#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jor s ILE 2 N 0.00 0.00 0.19 2.02 2.07 -1.26 -5.10 121.20 119.12 2jor s ILE 2 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2jor s ILE 2 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2jor s ILE 2 CO 0.00 0.00 0.00 -0.90 -1.91 0.00 0.00 174.94 172.13 2jor n ASP 3 N -0.11 -1.25 -4.73 4.50 5.75 -1.26 -5.09 116.55 114.36 2jor n ASP 3 Ca -0.05 0.35 -0.42 0.00 -0.01 0.00 0.00 54.79 54.66 2jor n ASP 3 Cb 0.60 1.37 -0.03 0.00 -1.03 0.00 0.00 41.12 42.03 2jor n ASP 3 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2jor s ASN 4 N -2.59 6.75 0.00 -1.12 2.20 -1.26 -4.61 114.94 114.31 2jor s ASN 4 Ca 0.00 2.51 0.00 0.00 -0.94 0.00 0.00 52.86 54.43 2jor s ASN 4 Cb 0.00 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.64 2jor s ASN 4 CO 0.00 -0.65 0.00 1.21 -2.94 0.00 0.00 177.10 174.72 2jor n GLU 5 N 2.94 0.00 -3.54 3.55 2.13 -1.26 -5.11 120.64 119.35 2jor n GLU 5 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2jor n GLU 5 Cb 0.41 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.08 2jor n GLU 5 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2jor s LYS 6 N -0.21 0.45 0.33 5.31 2.20 -1.26 -5.14 119.74 121.42 2jor s LYS 6 Ca 0.00 1.14 -0.28 0.00 -0.36 0.00 0.00 55.97 56.47 2jor s LYS 6 Cb 0.00 0.69 -0.10 0.00 -1.51 0.00 0.00 37.83 36.91 2jor s LYS 6 CO 0.00 -0.16 1.18 0.54 -0.36 0.00 0.00 175.35 176.56 2jor s VAL 7 N 2.70 3.15 0.33 4.02 0.11 -1.26 -4.93 120.40 124.52 2jor s VAL 7 Ca -0.04 1.11 -0.26 0.00 -2.93 0.00 0.00 61.98 59.85 2jor s VAL 7 Cb -0.09 -3.69 -0.13 0.00 -1.53 0.00 0.00 36.38 30.93 2jor s VAL 7 CO -0.18 0.23 0.90 0.35 -3.33 0.00 0.00 175.10 173.06 2jor n THR 8 N 0.78 2.04 0.11 5.04 -2.24 -1.26 -4.88 114.28 113.88 2jor n THR 8 Ca 0.01 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.05 2jor n THR 8 Cb 0.44 -0.87 -0.15 0.00 -2.10 0.00 0.00 70.33 67.65 2jor n THR 8 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jor h SER 9 N 1.63 0.82 -2.81 3.42 0.87 -2.05 -3.47 113.55 111.97 2jor h SER 9 Ca -0.40 -0.88 -0.31 0.00 -1.23 0.00 0.00 61.79 58.97 2jor h SER 9 Cb 1.36 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 63.00 2jor h SER 9 CO 0.58 1.63 -0.36 0.61 -0.53 0.00 0.00 176.83 178.76 2jor n GLY 10 N 1.56 0.13 0.06 5.77 0.00 -1.26 -4.84 105.19 106.60 2jor n GLY 10 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2jor n GLY 10 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2jor h HIS 11 N 0.00 0.00 0.00 1.61 6.17 -2.01 -3.33 115.15 117.59 2jor h HIS 11 Ca -0.35 0.00 -0.28 0.00 0.71 0.00 0.00 60.37 60.45 2jor h HIS 11 Cb 1.19 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 31.08 2jor h HIS 11 CO 0.58 0.47 0.74 0.25 0.71 0.00 0.00 177.93 180.68 2jor n THR 12 N -4.69 2.92 -2.27 6.26 -2.24 -1.26 -4.82 114.28 108.18 2jor n THR 12 Ca -0.05 -1.56 -0.33 0.00 -2.27 0.00 0.00 64.05 59.83 2jor n THR 12 Cb 0.23 -2.08 -0.04 0.00 -2.10 0.00 0.00 70.33 66.34 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 1.60 3.71 0.00 4.28 -1.32 -1.25 -4.66 115.64 117.99 2jor s THR 13 Ca 0.59 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 2jor s THR 13 Cb 0.25 -4.62 0.00 0.00 -1.51 0.00 0.00 72.50 66.61 2jor s THR 13 CO -0.01 -1.39 0.00 0.35 -2.21 0.00 0.00 174.62 171.36 2jor n THR 14 N 7.36 0.00 -3.73 5.08 -2.24 -1.26 -5.16 114.28 114.32 2jor n THR 14 Ca 0.41 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.07 2jor n THR 14 Cb 0.48 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 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 2.25 -0.03 0.04 4.28 2.01 -1.26 -5.16 115.64 117.76 2jor s THR 15 Ca 0.00 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 2jor s THR 15 Cb 0.00 -0.44 0.04 0.00 0.01 0.00 0.00 72.50 72.10 2jor s THR 15 CO 0.00 0.04 0.41 0.00 -0.69 0.00 0.00 174.62 174.38 2jor s ARG 16 N 1.01 0.91 0.00 4.92 3.03 -1.26 -4.88 118.95 122.68 2jor s ARG 16 Ca -0.07 -0.35 0.00 0.00 2.03 0.00 0.00 55.73 57.34 2jor s ARG 16 Cb -0.08 0.41 0.00 0.00 -1.03 0.00 0.00 34.95 34.25 2jor s ARG 16 CO -0.07 -0.31 0.00 -2.13 -1.13 0.00 0.00 175.30 171.66 2jor n ARG 17 N 0.55 0.00 0.02 3.89 0.63 -1.26 -4.90 116.66 115.59 2jor n ARG 17 Ca -0.19 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.62 2jor n ARG 17 Cb 0.60 -0.50 -0.09 0.00 0.45 0.00 0.00 32.46 32.92 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 -0.10 -2.19 6.15 0.02 -1.87 -3.18 113.55 112.38 2jor h SER 18 Ca 0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2jor h SER 18 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2jor h SER 18 CO 0.00 0.45 0.00 0.00 -1.14 0.00 0.00 176.83 176.14 2jor s SER 20 N -0.28 6.99 -0.25 0.00 0.01 -1.26 -3.85 113.70 115.06 2jor s SER 20 Ca 0.00 2.33 -0.02 0.00 1.31 0.00 0.00 55.95 59.57 2jor s SER 20 Cb 0.00 -2.61 0.13 0.00 0.21 0.00 0.00 66.02 63.75 2jor s SER 20 CO 0.00 -0.45 0.32 -0.54 0.41 0.00 0.00 173.24 172.99 2jor s LYS 21 N -0.25 0.31 -0.17 12.44 -0.14 -0.15 -4.70 119.74 127.08 2jor s LYS 21 Ca 0.54 0.22 0.01 0.00 -1.36 0.00 0.00 55.97 55.39 2jor s LYS 21 Cb -0.35 -0.67 0.02 0.00 -1.68 0.00 0.00 37.83 35.15 2jor s LYS 21 CO 0.38 -0.80 -0.18 0.08 -0.76 0.00 0.00 175.35 174.07 2jor s VAL 22 N 2.45 1.90 -0.19 3.17 1.01 -1.24 -0.09 120.40 127.42 2jor s VAL 22 Ca 0.10 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2jor s VAL 22 Cb -0.15 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.54 2jor s VAL 22 CO -0.21 0.51 -0.08 -0.63 0.00 0.00 0.00 175.10 174.69 2jor s ILE 23 N 1.35 1.39 -0.04 2.22 1.09 -0.82 -4.08 121.20 122.32 2jor s ILE 23 Ca 0.05 -0.85 0.06 0.00 -1.10 0.00 0.00 60.65 58.80 2jor s ILE 23 Cb -0.13 -1.53 -0.01 0.00 -1.06 0.00 0.00 42.46 39.73 2jor s ILE 23 CO -0.12 0.13 -0.21 0.28 -0.10 0.00 0.00 174.94 174.92 2jor s THR 24 N 1.50 1.71 -0.24 2.92 -1.32 -1.26 -0.79 115.64 118.17 2jor s THR 24 Ca -0.01 -0.89 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 2jor s THR 24 Cb -0.16 -1.45 0.05 0.00 -1.51 0.00 0.00 72.50 69.43 2jor s THR 24 CO -0.08 0.48 -0.14 -0.75 -2.21 0.00 0.00 174.62 171.93 2jor s LYS 25 N -0.18 2.45 -0.13 7.08 2.20 0.31 -4.87 119.74 126.61 2jor s LYS 25 Ca -0.00 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 2jor s LYS 25 Cb -0.11 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2jor s LYS 25 CO 0.02 -0.46 -0.14 0.99 -0.36 0.00 0.00 175.35 175.40 2jor s THR 26 N 1.16 3.01 -0.27 3.43 2.01 -1.26 -1.55 115.64 122.17 2jor s THR 26 Ca -0.05 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2jor s THR 26 Cb -0.18 -2.26 0.06 0.00 0.01 0.00 0.00 72.50 70.14 2jor s THR 26 CO -0.07 0.53 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.60 2jor s VAL 27 N 0.35 2.20 -0.47 3.82 1.01 -0.98 -4.87 120.40 121.46 2jor s VAL 27 Ca -0.11 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 59.97 2jor s VAL 27 Cb -0.16 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2jor s VAL 27 CO 0.06 -0.08 0.67 -0.89 0.00 0.00 0.00 175.10 174.86 2jor s THR 28 N 1.09 4.79 -0.36 3.92 2.01 -1.26 -2.93 115.64 122.90 2jor s THR 28 Ca -0.07 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 2jor s THR 28 Cb -0.20 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.04 2jor s THR 28 CO -0.05 -0.71 0.55 0.20 -0.69 0.00 0.00 174.62 173.91 2jor s ASN 29 N 2.27 6.33 0.18 3.53 0.01 -0.60 -4.91 114.94 121.75 2jor s ASN 29 Ca 0.21 -0.06 0.08 0.00 -0.71 0.00 0.00 52.86 52.38 2jor s ASN 29 Cb -0.15 -2.28 0.42 0.00 0.41 0.00 0.00 41.25 39.65 2jor s ASN 29 CO 0.17 -0.54 1.10 0.00 -1.51 0.00 0.00 177.10 176.33 2jor n ALA 30 N 5.84 0.64 1.13 0.60 0.00 -1.26 -1.18 120.51 126.28 2jor n ALA 30 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.49 2jor n ALA 30 Cb 0.49 -0.74 0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.74 0.00 0.00 0.00 8.00 -1.26 -4.73 116.55 116.82 2jor n ASP 31 Ca -0.01 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2jor n ASP 31 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.08 0.40 3.94 0.44 0.00 -0.33 -5.07 105.19 104.65 2jor n GLY 32 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.93 3.47 -0.28 1.61 0.52 -1.00 -5.01 118.95 117.34 2jor s ARG 33 Ca 0.00 -0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 2jor s ARG 33 Cb 0.00 -2.90 0.16 0.00 0.52 0.00 0.00 34.95 32.73 2jor s ARG 33 CO 0.00 0.46 0.54 0.95 0.02 0.00 0.00 175.30 177.27 2jor s THR 34 N -1.83 -0.88 -0.02 0.02 -4.23 -1.26 -1.56 115.64 105.87 2jor s THR 34 Ca 0.36 -0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2jor s THR 34 Cb -0.11 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 2jor s THR 34 CO 0.29 -0.02 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.64 2jor s GLU 35 N 2.78 2.81 -0.18 3.99 2.12 -1.15 -5.03 118.70 124.04 2jor s GLU 35 Ca 0.13 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.87 2jor s GLU 35 Cb -0.14 -2.68 0.05 0.00 0.26 0.00 0.00 34.13 31.62 2jor s GLU 35 CO -0.19 0.64 0.01 0.95 -0.54 0.00 0.00 175.26 176.13 2jor s THR 36 N -1.02 0.69 -0.33 -1.70 -4.23 -1.26 -2.31 115.64 105.47 2jor s THR 36 Ca 0.18 -0.53 -0.15 0.00 -1.18 0.00 0.00 61.69 60.00 2jor s THR 36 Cb -0.11 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 2jor s THR 36 CO 0.08 -0.08 0.35 0.42 -0.54 0.00 0.00 174.62 174.85 2jor s THR 37 N 1.80 5.18 -0.68 3.99 -4.23 -0.60 -4.98 115.64 116.12 2jor s THR 37 Ca -0.00 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 2jor s THR 37 Cb -0.16 -3.80 0.20 0.00 1.34 0.00 0.00 72.50 70.08 2jor s THR 37 CO -0.07 -0.06 0.61 0.29 -0.54 0.00 0.00 174.62 174.84 2jor n LYS 38 N 5.36 2.13 -1.45 3.99 5.02 -1.26 -0.53 118.16 131.42 2jor n LYS 38 Ca -0.09 -4.57 -0.30 0.00 -2.02 0.00 0.00 58.31 51.33 2jor n LYS 38 Cb 0.50 -2.27 -0.09 0.00 -0.02 0.00 0.00 35.03 33.14 2jor n LYS 38 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jor n GLU 39 N 1.48 0.80 -2.87 1.97 2.13 0.03 -4.88 120.64 119.29 2jor n GLU 39 Ca 0.24 -1.84 -0.41 0.00 0.66 0.00 0.00 57.16 55.81 2jor n GLU 39 Cb 0.38 -3.43 -0.04 0.00 0.27 0.00 0.00 31.44 28.62 2jor n GLU 39 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2jor s VAL 40 N 11.27 4.87 -0.29 6.31 -7.23 -1.26 -1.95 120.40 132.12 2jor s VAL 40 Ca 0.71 1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 62.55 2jor s VAL 40 Cb 0.04 -4.15 0.09 0.00 0.56 0.00 0.00 36.38 32.91 2jor s VAL 40 CO 0.19 0.03 0.07 -0.69 -0.31 0.00 0.00 175.10 174.39 2jor s VAL 41 N 2.12 1.09 0.14 1.32 1.01 0.88 -4.99 120.40 121.97 2jor s VAL 41 Ca 0.39 -1.40 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2jor s VAL 41 Cb -0.17 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2jor s VAL 41 CO 0.13 -0.55 0.16 -0.54 0.00 0.00 0.00 175.10 174.30 2jor s LYS 42 N 1.53 3.03 0.00 2.72 1.02 -1.26 -0.97 119.74 125.80 2jor s LYS 42 Ca 0.07 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.30 2jor s LYS 42 Cb -0.18 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2jor s LYS 42 CO -0.19 0.51 0.00 -1.13 -0.92 0.00 0.00 175.35 173.62 2jor n SER 43 N -0.22 0.00 0.00 2.83 3.41 -1.20 -4.72 113.62 113.72 2jor n SER 43 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2jor n SER 43 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2jor n SER 43 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jor n GLU 44 N 0.00 0.00 -1.67 4.33 0.28 -1.26 -5.07 120.64 117.25 2jor n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jor n GLU 44 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2jor n GLU 44 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jor n ASP 45 N 0.00 -8.87 0.00 -1.84 -0.08 -1.26 -5.08 116.55 99.41 2jor n ASP 45 Ca 0.00 1.27 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 2jor n ASP 45 Cb 0.00 -4.86 0.00 0.00 2.34 0.00 0.00 41.12 38.60 2jor n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jor n GLY 46 N -0.42 1.39 1.90 0.27 0.00 -1.26 -4.97 105.19 102.10 2jor n GLY 46 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 4.08 -1.16 1.61 7.64 -1.26 -4.06 113.62 120.46 2jor n SER 47 Ca 0.00 -3.15 0.08 0.00 1.01 0.00 0.00 58.87 56.81 2jor n SER 47 Cb 0.00 -0.74 0.28 0.00 -1.01 0.00 0.00 64.21 62.74 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 -0.40 4.04 -3.87 6.43 9.92 -1.26 -4.67 116.55 126.74 2jor n ASP 48 Ca 0.41 -2.45 -0.14 0.00 -0.53 0.00 0.00 54.79 52.08 2jor n ASP 48 Cb 1.33 -0.47 -0.15 0.00 -0.64 0.00 0.00 41.12 41.19 2jor n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jor n GLY 50 N 3.37 2.83 0.26 0.00 0.00 -1.26 -4.73 105.19 105.67 2jor n GLY 50 Ca -0.17 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2jor n GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jor n ASP 51 N 0.37 1.70 -0.02 1.61 5.75 -1.26 -4.70 116.55 120.00 2jor n ASP 51 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2jor n ASP 51 Cb 0.00 -0.69 -0.12 0.00 -1.03 0.00 0.00 41.12 39.28 2jor n ASP 51 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jor n ALA 52 N -4.13 2.05 -3.33 2.12 0.00 -1.26 -4.41 120.51 111.56 2jor n ALA 52 Ca -0.36 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.09 2jor n ALA 52 Cb 0.71 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.68 -6.34 -4.65 0.00 2.03 -1.26 0.29 116.55 103.94 2jor n ASP 53 Ca -0.15 -0.11 -0.41 0.00 0.52 0.00 0.00 54.79 54.65 2jor n ASP 53 Cb 0.85 -3.14 0.01 0.00 -0.72 0.00 0.00 41.12 38.13 2jor n ASP 53 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jor n PHE 54 N -0.86 1.63 -1.51 -0.67 3.01 -1.26 -2.19 117.46 115.61 2jor n PHE 54 Ca -0.06 0.53 -0.27 0.00 1.01 0.00 0.00 57.45 58.65 2jor n PHE 54 Cb 0.60 -2.30 -0.17 0.00 -0.01 0.00 0.00 39.48 37.60 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 0.32 -0.29 0.00 4.37 9.92 -1.26 -4.80 116.55 124.80 2jor n ASP 55 Ca 0.08 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 2jor n ASP 55 Cb 0.39 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 2jor n ASP 55 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2jor n TRP 56 N 9.34 0.00 -2.04 1.24 -0.00 -1.26 -4.69 117.44 120.03 2jor n TRP 56 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.13 2jor n TRP 56 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 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 -0.88 -5.04 -2.47 5.87 -0.00 -1.22 -3.65 115.22 107.83 2jor n HIS 57 Ca 0.00 2.85 0.00 0.00 -0.00 0.00 0.00 57.72 60.57 2jor n HIS 57 Cb 0.00 -3.72 0.00 0.00 -0.00 0.00 0.00 29.99 26.27 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 1.34 0.00 -2.12 1.57 -0.00 -1.26 -4.07 115.22 110.68 2jor n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jor n HIS 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.00-12.87 -1.28 3.57 -1.04 -1.26 -4.89 114.28 96.51 2jor n THR 59 Ca 0.00 3.24 -0.32 0.00 -2.04 0.00 0.00 64.05 64.94 2jor n THR 59 Cb 0.00 -5.33 0.10 0.00 -1.82 0.00 0.00 70.33 63.28 2jor n THR 59 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2jor s PHE 60 N -0.50 2.33 0.29 -1.42 -0.71 -1.26 -4.78 117.98 111.93 2jor s PHE 60 Ca 0.00 1.61 0.03 0.00 -1.04 0.00 0.00 56.93 57.53 2jor s PHE 60 Cb 0.00 -3.19 0.66 0.00 -1.21 0.00 0.00 43.02 39.28 2jor s PHE 60 CO 0.00 -2.07 1.77 -1.35 -1.34 0.00 0.00 175.22 172.22 2jor h PRO 61 N -0.92 0.67 -3.52 1.99 0.10 -1.89 -2.99 132.00 125.45 2jor h PRO 61 Ca -0.45 -0.04 -0.21 0.00 0.10 0.00 0.00 66.00 65.40 2jor h PRO 61 Cb 1.25 -0.15 0.01 0.00 0.10 0.00 0.00 31.00 32.20 2jor h PRO 61 CO 0.50 0.44 1.76 0.45 0.10 0.00 0.00 178.00 181.25 2jor n SER 62 N -4.82 2.90 0.00 -2.05 2.88 -1.26 -2.22 113.62 109.05 2jor n SER 62 Ca 0.21 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2jor n SER 62 Cb 0.52 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2jor n SER 62 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jor n ARG 63 N 4.28 0.00 -3.02 -1.46 1.74 -1.14 -5.08 116.66 111.98 2jor n ARG 63 Ca 0.26 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2jor n ARG 63 Cb 0.11 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.57 2jor n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jor n GLY 64 N 0.00 0.06 3.15 -0.13 0.00 -0.94 -4.98 105.19 102.35 2jor n GLY 64 Ca 0.00 0.37 0.05 0.00 0.00 0.00 0.00 46.02 46.44 2jor n GLY 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jor s ASN 65 N -1.03 -0.79 -0.30 1.61 2.47 -1.26 -5.15 114.94 110.49 2jor s ASN 65 Ca 0.12 0.39 -0.16 0.00 0.42 0.00 0.00 52.86 53.63 2jor s ASN 65 Cb -0.01 1.62 0.17 0.00 -1.45 0.00 0.00 41.25 41.58 2jor s ASN 65 CO 0.28 -0.15 1.07 -0.22 -3.72 0.00 0.00 177.10 174.36 2jor s LEU 66 N 2.92 -0.44 0.00 3.21 2.96 -1.26 -4.75 118.68 121.31 2jor s LEU 66 Ca 0.10 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2jor s LEU 66 Cb -0.10 1.51 0.00 0.00 0.50 0.00 0.00 46.19 48.09 2jor s LEU 66 CO -0.17 -0.09 0.93 -0.90 -1.32 0.00 0.00 176.35 174.81 2jor n ASP 67 N 4.85 0.00 -4.88 3.68 5.75 -1.26 -4.58 116.55 120.12 2jor n ASP 67 Ca -0.08 0.93 -0.32 0.00 -0.01 0.00 0.00 54.79 55.31 2jor n ASP 67 Cb 0.53 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 2jor n ASP 67 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2jor s ASP 68 N -2.56 6.59 0.00 -1.12 1.47 -1.26 -4.88 116.67 114.92 2jor s ASP 68 Ca 0.00 0.86 0.00 0.00 1.18 0.00 0.00 52.55 54.59 2jor s ASP 68 Cb 0.00 -2.20 0.00 0.00 -0.34 0.00 0.00 42.92 40.38 2jor s ASP 68 CO 0.00 -0.06 0.00 2.22 0.68 0.00 0.00 175.17 178.01 2jor n PHE 69 N -0.16 0.00 -3.15 2.11 -1.74 -1.26 -3.37 117.46 109.89 2jor n PHE 69 Ca -0.00 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.90 2jor n PHE 69 Cb 0.52 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.52 2jor n PHE 69 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 2jor s PHE 70 N -0.05 -1.58 0.00 2.97 5.36 -1.26 -4.15 117.98 119.27 2jor s PHE 70 Ca 0.00 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 2jor s PHE 70 Cb 0.00 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 2jor s PHE 70 CO 0.00 -1.05 0.00 1.58 -1.46 0.00 0.00 175.22 174.29 2jor n HIS 71 N 4.45 0.00 -2.45 10.12 -0.00 -1.26 -5.13 115.22 120.95 2jor n HIS 71 Ca 0.10 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.26 2jor n HIS 71 Cb 0.57 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.43 2jor n HIS 71 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2jor n ARG 72 N -1.44 -4.48 -0.98 1.57 0.63 -1.26 -4.82 116.66 105.88 2jor n ARG 72 Ca 0.00 3.30 0.13 0.00 -0.92 0.00 0.00 57.85 60.36 2jor n ARG 72 Cb 0.00 -4.37 -0.03 0.00 0.45 0.00 0.00 32.46 28.50 2jor n ARG 72 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2jor n ASP 73 N 1.86 -6.12 -3.79 6.15 2.03 0.85 -4.95 116.55 112.58 2jor n ASP 73 Ca -0.15 1.05 -0.13 0.00 0.52 0.00 0.00 54.79 56.09 2jor n ASP 73 Cb 0.23 -3.09 -0.09 0.00 -0.72 0.00 0.00 41.12 37.45 2jor n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jor s LYS 74 N -1.75 0.62 0.00 -0.67 1.02 -1.26 -4.93 119.74 112.76 2jor s LYS 74 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.73 2jor s LYS 74 Cb 0.00 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 2jor s LYS 74 CO 0.00 -0.17 0.00 -0.25 -0.92 0.00 0.00 175.35 174.01 2jor n ASP 75 N 1.30 0.00 -4.16 2.83 8.00 -1.26 -4.84 116.55 118.42 2jor n ASP 75 Ca -0.22 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.10 2jor n ASP 75 Cb 0.56 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.74 2jor n ASP 75 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2jor n ASP 76 N 0.00 1.29 -0.69 -2.24 5.75 -1.26 -5.04 116.55 114.35 2jor n ASP 76 Ca 0.00 -2.02 -0.03 0.00 -0.01 0.00 0.00 54.79 52.72 2jor n ASP 76 Cb 0.00 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 2jor n ASP 76 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2jor n PHE 77 N -2.40 0.00 -2.84 2.11 -1.74 -1.26 -5.14 117.46 106.18 2jor n PHE 77 Ca 0.13 -0.24 0.00 0.00 -0.56 0.00 0.00 57.45 56.79 2jor n PHE 77 Cb 0.48 0.36 0.00 0.00 1.52 0.00 0.00 39.48 41.84 2jor n PHE 77 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2jor n PHE 78 N 0.00 -0.81 0.70 2.97 -1.74 -1.26 -5.26 117.46 112.06 2jor n PHE 78 Ca -0.13 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.81 2jor n PHE 78 Cb 0.52 0.00 0.33 0.00 1.52 0.00 0.00 39.48 41.85 2jor n PHE 78 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45