#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pys n ASN 3 N 0.00 -5.93 -0.05 1.61 5.03 -0.02 -4.19 115.26 111.71 2pys n ASN 3 Ca 0.00 -0.24 0.16 0.00 0.87 0.00 0.00 54.58 55.37 2pys n ASN 3 Cb 0.00 -4.78 0.58 0.00 -1.02 0.00 0.00 39.78 34.56 2pys n ASN 3 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 2pys h PHE 4 N -1.14 0.25 0.00 3.10 -5.15 -1.48 -2.32 116.94 110.21 2pys h PHE 4 Ca -0.51 0.01 -0.01 0.00 -0.20 0.00 0.00 57.97 57.26 2pys h PHE 4 Cb 1.35 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 37.44 2pys h PHE 4 CO 0.51 0.11 -0.03 0.66 -2.00 0.00 0.00 178.31 177.55 2pys h SER 5 N 0.23 0.00 1.23 -0.68 4.64 -1.86 -0.45 113.55 116.66 2pys h SER 5 Ca 0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.46 2pys h SER 5 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2pys h SER 5 CO -0.05 0.03 -0.62 1.56 -0.87 0.00 0.00 176.83 176.88 2pys h GLN 6 N 0.00 0.00 0.00 4.77 4.20 -1.81 -3.31 115.11 118.96 2pys h GLN 6 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pys h GLN 6 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2pys h GLN 6 CO 0.00 0.62 -0.33 0.00 -0.67 0.00 0.00 178.83 178.45 2pys n ALA 7 N -2.28 2.89 -2.21 3.87 0.00 -0.28 -5.01 120.51 117.49 2pys n ALA 7 Ca 0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 2pys n ALA 7 Cb 0.75 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 2pys n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pys s TYR 9 N -3.74 0.12 -1.81 0.00 -0.85 0.47 -4.78 117.35 106.76 2pys s TYR 9 Ca 0.22 -0.58 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 2pys s TYR 9 Cb 0.06 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.93 2pys s TYR 9 CO 0.02 -1.22 0.00 0.09 -1.52 0.00 0.00 175.55 172.92 2pys n ASN 10 N -0.69 -5.93 -4.76 -0.18 3.02 -1.26 -1.56 115.26 103.90 2pys n ASN 10 Ca -0.04 -0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.15 2pys n ASN 10 Cb 0.60 -4.94 0.02 0.00 -0.61 0.00 0.00 39.78 34.85 2pys n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2pys s SER 11 N -2.08 5.52 0.00 6.41 0.01 -1.26 -4.64 113.70 117.66 2pys s SER 11 Ca 0.00 2.40 -0.12 0.00 1.31 0.00 0.00 55.95 59.54 2pys s SER 11 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.64 2pys s SER 11 CO 0.00 -1.37 0.24 0.00 0.41 0.00 0.00 173.24 172.52 2pys s ALA 12 N -1.56 -0.59 -0.12 1.44 0.00 -0.17 -5.00 121.76 115.77 2pys s ALA 12 Ca 0.72 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 2pys s ALA 12 Cb -0.31 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2pys s ALA 12 CO 0.35 -0.26 -0.12 0.42 0.00 0.00 0.00 175.76 176.14 2pys s ILE 13 N -1.54 3.12 -0.13 0.00 -1.09 -1.26 -1.46 121.20 118.84 2pys s ILE 13 Ca -0.13 -0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 57.63 2pys s ILE 13 Cb -0.05 -2.30 0.04 0.00 -1.58 0.00 0.00 42.46 38.56 2pys s ILE 13 CO 0.02 0.53 0.02 -1.10 -1.23 0.00 0.00 174.94 173.19 2pys s GLN 14 N 0.24 0.55 7.98 2.79 1.11 -0.57 -4.74 119.66 127.02 2pys s GLN 14 Ca -0.08 -0.10 0.00 0.00 0.01 0.00 0.00 55.36 55.19 2pys s GLN 14 Cb -0.15 -1.46 0.00 0.00 -1.01 0.00 0.00 33.01 30.39 2pys s GLN 14 CO 0.05 -0.46 0.00 0.41 0.01 0.00 0.00 175.29 175.30 2pys n GLY 15 N 5.13 3.81 0.98 3.09 0.00 -1.26 -1.27 105.19 115.66 2pys n GLY 15 Ca -0.08 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2pys n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pys n SER 16 N 6.18 3.17 -4.61 1.61 3.41 -1.26 -4.77 113.62 117.35 2pys n SER 16 Ca 0.00 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.29 2pys n SER 16 Cb 0.00 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 2pys n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pys s VAL 17 N -1.32 5.09 -0.17 -3.33 1.01 -0.40 -0.68 120.40 120.59 2pys s VAL 17 Ca 0.33 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 62.81 2pys s VAL 17 Cb 0.19 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2pys s VAL 17 CO 0.27 0.07 0.78 -0.22 0.00 0.00 0.00 175.10 175.99 2pys s LEU 18 N 2.26 4.17 -0.00 3.92 2.96 -0.29 -1.51 118.68 130.19 2pys s LEU 18 Ca 0.19 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.22 2pys s LEU 18 Cb -0.16 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 2pys s LEU 18 CO 0.10 -0.36 -0.06 0.42 -1.32 0.00 0.00 176.35 175.13 2pys s THR 19 N 2.05 3.72 0.01 3.68 -4.23 -0.53 -0.44 115.64 119.89 2pys s THR 19 Ca 0.36 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 59.86 2pys s THR 19 Cb -0.16 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.13 2pys s THR 19 CO 0.12 0.41 0.68 -0.55 -0.54 0.00 0.00 174.62 174.74 2pys s SER 20 N -1.38 -0.61 -0.27 3.99 0.15 -0.57 -1.00 113.70 114.01 2pys s SER 20 Ca 0.17 0.45 -0.10 0.00 0.70 0.00 0.00 55.95 57.17 2pys s SER 20 Cb -0.11 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2pys s SER 20 CO 0.07 -0.71 0.16 -0.89 1.20 0.00 0.00 173.24 173.07 2pys s THR 21 N -2.06 5.06 0.06 6.45 2.01 -0.60 -0.10 115.64 126.45 2pys s THR 21 Ca -0.06 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.07 2pys s THR 21 Cb -0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2pys s THR 21 CO 0.02 0.27 -0.17 0.00 -0.69 0.00 0.00 174.62 174.04 2pys s ILE 23 N -0.95 3.06 0.03 0.00 2.07 -0.07 -1.36 121.20 123.98 2pys s ILE 23 Ca 0.04 0.73 0.08 0.00 -1.41 0.00 0.00 60.65 60.09 2pys s ILE 23 Cb -0.09 -3.34 -0.03 0.00 0.13 0.00 0.00 42.46 39.13 2pys s ILE 23 CO 0.02 -0.07 -0.23 -0.13 -1.91 0.00 0.00 174.94 172.62 2pys s ARG 24 N -2.96 1.95 0.61 3.50 0.52 -0.17 -2.50 118.95 119.90 2pys s ARG 24 Ca 0.68 -1.03 0.31 0.00 -0.52 0.00 0.00 55.73 55.17 2pys s ARG 24 Cb -0.27 -2.07 1.76 0.00 0.52 0.00 0.00 34.95 34.88 2pys s ARG 24 CO 0.32 0.53 2.11 1.79 0.02 0.00 0.00 175.30 180.07 2pys h THR 25 N 4.17 0.34 -0.05 0.02 1.35 -1.88 0.15 112.91 117.02 2pys h THR 25 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2pys h THR 25 Cb 1.14 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2pys h THR 25 CO 0.45 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.26 2pys n ASN 26 N -3.58 0.29 0.00 5.36 0.23 -1.26 -4.87 115.26 111.43 2pys n ASN 26 Ca 0.01 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 2pys n ASN 26 Cb 0.30 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 2pys n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pys n GLY 27 N 0.68 2.71 0.00 4.83 0.00 0.04 -5.04 105.19 108.41 2pys n GLY 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2pys n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pys n GLY 28 N -2.00 -0.44 3.35 -0.02 0.00 -1.25 -4.81 105.19 100.02 2pys n GLY 28 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 2pys n GLY 28 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pys s TYR 29 N 0.17 -0.02 -0.01 1.61 -0.85 -1.26 -1.00 117.35 115.98 2pys s TYR 29 Ca 0.00 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 2pys s TYR 29 Cb 0.00 0.18 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 2pys s TYR 29 CO 0.00 -0.73 -0.07 1.21 -1.52 0.00 0.00 175.55 174.44 2pys s ASN 30 N -2.86 0.89 -0.34 -0.18 2.47 -0.47 -4.91 114.94 109.55 2pys s ASN 30 Ca 0.07 -0.14 -0.21 0.00 0.42 0.00 0.00 52.86 53.01 2pys s ASN 30 Cb 0.02 -0.17 -0.00 0.00 -1.45 0.00 0.00 41.25 39.64 2pys s ASN 30 CO -0.08 0.06 0.64 0.42 -3.72 0.00 0.00 177.10 174.43 2pys s THR 31 N 0.04 4.90 0.29 -5.21 -4.23 -1.26 -0.93 115.64 109.23 2pys s THR 31 Ca -0.00 0.70 0.11 0.00 -1.18 0.00 0.00 61.69 61.31 2pys s THR 31 Cb -0.05 -4.06 -0.05 0.00 1.34 0.00 0.00 72.50 69.68 2pys s THR 31 CO -0.00 -0.26 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.17 2pys s SER 32 N 1.74 4.03 -0.04 3.99 0.15 0.85 -4.97 113.70 119.45 2pys s SER 32 Ca 0.25 -0.89 -0.12 0.00 0.70 0.00 0.00 55.95 55.89 2pys s SER 32 Cb -0.15 -0.53 0.02 0.00 -1.71 0.00 0.00 66.02 63.65 2pys s SER 32 CO 0.14 -0.02 0.26 -0.94 1.20 0.00 0.00 173.24 173.88 2pys s SER 33 N -3.60 -0.17 0.00 5.45 1.04 -1.26 -1.51 113.70 113.65 2pys s SER 33 Ca 0.31 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2pys s SER 33 Cb -0.05 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 2pys s SER 33 CO 0.17 -0.33 -0.01 -0.51 0.98 0.00 0.00 173.24 173.55 2pys s ILE 34 N -0.90 0.03 -0.54 -1.02 2.07 0.41 -4.82 121.20 116.42 2pys s ILE 34 Ca -0.10 -0.14 -0.22 0.00 -1.41 0.00 0.00 60.65 58.78 2pys s ILE 34 Cb -0.05 -0.06 0.05 0.00 0.13 0.00 0.00 42.46 42.54 2pys s ILE 34 CO 0.03 -0.07 0.81 -0.62 -1.91 0.00 0.00 174.94 173.18 2pys s ASP 35 N -0.22 6.28 0.30 4.50 2.15 -1.26 -1.14 116.67 127.28 2pys s ASP 35 Ca -0.02 -0.65 0.25 0.00 0.43 0.00 0.00 52.55 52.56 2pys s ASP 35 Cb -0.02 -2.37 1.00 0.00 -0.30 0.00 0.00 42.92 41.23 2pys s ASP 35 CO -0.00 -1.11 1.76 -0.07 -0.17 0.00 0.00 175.17 175.58 2pys h LEU 36 N 10.47 0.00 -2.11 -1.34 3.38 -1.29 -2.98 115.31 121.44 2pys h LEU 36 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2pys h LEU 36 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2pys h LEU 36 CO 1.05 0.00 0.00 -1.13 0.09 0.00 0.00 178.44 178.45 2pys h ASN 37 N 0.00 0.00 0.96 -0.43 -1.24 -1.87 -1.68 115.58 111.32 2pys h ASN 37 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2pys h ASN 37 Cb 0.45 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 2pys h ASN 37 CO 0.00 0.00 -0.01 0.77 -1.29 0.00 0.00 177.43 176.90 2pys h SER 38 N 0.00 0.00 0.00 1.15 4.64 -1.85 -1.05 113.55 116.44 2pys h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pys h SER 38 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2pys h SER 38 CO 0.00 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 2pys n VAL 39 N -3.12 0.02 -4.95 0.95 0.24 -0.68 -4.40 118.33 106.40 2pys n VAL 39 Ca 0.00 -0.18 -0.28 0.00 -2.04 0.00 0.00 64.34 61.85 2pys n VAL 39 Cb 0.30 1.60 -0.16 0.00 -1.47 0.00 0.00 33.84 34.11 2pys n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2pys s ILE 40 N -0.02 1.61 -0.01 1.34 1.01 -0.76 -3.55 121.20 120.82 2pys s ILE 40 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.90 2pys s ILE 40 Cb 0.00 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2pys s ILE 40 CO 0.00 0.46 -0.18 -0.70 0.00 0.00 0.00 174.94 174.52 2pys s GLU 41 N 0.07 2.26 -0.60 2.79 2.12 0.27 -2.79 118.70 122.81 2pys s GLU 41 Ca -0.06 -0.85 -0.25 0.00 0.36 0.00 0.00 54.97 54.17 2pys s GLU 41 Cb -0.13 -2.24 0.04 0.00 0.26 0.00 0.00 34.13 32.07 2pys s GLU 41 CO 0.03 0.58 1.03 1.21 -0.54 0.00 0.00 175.26 177.58 2pys s ASN 42 N -0.98 6.30 -0.47 -1.70 2.47 -1.26 -1.20 114.94 118.10 2pys s ASN 42 Ca 0.12 -0.43 -0.12 0.00 0.42 0.00 0.00 52.86 52.86 2pys s ASN 42 Cb -0.10 -2.47 0.10 0.00 -1.45 0.00 0.00 41.25 37.33 2pys s ASN 42 CO 0.02 -1.40 0.37 -0.69 -3.72 0.00 0.00 177.10 171.68 2pys s VAL 43 N 4.39 4.70 -1.43 -5.21 1.01 -0.01 -4.64 120.40 119.21 2pys s VAL 43 Ca 0.31 -1.43 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 2pys s VAL 43 Cb -0.12 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.36 2pys s VAL 43 CO 0.18 -0.67 0.63 -0.67 0.00 0.00 0.00 175.10 174.56 2pys n ASP 44 N 5.06 -4.99 0.00 3.32 2.03 -1.26 -1.83 116.55 118.89 2pys n ASP 44 Ca -0.11 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.80 2pys n ASP 44 Cb 0.42 -4.05 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 2pys n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pys n GLY 45 N -1.42 1.69 3.59 0.27 0.00 -1.14 -4.42 105.19 103.76 2pys n GLY 45 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2pys n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pys s SER 46 N -1.55 5.24 0.09 1.61 0.01 -0.76 -4.46 113.70 113.88 2pys s SER 46 Ca 0.00 0.02 -0.31 0.00 1.31 0.00 0.00 55.95 56.97 2pys s SER 46 Cb 0.00 -1.81 -0.07 0.00 0.21 0.00 0.00 66.02 64.35 2pys s SER 46 CO 0.00 0.21 1.38 -0.76 0.41 0.00 0.00 173.24 174.48 2pys s LEU 47 N 0.11 4.36 0.03 2.44 1.43 -1.26 -0.83 118.68 124.97 2pys s LEU 47 Ca 0.02 2.27 -0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2pys s LEU 47 Cb -0.13 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2pys s LEU 47 CO 0.02 -0.65 -0.03 -0.54 0.23 0.00 0.00 176.35 175.38 2pys s LYS 48 N 1.29 0.42 0.85 1.70 -0.14 -0.34 -4.81 119.74 118.71 2pys s LYS 48 Ca 0.64 -0.80 -0.12 0.00 -1.36 0.00 0.00 55.97 54.33 2pys s LYS 48 Cb -0.35 0.10 0.13 0.00 -1.68 0.00 0.00 37.83 36.03 2pys s LYS 48 CO 0.30 -0.06 1.20 -1.58 -0.76 0.00 0.00 175.35 174.45 2pys s TRP 49 N -2.18 2.22 -0.59 3.18 0.52 -1.26 -0.57 118.94 120.26 2pys s TRP 49 Ca -0.09 0.42 -0.01 0.00 0.02 0.00 0.00 56.10 56.44 2pys s TRP 49 Cb -0.05 -3.69 0.00 0.00 -1.15 0.00 0.00 33.47 28.59 2pys s TRP 49 CO -0.03 -2.11 0.12 1.04 0.02 0.00 0.00 176.95 175.99 2pys n GLN 50 N -3.42 -1.24 -0.91 4.98 1.13 -1.23 -4.72 117.38 111.97 2pys n GLN 50 Ca 0.12 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 2pys n GLN 50 Cb 0.60 -4.10 0.00 0.00 0.11 0.00 0.00 30.24 26.85 2pys n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pys n GLY 51 N -1.01 1.75 3.41 1.08 0.00 -1.26 -4.99 105.19 104.16 2pys n GLY 51 Ca -0.06 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 2pys n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pys s SER 52 N -0.09 0.71 0.00 1.61 0.01 -1.24 -1.82 113.70 112.88 2pys s SER 52 Ca 0.00 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2pys s SER 52 Cb 0.00 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2pys s SER 52 CO 0.00 -1.13 0.00 0.59 0.41 0.00 0.00 173.24 173.11 2pys n ASN 53 N -1.01 -2.80 -0.21 2.44 3.02 -0.40 -4.33 115.26 111.98 2pys n ASN 53 Ca 0.02 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.80 2pys n ASN 53 Cb 0.63 -0.47 0.60 0.00 -0.61 0.00 0.00 39.78 39.94 2pys n ASN 53 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2pys h PHE 54 N 0.00 0.30 0.00 3.10 -5.15 -1.75 -2.56 116.94 110.88 2pys h PHE 54 Ca 0.00 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.76 2pys h PHE 54 Cb 0.00 -0.09 -0.00 0.00 0.22 0.00 0.00 35.95 36.08 2pys h PHE 54 CO 0.00 0.07 -0.08 0.97 -2.00 0.00 0.00 178.31 177.28 2pys h ILE 55 N 0.22 0.68 0.00 0.88 6.09 -1.89 -2.07 117.51 121.43 2pys h ILE 55 Ca 0.45 -0.30 -0.02 0.00 -1.37 0.00 0.00 64.86 63.61 2pys h ILE 55 Cb 1.39 1.18 -0.00 0.00 0.47 0.00 0.00 36.82 39.86 2pys h ILE 55 CO -0.11 0.07 -0.09 -0.33 -3.07 0.00 0.00 178.15 174.62 2pys h GLU 56 N 0.00 0.00 0.00 2.19 5.08 -1.88 -3.22 114.58 116.75 2pys h GLU 56 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pys h GLU 56 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2pys h GLU 56 CO 0.01 0.09 -0.21 0.25 -1.00 0.00 0.00 179.01 178.15 2pys n THR 57 N -3.73 0.72 -4.29 1.13 -2.24 -0.87 -5.06 114.28 99.94 2pys n THR 57 Ca -0.02 -0.85 -0.18 0.00 -2.27 0.00 0.00 64.05 60.73 2pys n THR 57 Cb 0.20 0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 2pys n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pys s ARG 59 N -3.20 1.05 -1.06 0.00 1.70 0.17 -4.86 118.95 112.74 2pys s ARG 59 Ca 0.16 -1.51 -0.04 0.00 -0.47 0.00 0.00 55.73 53.87 2pys s ARG 59 Cb -0.02 -0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 2pys s ARG 59 CO 0.05 -0.21 0.91 0.09 -1.08 0.00 0.00 175.30 175.06 2pys n ASN 60 N -0.19 -4.10 -4.77 -2.89 3.02 -1.26 -1.64 115.26 103.42 2pys n ASN 60 Ca -0.05 -0.47 -0.38 0.00 -0.03 0.00 0.00 54.58 53.64 2pys n ASN 60 Cb 0.64 -4.26 -0.01 0.00 -0.61 0.00 0.00 39.78 35.54 2pys n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2pys s THR 61 N -3.28 2.94 0.02 3.41 -4.23 -1.26 -4.38 115.64 108.86 2pys s THR 61 Ca 0.28 0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 61.41 2pys s THR 61 Cb -0.12 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.31 2pys s THR 61 CO 0.60 0.07 0.35 -1.10 -0.54 0.00 0.00 174.62 173.99 2pys s GLN 62 N -2.37 0.80 -0.15 3.99 -0.21 -0.28 -4.79 119.66 116.66 2pys s GLN 62 Ca 0.59 -0.33 -0.18 0.00 0.02 0.00 0.00 55.36 55.45 2pys s GLN 62 Cb -0.33 0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 2pys s GLN 62 CO 0.41 -0.25 0.48 -1.17 -2.12 0.00 0.00 175.29 172.64 2pys s LEU 63 N -1.77 4.23 -0.13 2.90 2.96 -1.26 -0.81 118.68 124.81 2pys s LEU 63 Ca -0.08 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2pys s LEU 63 Cb -0.02 -2.68 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2pys s LEU 63 CO 0.00 -0.05 -0.16 0.00 -1.32 0.00 0.00 176.35 174.83 2pys s ALA 64 N 0.92 2.51 0.00 5.97 0.00 0.39 -4.96 121.76 126.59 2pys s ALA 64 Ca 0.25 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2pys s ALA 64 Cb -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2pys s ALA 64 CO 0.10 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.46 2pys n GLY 65 N 3.64 1.79 0.16 0.00 0.00 -1.26 -1.89 105.19 107.64 2pys n GLY 65 Ca -0.18 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.43 2pys n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pys h SER 66 N 8.72 0.00 0.00 1.61 0.02 -2.00 -3.42 113.55 118.48 2pys h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pys h SER 66 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2pys h SER 66 CO 0.00 0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 174.25 2pys n SER 67 N -2.93 0.00 -4.66 3.07 3.41 -1.23 -4.83 113.62 106.44 2pys n SER 67 Ca 0.01 -1.00 -0.39 0.00 -0.26 0.00 0.00 58.87 57.23 2pys n SER 67 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 2pys n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pys s GLU 68 N 0.00 4.18 -0.19 4.33 2.56 -0.79 -0.37 118.70 128.42 2pys s GLU 68 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 54.97 55.09 2pys s GLU 68 Cb 0.00 -3.56 -0.02 0.00 2.00 0.00 0.00 34.13 32.55 2pys s GLU 68 CO 0.00 -0.13 0.77 -1.17 -0.56 0.00 0.00 175.26 174.18 2pys s LEU 69 N 1.58 4.16 0.04 2.70 2.96 0.05 -0.47 118.68 129.70 2pys s LEU 69 Ca 0.23 1.06 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 2pys s LEU 69 Cb -0.15 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2pys s LEU 69 CO 0.09 -0.38 -0.10 0.00 -1.32 0.00 0.00 176.35 174.65 2pys s ALA 70 N 2.16 2.91 0.34 5.97 0.00 0.01 -1.35 121.76 131.79 2pys s ALA 70 Ca 0.35 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 2pys s ALA 70 Cb -0.16 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.01 2pys s ALA 70 CO 0.11 0.61 0.72 0.00 0.00 0.00 0.00 175.76 177.21 2pys s ALA 71 N -1.04 -0.75 -0.12 0.00 0.00 -0.50 -1.12 121.76 118.21 2pys s ALA 71 Ca 0.18 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2pys s ALA 71 Cb -0.11 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2pys s ALA 71 CO 0.09 -0.98 -0.19 -1.21 0.00 0.00 0.00 175.76 173.47 2pys s GLU 72 N -3.01 3.17 0.07 0.00 2.02 -0.65 -1.00 118.70 119.29 2pys s GLU 72 Ca 0.16 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.39 2pys s GLU 72 Cb -0.05 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 2pys s GLU 72 CO 0.10 0.13 -0.12 0.00 0.02 0.00 0.00 175.26 175.40 2pys s LYS 74 N -1.97 4.51 1.01 0.00 1.02 -0.35 -1.44 119.74 122.51 2pys s LYS 74 Ca -0.02 1.11 -0.15 0.00 0.02 0.00 0.00 55.97 56.93 2pys s LYS 74 Cb -0.08 -3.40 0.20 0.00 -0.52 0.00 0.00 37.83 34.02 2pys s LYS 74 CO 0.01 0.16 1.18 0.95 -0.92 0.00 0.00 175.35 176.73 2pys s THR 75 N 0.36 1.88 0.42 2.17 -4.23 0.26 -2.88 115.64 113.62 2pys s THR 75 Ca 0.41 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.02 2pys s THR 75 Cb -0.20 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.12 2pys s THR 75 CO 0.23 0.00 2.00 0.03 -0.54 0.00 0.00 174.62 176.34 2pys h ARG 76 N -1.86 0.30 -0.32 3.99 3.08 -1.90 -0.40 114.38 117.27 2pys h ARG 76 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2pys h ARG 76 Cb 1.30 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2pys h ARG 76 CO 0.48 0.31 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 2pys n ALA 77 N -2.49 2.51 -2.16 0.04 0.00 -1.26 -4.91 120.51 112.24 2pys n ALA 77 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 2pys n ALA 77 Cb 0.17 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2pys n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pys n GLN 78 N -0.28 -0.91 -4.30 0.00 1.13 -0.16 -5.04 117.38 107.82 2pys n GLN 78 Ca 0.01 0.58 -0.25 0.00 -1.94 0.00 0.00 57.00 55.41 2pys n GLN 78 Cb 0.11 -4.71 -0.08 0.00 0.11 0.00 0.00 30.24 25.66 2pys n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2pys s GLN 79 N -4.47 2.17 -0.05 -1.09 -0.21 -1.26 -4.85 119.66 109.91 2pys s GLN 79 Ca 0.00 -1.38 -0.14 0.00 0.02 0.00 0.00 55.36 53.87 2pys s GLN 79 Cb 0.00 -2.14 -0.05 0.00 1.00 0.00 0.00 33.01 31.82 2pys s GLN 79 CO 0.00 0.39 0.35 -0.06 -2.12 0.00 0.00 175.29 173.85 2pys s PHE 80 N -2.09 3.66 0.10 0.91 0.08 -1.26 -0.57 117.98 118.81 2pys s PHE 80 Ca 0.29 0.86 0.04 0.00 0.12 0.00 0.00 56.93 58.24 2pys s PHE 80 Cb -0.07 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2pys s PHE 80 CO 0.18 0.58 -0.11 0.14 -0.10 0.00 0.00 175.22 175.91 2pys s VAL 81 N -0.77 1.05 0.17 -0.44 -7.23 -0.52 -4.96 120.40 107.69 2pys s VAL 81 Ca 0.22 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.54 2pys s VAL 81 Cb -0.15 -1.41 -0.08 0.00 0.56 0.00 0.00 36.38 35.30 2pys s VAL 81 CO 0.10 -0.53 0.65 -0.44 -0.31 0.00 0.00 175.10 174.58 2pys s SER 82 N -2.46 7.00 0.13 4.85 0.01 -1.26 -1.07 113.70 120.90 2pys s SER 82 Ca 0.07 1.30 -0.10 0.00 1.31 0.00 0.00 55.95 58.52 2pys s SER 82 Cb -0.03 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2pys s SER 82 CO 0.01 0.10 0.27 0.28 0.41 0.00 0.00 173.24 174.31 2pys s THR 83 N -1.42 0.10 0.12 1.44 -1.32 -0.17 -4.95 115.64 109.43 2pys s THR 83 Ca 0.39 -1.15 -0.14 0.00 -1.21 0.00 0.00 61.69 59.58 2pys s THR 83 Cb -0.17 -1.52 0.02 0.00 -1.51 0.00 0.00 72.50 69.33 2pys s THR 83 CO 0.20 -0.44 0.34 -1.59 -2.21 0.00 0.00 174.62 170.92 2pys s LYS 84 N -3.89 1.00 -0.14 7.08 -2.85 -1.26 -1.41 119.74 118.27 2pys s LYS 84 Ca 0.09 -0.79 -0.13 0.00 -1.00 0.00 0.00 55.97 54.15 2pys s LYS 84 Cb 0.04 0.43 0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2pys s LYS 84 CO -0.07 -0.37 0.37 -1.50 0.10 0.00 0.00 175.35 173.88 2pys s ILE 85 N -3.82 -0.00 -0.43 3.79 2.07 -0.46 -4.66 121.20 117.69 2pys s ILE 85 Ca 0.04 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.03 2pys s ILE 85 Cb 0.03 -0.52 0.02 0.00 0.13 0.00 0.00 42.46 42.12 2pys s ILE 85 CO -0.12 0.00 0.90 0.21 -1.91 0.00 0.00 174.94 174.03 2pys s ASN 86 N 0.22 6.54 0.52 4.50 3.84 -1.26 -0.77 114.94 128.53 2pys s ASN 86 Ca -0.00 0.23 0.28 0.00 0.21 0.00 0.00 52.86 53.59 2pys s ASN 86 Cb -0.03 -2.44 1.41 0.00 -0.55 0.00 0.00 41.25 39.64 2pys s ASN 86 CO 0.00 -0.97 2.04 -0.07 -2.79 0.00 0.00 177.10 175.31 2pys h LEU 87 N 10.35 0.00 -1.49 3.21 3.38 -1.08 -2.06 115.31 127.62 2pys h LEU 87 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2pys h LEU 87 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2pys h LEU 87 CO 1.00 0.12 0.00 0.44 0.09 0.00 0.00 178.44 180.09 2pys h ASP 88 N 0.00 0.00 -0.48 -0.43 3.32 -1.82 0.33 116.42 117.35 2pys h ASP 88 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2pys h ASP 88 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2pys h ASP 88 CO 0.02 0.00 0.11 0.44 -1.72 0.00 0.00 179.24 178.09 2pys h ASP 89 N 0.00 0.77 0.00 6.45 3.32 -1.75 -0.02 116.42 125.19 2pys h ASP 89 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2pys h ASP 89 Cb 0.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2pys h ASP 89 CO 0.00 0.77 0.00 1.41 -1.72 0.00 0.00 179.24 179.70 2pys n HIS 90 N -4.27 0.00 -3.40 4.55 8.25 -0.98 -4.33 115.22 115.05 2pys n HIS 90 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 2pys n HIS 90 Cb 0.24 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.25 2pys n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2pys s ILE 91 N 0.00 5.17 0.38 1.59 -1.09 0.11 -0.51 121.20 126.86 2pys s ILE 91 Ca 0.00 0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.88 2pys s ILE 91 Cb 0.00 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2pys s ILE 91 CO 0.00 0.08 0.21 0.00 -1.23 0.00 0.00 174.94 174.00 2pys s ALA 92 N 2.05 3.66 -0.17 9.38 0.00 -0.36 -1.29 121.76 135.04 2pys s ALA 92 Ca 0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.15 2pys s ALA 92 Cb -0.16 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 2pys s ALA 92 CO 0.11 -0.10 -0.13 0.00 0.00 0.00 0.00 175.76 175.64 2pys s ALA 93 N -2.49 2.58 -0.25 0.00 0.00 -1.26 -0.96 121.76 119.37 2pys s ALA 93 Ca 0.41 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2pys s ALA 93 Cb -0.00 -1.34 0.06 0.00 0.00 0.00 0.00 23.12 21.84 2pys s ALA 93 CO 0.24 -0.11 -0.10 0.42 0.00 0.00 0.00 175.76 176.20 2pys s ILE 94 N 0.95 2.01 -1.53 0.00 -1.09 0.13 -4.73 121.20 116.94 2pys s ILE 94 Ca -0.02 -1.51 -0.02 0.00 -2.23 0.00 0.00 60.65 56.86 2pys s ILE 94 Cb -0.15 -2.15 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 2pys s ILE 94 CO -0.01 -0.03 0.20 -0.67 -1.23 0.00 0.00 174.94 173.20 2pys n ASP 95 N 4.49 0.24 0.00 3.58 2.03 -1.26 -1.85 116.55 123.78 2pys n ASP 95 Ca -0.14 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 53.99 2pys n ASP 95 Cb 0.43 -2.11 0.00 0.00 -0.72 0.00 0.00 41.12 38.72 2pys n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pys n GLY 96 N -2.27 0.81 3.25 0.27 0.00 -1.04 -4.81 105.19 101.40 2pys n GLY 96 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2pys n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pys s THR 97 N -3.04 2.53 0.21 2.61 2.01 -0.77 -4.54 115.64 114.66 2pys s THR 97 Ca 0.00 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 2pys s THR 97 Cb 0.00 -2.05 -0.10 0.00 0.01 0.00 0.00 72.50 70.36 2pys s THR 97 CO 0.00 0.52 1.44 -0.76 -0.69 0.00 0.00 174.62 175.13 2pys s LEU 98 N 0.78 4.39 -0.07 4.42 1.43 -1.26 -0.69 118.68 127.67 2pys s LEU 98 Ca -0.06 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 2pys s LEU 98 Cb -0.15 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.48 2pys s LEU 98 CO 0.00 -0.70 0.27 -0.54 0.23 0.00 0.00 176.35 175.61 2pys s LYS 99 N 0.09 0.42 0.16 1.70 -0.14 -0.13 -4.88 119.74 116.96 2pys s LYS 99 Ca 0.61 0.16 -0.30 0.00 -1.36 0.00 0.00 55.97 55.08 2pys s LYS 99 Cb -0.41 0.20 -0.07 0.00 -1.68 0.00 0.00 37.83 35.86 2pys s LYS 99 CO 0.39 -0.08 1.12 -0.47 -0.76 0.00 0.00 175.35 175.55 2pys s TYR 100 N -0.38 3.55 -0.03 3.18 5.04 -1.26 -1.23 117.35 126.22 2pys s TYR 100 Ca -0.05 1.54 0.04 0.00 -2.44 0.00 0.00 57.07 56.16 2pys s TYR 100 Cb -0.03 -3.31 -0.00 0.00 0.35 0.00 0.00 41.96 38.96 2pys s TYR 100 CO 0.01 -0.76 -0.16 -1.21 -1.34 0.00 0.00 175.55 172.10 2pys s GLU 101 N -0.11 1.56 0.00 4.97 2.02 0.33 -4.94 118.70 122.53 2pys s GLU 101 Ca 0.51 -0.56 0.17 0.00 0.02 0.00 0.00 54.97 55.11 2pys s GLU 101 Cb -0.30 -1.40 0.13 0.00 0.10 0.00 0.00 34.13 32.67 2pys s GLU 101 CO 0.34 0.25 1.03 -0.11 0.02 0.00 0.00 175.26 176.79