64 0.00 0.00 41.12 39.95 2jor n ASP 67 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2jor n ASP 68 N -0.89 1.84 -1.86 -2.24 9.92 -1.26 -4.53 116.55 117.53 2jor n ASP 68 Ca 0.06 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.36 2jor n ASP 68 Cb 0.54 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 2jor n ASP 68 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2jor n PHE 69 N -0.52 0.00 -2.81 1.24 7.35 -1.26 -4.92 117.46 116.53 2jor n PHE 69 Ca 0.09 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.67 2jor n PHE 69 Cb 0.40 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.30 2jor n PHE 69 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2jor n PHE 70 N 0.00 -2.18 -2.67 -5.13 3.72 -1.26 -4.88 117.46 105.06 2jor n PHE 70 Ca 0.00 -2.45 -0.05 0.00 -0.05 0.00 0.00 57.45 54.91 2jor n PHE 70 Cb 0.00 1.20 0.04 0.00 -0.94 0.00 0.00 39.48 39.78 2jor n PHE 70 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jor n HIS 71 N 0.25 -1.03 -0.72 1.38 -0.00 -1.26 -5.10 115.22 108.74 2jor n HIS 71 Ca 0.09 -1.09 -0.32 0.00 0.46 0.00 0.00 57.72 56.86 2jor n HIS 71 Cb 0.71 1.31 0.14 0.00 -0.12 0.00 0.00 29.99 32.03 2jor n HIS 71 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2jor n ARG 72 N -0.38 -1.38 -1.48 1.57 1.85 -1.26 -4.70 116.66 110.88 2jor n ARG 72 Ca -0.17 -0.39 0.19 0.00 -1.00 0.00 0.00 57.85 56.47 2jor n ARG 72 Cb 0.71 -1.52 -0.07 0.00 -1.05 0.00 0.00 32.46 30.53 2jor n ARG 72 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2jor n ASP 73 N -0.55 -8.84 0.00 2.89 2.03 0.78 -4.92 116.55 107.93 2jor n ASP 73 Ca 0.01 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.39 2jor n ASP 73 Cb 0.62 -4.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 2jor n ASP 73 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2jor n LYS 74 N -4.36 0.00 -2.52 -0.67 2.85 -1.26 -4.89 118.16 107.31 2jor n LYS 74 Ca -0.04 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 2jor n LYS 74 Cb 0.69 -0.40 -0.02 0.00 -0.65 0.00 0.00 35.03 34.65 2jor n LYS 74 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2jor s ASP 75 N -2.46 7.00 0.00 -5.58 -1.08 -1.26 -4.66 116.67 108.63 2jor s ASP 75 Ca 0.00 1.54 0.00 0.00 -0.52 0.00 0.00 52.55 53.57 2jor s ASP 75 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2jor s ASP 75 CO 0.00 -0.73 0.00 0.47 0.52 0.00 0.00 175.17 175.43 2jor n ASP 76 N 6.52 0.00 0.00 -0.34 8.00 -1.26 -5.15 116.55 124.33 2jor n ASP 76 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2jor n ASP 76 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2jor n ASP 76 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jor n PHE 77 N -0.20 -0.37 -1.39 1.24 3.72 -1.26 -4.59 117.46 114.62 2jor n PHE 77 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 2jor n PHE 77 Cb 0.00 0.10 0.10 0.00 -0.94 0.00 0.00 39.48 38.74 2jor n PHE 77 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jor s PHE 78 N 0.00 2.05 0.00 1.38 0.08 -1.26 -5.25 117.98 114.98 2jor s PHE 78 Ca 0.00 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2jor s PHE 78 Cb 0.00 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 2jor s PHE 78 CO 0.00 -2.58 0.00 0.25 -0.10 0.00 0.00 175.22 172.79