#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sk1 s ILE 4 N 0.00 1.36 -0.04 -1.44 1.01 -1.26 -3.82 121.20 117.01 1sk1 s ILE 4 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1sk1 s ILE 4 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1sk1 s ILE 4 CO 0.00 0.39 -0.19 -0.89 0.00 0.00 0.00 174.94 174.25 1sk1 s THR 5 N -0.15 1.58 -0.08 2.92 2.01 0.00 -0.76 115.64 121.16 1sk1 s THR 5 Ca 0.01 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1sk1 s THR 5 Cb -0.09 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.09 1sk1 s THR 5 CO 0.01 0.45 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.69 1sk1 s ILE 6 N -0.17 1.61 -0.57 1.82 2.07 -0.48 -0.40 121.20 125.07 1sk1 s ILE 6 Ca 0.00 -0.76 -0.24 0.00 -1.41 0.00 0.00 60.65 58.25 1sk1 s ILE 6 Cb -0.11 -1.42 0.05 0.00 0.13 0.00 0.00 42.46 41.11 1sk1 s ILE 6 CO 0.01 0.46 0.94 -0.31 -1.91 0.00 0.00 174.94 174.14 1sk1 s TYR 7 N 0.49 2.77 -0.03 3.50 1.51 0.19 -1.28 117.35 124.49 1sk1 s TYR 7 Ca -0.17 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1sk1 s TYR 7 Cb -0.17 -4.11 -0.03 0.00 -0.11 0.00 0.00 41.96 37.55 1sk1 s TYR 7 CO 0.06 -1.41 -0.17 -1.58 -1.11 0.00 0.00 175.55 171.34 1sk1 s HIS 8 N 3.96 2.61 -0.32 2.71 2.46 0.01 -3.12 115.29 123.61 1sk1 s HIS 8 Ca 0.28 -0.23 0.03 0.00 0.47 0.00 0.00 55.06 55.62 1sk1 s HIS 8 Cb -0.13 -1.58 0.09 0.00 -0.13 0.00 0.00 32.58 30.83 1sk1 s HIS 8 CO 0.17 0.15 0.01 1.21 -2.47 0.00 0.00 174.74 173.81 1sk1 s ASN 9 N -0.83 4.70 0.55 9.88 3.84 -1.26 -3.91 114.94 127.90 1sk1 s ASN 9 Ca 0.12 -1.89 0.37 0.00 0.21 0.00 0.00 52.86 51.67 1sk1 s ASN 9 Cb -0.10 -1.62 1.99 0.00 -0.55 0.00 0.00 41.25 40.97 1sk1 s ASN 9 CO 0.01 -0.32 2.12 1.55 -2.79 0.00 0.00 177.10 177.66 1sk1 h PRO 10 N 7.69 0.00 -3.30 0.43 0.13 -1.98 -3.41 132.00 131.56 1sk1 h PRO 10 Ca -0.10 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.31 1sk1 h PRO 10 Cb 1.03 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.08 1sk1 h PRO 10 CO 0.51 0.00 2.80 0.00 -0.23 0.00 0.00 178.00 181.09 1sk1 n ALA 11 N -1.97 6.25 0.00 -0.56 0.00 -1.26 -4.83 120.51 118.14 1sk1 n ALA 11 Ca -0.02 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1sk1 n ALA 11 Cb 0.06 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.35 1sk1 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sk1 n GLY 13 N 3.03 0.00 0.37 0.00 0.00 -1.26 -5.07 105.19 102.26 1sk1 n GLY 13 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1sk1 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sk1 h THR 14 N 0.00 1.17 -0.31 2.61 2.02 -1.94 0.14 112.91 116.60 1sk1 h THR 14 Ca 0.00 -0.43 -0.14 0.00 0.77 0.00 0.00 66.41 66.61 1sk1 h THR 14 Cb 0.97 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1sk1 h THR 14 CO 0.00 0.23 -0.37 -1.28 0.37 0.00 0.00 175.52 174.47 1sk1 h SER 15 N 1.25 0.86 -0.45 4.18 0.87 -1.84 -1.47 113.55 116.95 1sk1 h SER 15 Ca 0.40 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1sk1 h SER 15 Cb 0.01 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1sk1 h SER 15 CO -0.13 1.18 0.24 0.03 -0.53 0.00 0.00 176.83 177.62 1sk1 h ARG 16 N 0.56 0.63 -0.84 2.24 3.08 -1.66 -0.39 114.38 117.99 1sk1 h ARG 16 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1sk1 h ARG 16 Cb 0.96 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 1sk1 h ARG 16 CO 0.09 0.50 0.46 -0.91 -1.07 0.00 0.00 179.97 179.03 1sk1 h ASN 17 N 0.59 1.06 -0.52 7.04 2.35 -0.63 -1.41 115.58 124.05 1sk1 h ASN 17 Ca 0.16 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1sk1 h ASN 17 Cb 0.06 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1sk1 h ASN 17 CO -0.03 0.86 0.29 0.74 -1.65 0.00 0.00 177.43 177.64 1sk1 h THR 18 N 1.17 1.18 -0.74 2.81 2.02 -1.00 -0.25 112.91 118.10 1sk1 h THR 18 Ca 0.30 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1sk1 h THR 18 Cb 0.04 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1sk1 h THR 18 CO -0.05 0.19 0.41 0.25 0.37 0.00 0.00 175.52 176.69 1sk1 h LEU 19 N 0.70 0.93 -0.84 2.58 5.85 -0.72 -0.97 115.31 122.84 1sk1 h LEU 19 Ca 0.18 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1sk1 h LEU 19 Cb 0.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1sk1 h LEU 19 CO -0.03 0.76 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.11 1sk1 h GLU 20 N 1.02 0.38 -0.33 1.25 4.39 -1.01 -1.45 114.58 118.84 1sk1 h GLU 20 Ca 0.26 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1sk1 h GLU 20 Cb 0.03 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1sk1 h GLU 20 CO -0.04 0.72 -0.13 0.52 -1.16 0.00 0.00 179.01 178.92 1sk1 h MET 21 N 0.32 0.57 0.03 2.33 2.86 -0.38 0.42 114.93 121.09 1sk1 h MET 21 Ca 0.03 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1sk1 h MET 21 Cb 0.83 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1sk1 h MET 21 CO 0.07 0.69 -0.02 0.82 1.06 0.00 0.00 176.91 179.53 1sk1 h ILE 22 N 0.52 1.02 -0.87 -1.22 2.04 -0.81 -2.33 117.51 115.86 1sk1 h ILE 22 Ca 0.09 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1sk1 h ILE 22 Cb 0.53 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1sk1 h ILE 22 CO 0.03 0.05 0.57 0.03 0.00 0.00 0.00 178.15 178.83 1sk1 h ARG 23 N -0.12 0.99 0.00 2.37 3.08 -1.07 -0.62 114.38 119.01 1sk1 h ARG 23 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1sk1 h ARG 23 Cb 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1sk1 h ARG 23 CO 0.01 0.66 0.00 -1.71 -1.07 0.00 0.00 179.97 177.85 1sk1 n ASN 24 N -4.47 0.08 -0.36 7.04 4.05 0.12 -0.93 115.26 120.79 1sk1 n ASN 24 Ca 0.13 0.52 0.14 0.00 0.45 0.00 0.00 54.58 55.81 1sk1 n ASN 24 Cb 0.17 -0.54 0.51 0.00 1.23 0.00 0.00 39.78 41.15 1sk1 n ASN 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1sk1 n SER 25 N -1.59 1.21 0.00 1.20 3.41 -0.24 -0.80 113.62 116.80 1sk1 n SER 25 Ca 0.03 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1sk1 n SER 25 Cb 0.17 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1sk1 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sk1 n GLY 26 N 1.22 0.87 3.13 5.00 0.00 -0.11 -4.73 105.19 110.58 1sk1 n GLY 26 Ca 0.17 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1sk1 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sk1 s THR 27 N -2.00 0.95 -0.34 2.61 -4.23 -1.23 -5.05 115.64 106.35 1sk1 s THR 27 Ca 0.00 -1.16 -0.15 0.00 -1.18 0.00 0.00 61.69 59.20 1sk1 s THR 27 Cb 0.00 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1sk1 s THR 27 CO 0.00 -0.21 0.33 -0.70 -0.54 0.00 0.00 174.62 173.50 1sk1 s GLU 28 N -1.54 3.55 0.63 3.99 2.56 -1.26 -3.42 118.70 123.21 1sk1 s GLU 28 Ca -0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 54.97 54.36 1sk1 s GLU 28 Cb -0.09 -3.81 -0.02 0.00 2.00 0.00 0.00 34.13 32.21 1sk1 s GLU 28 CO 0.02 -0.51 1.02 -1.25 -0.56 0.00 0.00 175.26 173.98 1sk1 s PRO 29 N 1.95 3.30 0.14 4.30 0.04 -1.26 -4.87 135.00 138.59 1sk1 s PRO 29 Ca 0.10 0.54 -0.31 0.00 0.04 0.00 0.00 61.00 61.38 1sk1 s PRO 29 Cb -0.17 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1sk1 s PRO 29 CO 0.11 -0.70 1.50 0.99 0.04 0.00 0.00 177.00 178.95 1sk1 s THR 30 N -3.18 2.93 -0.23 1.26 2.01 0.06 -4.92 115.64 113.57 1sk1 s THR 30 Ca 0.55 0.65 -0.06 0.00 0.31 0.00 0.00 61.69 63.14 1sk1 s THR 30 Cb -0.11 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1sk1 s THR 30 CO 0.52 0.05 0.03 -0.63 -0.69 0.00 0.00 174.62 173.89 1sk1 s ILE 31 N 1.23 4.01 -0.26 1.82 1.01 -1.26 -1.39 121.20 126.36 1sk1 s ILE 31 Ca 0.68 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.99 1sk1 s ILE 31 Cb -0.41 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1sk1 s ILE 31 CO 0.31 0.37 0.04 -0.63 0.00 0.00 0.00 174.94 175.03 1sk1 s ILE 32 N 1.49 3.91 -1.11 2.92 1.01 -0.41 -4.99 121.20 124.03 1sk1 s ILE 32 Ca 0.06 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 1sk1 s ILE 32 Cb -0.15 -2.89 0.08 0.00 0.01 0.00 0.00 42.46 39.51 1sk1 s ILE 32 CO 0.01 0.26 1.49 -0.76 0.00 0.00 0.00 174.94 175.95 1sk1 s LEU 33 N 1.53 3.95 0.60 2.97 1.43 -1.26 -0.81 118.68 127.09 1sk1 s LEU 33 Ca 0.05 -1.96 0.35 0.00 -1.03 0.00 0.00 54.13 51.54 1sk1 s LEU 33 Cb -0.16 -2.54 1.93 0.00 0.03 0.00 0.00 46.19 45.45 1sk1 s LEU 33 CO 0.01 -1.28 2.23 0.10 0.23 0.00 0.00 176.35 177.64 1sk1 h TYR 34 N 8.77 0.00 -0.10 0.29 -0.00 -1.77 0.70 116.97 124.86 1sk1 h TYR 34 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.95 1sk1 h TYR 34 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.68 1sk1 h TYR 34 CO 1.29 0.03 -0.22 -0.07 -0.00 0.00 0.00 178.16 179.19 1sk1 h LEU 35 N 0.00 0.16 0.00 0.10 3.38 -1.88 -2.34 115.31 114.73 1sk1 h LEU 35 Ca -0.00 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1sk1 h LEU 35 Cb 0.14 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1sk1 h LEU 35 CO 0.00 0.40 -2.09 -1.84 0.09 0.00 0.00 178.44 175.00 1sk1 n GLU 36 N -4.21 0.99 -3.18 1.13 0.28 -0.26 -4.73 120.64 110.65 1sk1 n GLU 36 Ca -0.01 -0.06 -0.25 0.00 -0.16 0.00 0.00 57.16 56.68 1sk1 n GLU 36 Cb 0.32 -1.44 -0.06 0.00 1.43 0.00 0.00 31.44 31.69 1sk1 n GLU 36 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1sk1 n ASN 37 N -2.49 2.65 -4.68 -1.84 3.02 0.08 -5.10 115.26 106.90 1sk1 n ASN 37 Ca -0.21 -3.28 -0.32 0.00 -0.03 0.00 0.00 54.58 50.74 1sk1 n ASN 37 Cb 0.89 -0.62 0.15 0.00 -0.61 0.00 0.00 39.78 39.59 1sk1 n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1sk1 s PRO 38 N -2.51 1.31 0.72 3.52 0.04 -0.88 -4.40 135.00 132.79 1sk1 s PRO 38 Ca 0.42 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 1sk1 s PRO 38 Cb 0.23 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 33.06 1sk1 s PRO 38 CO -0.08 -2.44 1.20 -1.25 0.04 0.00 0.00 177.00 174.47 1sk1 s PRO 39 N -4.40 2.22 1.05 0.56 0.04 -1.26 -5.03 135.00 128.18 1sk1 s PRO 39 Ca 0.70 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 1sk1 s PRO 39 Cb -0.26 -1.85 0.22 0.00 0.04 0.00 0.00 34.50 32.66 1sk1 s PRO 39 CO 0.54 -1.77 1.07 -1.54 0.04 0.00 0.00 177.00 175.34 1sk1 s SER 40 N -2.07 2.08 0.15 6.66 1.04 -1.26 -4.72 113.70 115.58 1sk1 s SER 40 Ca 0.74 1.35 -0.17 0.00 0.48 0.00 0.00 55.95 58.35 1sk1 s SER 40 Cb -0.28 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 63.81 1sk1 s SER 40 CO 0.45 -3.49 1.76 -0.09 0.98 0.00 0.00 173.24 172.85 1sk1 h ARG 41 N -2.14 0.30 -0.70 4.02 2.43 -1.99 0.17 114.38 116.48 1sk1 h ARG 41 Ca -0.56 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.53 1sk1 h ARG 41 Cb 1.33 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1sk1 h ARG 41 CO 0.54 0.20 0.23 -0.44 -1.51 0.00 0.00 179.97 178.99 1sk1 h ASP 42 N 0.31 1.01 -0.56 -3.80 3.32 -1.99 0.69 116.42 115.39 1sk1 h ASP 42 Ca 0.14 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1sk1 h ASP 42 Cb 0.08 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1sk1 h ASP 42 CO -0.12 0.94 0.34 -0.08 -1.72 0.00 0.00 179.24 178.61 1sk1 h GLU 43 N 1.02 0.75 -0.58 3.56 4.57 -1.83 -0.95 114.58 121.12 1sk1 h GLU 43 Ca 0.23 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1sk1 h GLU 43 Cb 0.29 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1sk1 h GLU 43 CO -0.01 0.53 0.02 1.25 -1.18 0.00 0.00 179.01 179.62 1sk1 h LEU 44 N 0.75 0.99 -0.65 1.64 5.85 -0.15 0.13 115.31 123.88 1sk1 h LEU 44 Ca 0.20 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1sk1 h LEU 44 Cb -0.03 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1sk1 h LEU 44 CO -0.04 1.05 0.43 0.58 -0.34 0.00 0.00 178.44 180.12 1sk1 h VAL 45 N 0.90 1.17 -0.43 1.05 2.07 -0.59 -1.48 116.25 118.94 1sk1 h VAL 45 Ca 0.17 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1sk1 h VAL 45 Cb 0.53 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1sk1 h VAL 45 CO 0.03 0.16 0.17 0.50 0.02 0.00 0.00 177.57 178.44 1sk1 h LYS 46 N 0.88 0.64 -0.47 1.57 3.64 -0.87 -1.48 116.57 120.47 1sk1 h LYS 46 Ca 0.24 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1sk1 h LYS 46 Cb -0.10 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 1sk1 h LYS 46 CO -0.05 0.60 0.17 -0.07 -2.27 0.00 0.00 179.45 177.82 1sk1 h LEU 47 N 0.54 0.17 -0.42 5.20 3.38 -0.63 0.41 115.31 123.97 1sk1 h LEU 47 Ca 0.14 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1sk1 h LEU 47 Cb 0.20 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1sk1 h LEU 47 CO -0.01 0.13 0.17 0.40 0.09 0.00 0.00 178.44 179.22 1sk1 h ILE 48 N 0.34 1.20 -0.41 1.22 2.04 -1.14 0.53 117.51 121.29 1sk1 h ILE 48 Ca 0.23 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1sk1 h ILE 48 Cb 0.23 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1sk1 h ILE 48 CO -0.23 0.22 0.22 0.00 0.00 0.00 0.00 178.15 178.36 1sk1 h ALA 49 N 1.02 0.51 -0.07 1.87 0.00 -0.85 -2.44 119.26 119.29 1sk1 h ALA 49 Ca 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1sk1 h ALA 49 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sk1 h ALA 49 CO -0.01 -0.13 -0.32 -0.44 0.00 0.00 0.00 179.25 178.35 1sk1 h ASP 50 N 0.44 0.13 0.76 0.00 3.45 -0.49 -2.81 116.42 117.90 1sk1 h ASP 50 Ca 0.17 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1sk1 h ASP 50 Cb 0.06 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1sk1 h ASP 50 CO -0.11 0.45 0.00 0.23 -1.57 0.00 0.00 179.24 178.24 1sk1 n MET 51 N -4.13 0.02 -2.66 3.56 2.81 0.14 -4.52 117.12 112.33 1sk1 n MET 51 Ca -0.01 0.11 -0.19 0.00 -1.81 0.00 0.00 57.70 55.80 1sk1 n MET 51 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1sk1 n MET 51 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sk1 n GLY 52 N 0.81 -0.50 3.59 3.03 0.00 -1.06 -4.79 105.19 106.26 1sk1 n GLY 52 Ca 0.06 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1sk1 n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sk1 s ILE 53 N -2.93 2.32 0.75 -0.61 -4.36 -1.25 -5.11 121.20 110.01 1sk1 s ILE 53 Ca 0.11 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.32 1sk1 s ILE 53 Cb -0.05 -2.77 0.04 0.00 1.25 0.00 0.00 42.46 40.93 1sk1 s ILE 53 CO 0.14 -0.16 1.08 -0.94 0.24 0.00 0.00 174.94 175.30 1sk1 s SER 54 N -3.67 4.86 0.19 4.36 1.04 -1.26 -4.82 113.70 114.40 1sk1 s SER 54 Ca 0.34 1.48 -0.12 0.00 0.48 0.00 0.00 55.95 58.14 1sk1 s SER 54 Cb 0.03 -2.28 0.17 0.00 0.10 0.00 0.00 66.02 64.04 1sk1 s SER 54 CO 0.18 -1.76 1.81 0.58 0.98 0.00 0.00 173.24 175.03 1sk1 h VAL 55 N -0.94 1.00 -0.20 5.02 2.07 -1.95 -2.02 116.25 119.23 1sk1 h VAL 55 Ca -0.45 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1sk1 h VAL 55 Cb 1.24 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1sk1 h VAL 55 CO 0.57 0.11 -0.12 -0.09 0.02 0.00 0.00 177.57 178.07 1sk1 h ARG 56 N 0.62 0.32 0.00 1.57 2.43 -1.94 -1.37 114.38 116.01 1sk1 h ARG 56 Ca 0.25 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1sk1 h ARG 56 Cb 0.11 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1sk1 h ARG 56 CO -0.15 0.45 0.00 0.00 -1.51 0.00 0.00 179.97 178.76 1sk1 h ALA 57 N 1.58 1.00 0.00 2.80 0.00 -1.73 -0.92 119.26 121.99 1sk1 h ALA 57 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sk1 h ALA 57 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sk1 h ALA 57 CO 0.02 0.00 -0.24 -0.11 0.00 0.00 0.00 179.25 178.92 1sk1 n LEU 58 N -3.07 0.62 -4.70 0.00 7.94 -0.52 -4.88 117.00 112.39 1sk1 n LEU 58 Ca -0.01 0.40 -0.42 0.00 -1.11 0.00 0.00 56.01 54.87 1sk1 n LEU 58 Cb 0.20 -0.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.82 1sk1 n LEU 58 CO 0.24 -0.08 1.12 -0.76 -1.11 0.00 0.00 177.39 176.80 1sk1 s LEU 59 N -4.04 4.35 -0.19 -1.96 1.43 -0.35 -0.70 118.68 117.22 1sk1 s LEU 59 Ca 0.10 2.25 -0.28 0.00 -1.03 0.00 0.00 54.13 55.17 1sk1 s LEU 59 Cb 0.14 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 1sk1 s LEU 59 CO 0.63 -0.71 0.99 -0.75 0.23 0.00 0.00 176.35 176.74 1sk1 s LYS 60 N 1.87 4.30 0.86 1.70 2.47 0.60 -4.79 119.74 126.76 1sk1 s LYS 60 Ca 0.65 1.29 -0.10 0.00 -1.56 0.00 0.00 55.97 56.25 1sk1 s LYS 60 Cb -0.35 -3.61 0.17 0.00 -1.46 0.00 0.00 37.83 32.59 1sk1 s LYS 60 CO 0.29 -0.49 1.19 0.15 0.16 0.00 0.00 175.35 176.64 1sk1 s LYS 61 N 2.70 1.07 -1.46 4.03 1.02 -1.26 -4.48 119.74 121.37 1sk1 s LYS 61 Ca 0.44 -0.69 -0.08 0.00 0.02 0.00 0.00 55.97 55.66 1sk1 s LYS 61 Cb -0.16 -2.04 0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1sk1 s LYS 61 CO 0.10 -2.02 0.87 0.27 -0.92 0.00 0.00 175.35 173.65 1sk1 n ASN 62 N -3.39 -5.71 -4.15 2.83 6.94 -1.26 -4.98 115.26 105.54 1sk1 n ASN 62 Ca 0.15 -0.48 -0.14 0.00 -0.02 0.00 0.00 54.58 54.09 1sk1 n ASN 62 Cb 0.60 -4.57 -0.11 0.00 -2.36 0.00 0.00 39.78 33.34 1sk1 n ASN 62 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1sk1 s VAL 63 N -3.22 0.83 0.15 3.53 -7.23 -1.26 -5.06 120.40 108.13 1sk1 s VAL 63 Ca 0.48 -1.54 -0.22 0.00 -1.81 0.00 0.00 61.98 58.89 1sk1 s VAL 63 Cb -0.23 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1sk1 s VAL 63 CO 0.60 -0.54 1.64 -0.08 -0.31 0.00 0.00 175.10 176.40 1sk1 h GLU 64 N 3.72 -0.21 -0.46 4.82 4.81 -1.96 -1.26 114.58 124.04 1sk1 h GLU 64 Ca -0.37 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1sk1 h GLU 64 Cb 1.19 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1sk1 h GLU 64 CO 0.51 -0.14 0.23 -1.00 -0.73 0.00 0.00 179.01 177.88 1sk1 h PRO 65 N -0.22 0.64 -0.47 0.92 0.13 -1.97 0.25 132.00 131.27 1sk1 h PRO 65 Ca 0.13 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1sk1 h PRO 65 Cb 0.42 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.39 1sk1 h PRO 65 CO -0.35 0.49 0.30 -0.92 -0.23 0.00 0.00 178.00 177.30 1sk1 h TYR 66 N 0.64 0.57 0.36 1.56 5.03 -1.55 -0.90 116.97 122.69 1sk1 h TYR 66 Ca 0.16 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1sk1 h TYR 66 Cb 0.06 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.15 1sk1 h TYR 66 CO 0.00 0.35 -0.17 0.93 -1.32 0.00 0.00 178.16 177.95 1sk1 h GLU 67 N 0.61 -0.47 0.00 1.82 5.08 -1.09 -1.74 114.58 118.80 1sk1 h GLU 67 Ca 0.18 0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1sk1 h GLU 67 Cb -0.04 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1sk1 h GLU 67 CO -0.05 -0.15 -0.50 1.96 -1.00 0.00 0.00 179.01 179.26 1sk1 h GLN 68 N -0.86 0.00 -0.04 2.33 4.20 -0.93 -2.38 115.11 117.43 1sk1 h GLN 68 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1sk1 h GLN 68 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1sk1 h GLN 68 CO 0.08 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1sk1 n LEU 69 N -3.57 1.10 -0.82 1.46 4.77 -0.35 -4.93 117.00 114.67 1sk1 n LEU 69 Ca -0.00 -0.39 -0.08 0.00 -0.03 0.00 0.00 56.01 55.51 1sk1 n LEU 69 Cb 0.59 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1sk1 n LEU 69 CO 0.39 0.20 -0.09 0.61 -1.33 0.00 0.00 177.39 177.17 1sk1 n GLY 70 N 1.10 0.28 0.10 -0.72 0.00 -0.90 -4.89 105.19 100.16 1sk1 n GLY 70 Ca 0.19 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1sk1 n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sk1 n LEU 71 N -1.06 0.49 0.30 0.99 4.77 -0.67 -1.82 117.00 120.00 1sk1 n LEU 71 Ca -0.09 0.62 0.17 0.00 -0.03 0.00 0.00 56.01 56.68 1sk1 n LEU 71 Cb 0.49 -0.55 0.93 0.00 -2.33 0.00 0.00 43.42 41.96 1sk1 n LEU 71 CO 0.11 -0.48 1.09 0.00 -1.33 0.00 0.00 177.39 176.78 1sk1 h ALA 72 N 2.33 1.29 -2.44 -1.18 0.00 -1.90 -3.43 119.26 113.92 1sk1 h ALA 72 Ca 0.00 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 1sk1 h ALA 72 Cb 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1sk1 h ALA 72 CO 0.00 0.04 0.16 -1.21 0.00 0.00 0.00 179.25 178.25 1sk1 s GLU 73 N -4.32 4.26 -1.41 0.00 2.02 -0.76 -4.97 118.70 113.53 1sk1 s GLU 73 Ca -0.04 0.93 -0.10 0.00 0.02 0.00 0.00 54.97 55.78 1sk1 s GLU 73 Cb 0.14 -2.73 0.07 0.00 0.10 0.00 0.00 34.13 31.71 1sk1 s GLU 73 CO 0.52 0.30 2.29 -3.47 0.02 0.00 0.00 175.26 174.92 1sk1 n ASP 74 N 0.40 6.07 -0.71 -0.19 4.64 -1.26 -4.38 116.55 121.12 1sk1 n ASP 74 Ca 0.00 -2.94 0.05 0.00 -1.38 0.00 0.00 54.79 50.52 1sk1 n ASP 74 Cb 0.51 -1.52 0.08 0.00 -1.04 0.00 0.00 41.12 39.15 1sk1 n ASP 74 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1sk1 n LYS 75 N 3.97 0.60 -4.30 -0.67 5.02 -1.26 -5.05 118.16 116.47 1sk1 n LYS 75 Ca 0.55 -2.09 -0.22 0.00 -2.02 0.00 0.00 58.31 54.53 1sk1 n LYS 75 Cb 0.32 -0.81 -0.16 0.00 -0.02 0.00 0.00 35.03 34.36 1sk1 n LYS 75 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sk1 s PHE 76 N -1.29 1.02 0.86 2.13 0.40 -1.26 -5.14 117.98 114.71 1sk1 s PHE 76 Ca 0.24 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 56.12 1sk1 s PHE 76 Cb 0.25 -0.83 0.11 0.00 0.51 0.00 0.00 43.02 43.05 1sk1 s PHE 76 CO -0.06 -0.23 1.09 0.95 0.70 0.00 0.00 175.22 177.67 1sk1 s THR 77 N 0.87 2.82 0.23 0.64 -4.23 -1.26 -4.84 115.64 109.87 1sk1 s THR 77 Ca -0.12 0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 1sk1 s THR 77 Cb -0.15 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.07 1sk1 s THR 77 CO 0.01 -0.35 1.87 0.44 -0.54 0.00 0.00 174.62 176.05 1sk1 h ASP 78 N -1.38 0.89 0.21 3.99 3.45 -2.01 -0.95 116.42 120.62 1sk1 h ASP 78 Ca -0.48 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 56.86 1sk1 h ASP 78 Cb 1.28 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 1sk1 h ASP 78 CO 0.56 0.60 -0.42 0.44 -1.57 0.00 0.00 179.24 178.85 1sk1 h ASP 79 N 1.04 0.29 -0.86 6.45 5.19 -1.99 0.39 116.42 126.94 1sk1 h ASP 79 Ca 0.35 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1sk1 h ASP 79 Cb 0.04 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.43 1sk1 h ASP 79 CO -0.13 0.68 0.55 1.56 -3.12 0.00 0.00 179.24 178.78 1sk1 h GLN 80 N 0.23 1.14 -0.45 3.56 4.20 -1.77 -1.35 115.11 120.67 1sk1 h GLN 80 Ca 0.02 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1sk1 h GLN 80 Cb 0.85 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1sk1 h GLN 80 CO 0.07 0.78 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.90 1sk1 h LEU 81 N 1.17 0.81 -0.50 1.46 3.38 -0.64 -1.63 115.31 119.37 1sk1 h LEU 81 Ca 0.31 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1sk1 h LEU 81 Cb -0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1sk1 h LEU 81 CO -0.06 0.95 0.27 0.40 0.09 0.00 0.00 178.44 180.08 1sk1 h ILE 82 N 0.66 1.00 0.00 1.22 2.04 -0.76 -1.09 117.51 120.59 1sk1 h ILE 82 Ca 0.12 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1sk1 h ILE 82 Cb 0.55 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1sk1 h ILE 82 CO 0.03 0.10 -0.33 0.44 0.00 0.00 0.00 178.15 178.39 1sk1 h ASP 83 N 0.54 0.00 -0.46 1.72 3.45 -0.99 -1.48 116.42 119.19 1sk1 h ASP 83 Ca 0.21 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.55 1sk1 h ASP 83 Cb 0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1sk1 h ASP 83 CO -0.12 0.33 -0.18 -0.26 -1.57 0.00 0.00 179.24 177.43 1sk1 h PHE 84 N 0.00 1.08 -0.44 4.55 0.04 -0.81 -1.88 116.94 119.48 1sk1 h PHE 84 Ca -0.00 -0.26 0.05 0.00 2.80 0.00 0.00 57.97 60.56 1sk1 h PHE 84 Cb 0.60 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.45 1sk1 h PHE 84 CO 0.00 1.06 0.16 0.52 -0.60 0.00 0.00 178.31 179.45 1sk1 h MET 85 N 0.79 0.33 -0.73 1.51 2.86 -0.52 0.98 114.93 120.16 1sk1 h MET 85 Ca 0.11 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1sk1 h MET 85 Cb 0.75 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1sk1 h MET 85 CO 0.06 0.22 0.37 -0.07 1.06 0.00 0.00 176.91 178.54 1sk1 h LEU 86 N 0.34 0.92 0.00 1.22 3.38 -1.16 -2.47 115.31 117.54 1sk1 h LEU 86 Ca 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sk1 h LEU 86 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sk1 h LEU 86 CO -0.20 0.77 -0.17 1.56 0.09 0.00 0.00 178.44 180.48 1sk1 h GLN 87 N 1.02 0.00 -1.80 1.13 1.08 -0.76 -3.39 115.11 112.39 1sk1 h GLN 87 Ca 0.25 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.96 1sk1 h GLN 87 Cb 0.08 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 27.17 1sk1 h GLN 87 CO -0.04 0.00 -0.95 0.72 -0.95 0.00 0.00 178.83 177.62 1sk1 n HIS 88 N -2.69 -1.19 0.32 2.96 8.25 0.29 -5.02 115.22 118.15 1sk1 n HIS 88 Ca 0.04 -3.09 0.20 0.00 -0.26 0.00 0.00 57.72 54.61 1sk1 n HIS 88 Cb 0.49 0.22 1.08 0.00 1.12 0.00 0.00 29.99 32.91 1sk1 n HIS 88 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1sk1 h PRO 89 N 4.61 0.00 0.00 -0.41 0.11 -1.65 0.13 132.00 134.79 1sk1 h PRO 89 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1sk1 h PRO 89 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1sk1 h PRO 89 CO 0.38 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.14 1sk1 h ILE 90 N 0.00 0.00 0.00 4.15 2.10 -1.89 -0.52 117.51 121.34 1sk1 h ILE 90 Ca 0.01 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1sk1 h ILE 90 Cb 0.16 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 1sk1 h ILE 90 CO -0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1sk1 n LEU 91 N -2.41 0.42 -4.60 2.19 4.77 0.03 -4.68 117.00 112.71 1sk1 n LEU 91 Ca -0.01 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.13 1sk1 n LEU 91 Cb 0.09 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1sk1 n LEU 91 CO 0.14 -0.33 0.63 -0.63 -1.33 0.00 0.00 177.39 175.87 1sk1 s ILE 92 N -3.15 4.72 0.95 -0.08 1.01 -0.21 -0.29 121.20 124.15 1sk1 s ILE 92 Ca 0.07 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.70 1sk1 s ILE 92 Cb 0.11 -4.22 0.16 0.00 0.01 0.00 0.00 42.46 38.52 1sk1 s ILE 92 CO 0.41 -0.39 1.09 0.21 0.00 0.00 0.00 174.94 176.26 1sk1 s ASN 93 N 1.76 2.95 0.03 3.58 3.84 0.12 -4.80 114.94 122.43 1sk1 s ASN 93 Ca 0.34 1.50 -0.16 0.00 0.21 0.00 0.00 52.86 54.75 1sk1 s ASN 93 Cb -0.13 -2.17 0.03 0.00 -0.55 0.00 0.00 41.25 38.42 1sk1 s ASN 93 CO 0.16 -2.97 0.35 0.00 -2.79 0.00 0.00 177.10 171.84 1sk1 s ARG 94 N -4.85 0.83 0.18 0.43 3.03 -1.26 -4.49 118.95 112.82 1sk1 s ARG 94 Ca 0.65 -0.40 -0.14 0.00 2.03 0.00 0.00 55.73 57.87 1sk1 s ARG 94 Cb -0.19 0.37 -0.07 0.00 -1.03 0.00 0.00 34.95 34.02 1sk1 s ARG 94 CO 0.58 -0.27 0.58 -1.25 -1.13 0.00 0.00 175.30 173.81 1sk1 s PRO 95 N -2.35 3.96 -0.07 3.89 0.04 -1.26 -4.72 135.00 134.50 1sk1 s PRO 95 Ca -0.06 0.48 -0.17 0.00 0.04 0.00 0.00 61.00 61.30 1sk1 s PRO 95 Cb -0.01 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1sk1 s PRO 95 CO -0.02 0.41 0.44 0.42 0.04 0.00 0.00 177.00 178.29 1sk1 s ILE 96 N -1.59 5.12 -0.04 0.56 1.01 -1.18 -0.57 121.20 124.52 1sk1 s ILE 96 Ca 0.42 0.89 0.04 0.00 0.00 0.00 0.00 60.65 62.00 1sk1 s ILE 96 Cb -0.14 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 1sk1 s ILE 96 CO 0.20 0.43 -0.16 -0.69 0.00 0.00 0.00 174.94 174.72 1sk1 s VAL 97 N -0.08 1.30 -0.14 2.92 1.01 -0.34 -0.64 120.40 124.44 1sk1 s VAL 97 Ca 0.24 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1sk1 s VAL 97 Cb -0.16 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1sk1 s VAL 97 CO 0.11 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.75 1sk1 s VAL 98 N 0.00 2.76 0.31 2.92 1.01 0.46 -1.36 120.40 126.51 1sk1 s VAL 98 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1sk1 s VAL 98 Cb -0.10 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1sk1 s VAL 98 CO 0.01 0.52 0.12 0.42 0.00 0.00 0.00 175.10 176.18 1sk1 s THR 99 N 0.54 0.61 0.60 3.92 -4.23 0.40 -0.82 115.64 116.65 1sk1 s THR 99 Ca -0.10 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.78 1sk1 s THR 99 Cb -0.16 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.48 1sk1 s THR 99 CO 0.04 0.00 2.12 -0.65 -0.54 0.00 0.00 174.62 175.59 1sk1 h PRO 100 N 2.16 0.00 0.00 3.99 0.11 -1.86 -1.46 132.00 134.95 1sk1 h PRO 100 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sk1 h PRO 100 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sk1 h PRO 100 CO 0.59 0.00 -0.74 -0.07 -0.21 0.00 0.00 178.00 177.57 1sk1 h LEU 101 N 0.00 0.00 0.00 2.35 3.38 -1.95 -3.50 115.31 115.59 1sk1 h LEU 101 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1sk1 h LEU 101 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1sk1 h LEU 101 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1sk1 n GLY 102 N 1.28 -0.52 3.13 0.83 0.00 -0.55 -5.00 105.19 104.35 1sk1 n GLY 102 Ca 0.02 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 1sk1 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sk1 s THR 103 N -2.64 1.43 0.03 2.61 2.01 -1.26 -0.45 115.64 117.35 1sk1 s THR 103 Ca 0.00 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1sk1 s THR 103 Cb 0.00 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1sk1 s THR 103 CO 0.00 0.41 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.15 1sk1 s ARG 104 N 0.07 0.43 -0.51 4.92 1.81 -0.47 -4.09 118.95 121.11 1sk1 s ARG 104 Ca -0.05 -0.59 -0.29 0.00 -1.72 0.00 0.00 55.73 53.09 1sk1 s ARG 104 Cb -0.12 -0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.21 1sk1 s ARG 104 CO 0.02 0.03 1.23 -1.17 -0.68 0.00 0.00 175.30 174.74 1sk1 s LEU 105 N -1.24 3.53 -1.26 2.53 2.96 -1.26 -1.20 118.68 122.74 1sk1 s LEU 105 Ca -0.09 0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 1sk1 s LEU 105 Cb -0.08 -3.36 0.17 0.00 0.50 0.00 0.00 46.19 43.42 1sk1 s LEU 105 CO -0.00 -1.42 1.76 0.00 -1.32 0.00 0.00 176.35 175.37 1sk1 s ARG 107 N 0.66 0.90 0.92 0.00 0.52 -1.26 -3.18 118.95 117.50 1sk1 s ARG 107 Ca 0.40 -0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 1sk1 s ARG 107 Cb 0.06 -2.20 0.14 0.00 0.52 0.00 0.00 34.95 33.48 1sk1 s ARG 107 CO 0.00 -0.72 1.14 -1.25 0.02 0.00 0.00 175.30 174.49 1sk1 s PRO 108 N 1.68 1.08 0.43 3.54 0.04 -1.26 -4.94 135.00 135.57 1sk1 s PRO 108 Ca 0.01 0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.43 1sk1 s PRO 108 Cb -0.18 -1.83 0.93 0.00 0.04 0.00 0.00 34.50 33.46 1sk1 s PRO 108 CO -0.12 -2.24 2.03 0.66 0.04 0.00 0.00 177.00 177.37 1sk1 h SER 109 N -1.53 0.29 0.31 6.66 4.64 -1.82 -1.75 113.55 120.35 1sk1 h SER 109 Ca -0.51 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1sk1 h SER 109 Cb 1.33 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1sk1 h SER 109 CO 0.61 0.28 0.00 -1.84 -0.87 0.00 0.00 176.83 175.01 1sk1 n GLU 110 N -4.43 0.02 -0.14 4.77 0.00 -1.26 -1.44 120.64 118.16 1sk1 n GLU 110 Ca 0.00 0.32 0.24 0.00 0.00 0.00 0.00 57.16 57.72 1sk1 n GLU 110 Cb 0.13 -1.50 0.67 0.00 0.00 0.00 0.00 31.44 30.74 1sk1 n GLU 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sk1 h VAL 111 N 0.00 0.64 -0.07 3.84 2.07 -1.64 -0.62 116.25 120.47 1sk1 h VAL 111 Ca 0.00 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1sk1 h VAL 111 Cb 0.16 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1sk1 h VAL 111 CO 0.00 0.02 0.09 1.62 0.02 0.00 0.00 177.57 179.31 1sk1 h VAL 112 N 0.09 0.48 0.00 2.57 3.04 -1.48 -0.40 116.25 120.55 1sk1 h VAL 112 Ca 0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.06 1sk1 h VAL 112 Cb 1.36 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1sk1 h VAL 112 CO -0.04 0.00 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.41 1sk1 h LEU 113 N 0.00 0.00 -1.02 3.16 3.38 -1.34 -1.70 115.31 117.80 1sk1 h LEU 113 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1sk1 h LEU 113 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1sk1 h LEU 113 CO -0.00 0.04 0.17 0.44 0.09 0.00 0.00 178.44 179.19 1sk1 h ASP 114 N 0.00 0.82 -0.02 -0.43 3.45 -1.24 -3.25 116.42 115.74 1sk1 h ASP 114 Ca -0.00 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1sk1 h ASP 114 Cb 0.11 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1sk1 h ASP 114 CO 0.01 0.78 -0.10 2.30 -1.57 0.00 0.00 179.24 180.65 1sk1 n ILE 115 N -4.28 0.00 -2.59 0.35 -5.35 -0.69 -4.91 119.36 101.89 1sk1 n ILE 115 Ca 0.05 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 1sk1 n ILE 115 Cb 0.21 1.32 -0.03 0.00 -1.74 0.00 0.00 39.64 39.41 1sk1 n ILE 115 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1sk1 s LEU 116 N -1.66 4.25 0.15 7.28 1.43 -0.89 -4.38 118.68 124.85 1sk1 s LEU 116 Ca 0.19 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 1sk1 s LEU 116 Cb 0.15 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.81 1sk1 s LEU 116 CO 0.28 -0.53 1.56 1.56 0.23 0.00 0.00 176.35 179.45 1sk1 h GLN 117 N 7.31 0.89 -5.81 1.70 4.20 -1.91 -3.44 115.11 118.06 1sk1 h GLN 117 Ca -0.31 -0.34 -0.64 0.00 0.06 0.00 0.00 58.65 57.42 1sk1 h GLN 117 Cb 1.14 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 1sk1 h GLN 117 CO 0.88 0.99 -0.45 -0.51 -0.67 0.00 0.00 178.83 179.07 1sk1 s ASP 118 N -6.51 6.43 0.63 1.46 1.01 -1.26 -5.07 116.67 113.36 1sk1 s ASP 118 Ca -0.12 0.46 -0.18 0.00 0.71 0.00 0.00 52.55 53.42 1sk1 s ASP 118 Cb 0.11 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 1sk1 s ASP 118 CO 0.84 0.29 1.26 0.00 0.21 0.00 0.00 175.17 177.77 1sk1 s ALA 119 N -1.24 2.43 0.26 5.23 0.00 -1.26 -4.79 121.76 122.38 1sk1 s ALA 119 Ca 0.24 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 1sk1 s ALA 119 Cb -0.13 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.34 1sk1 s ALA 119 CO 0.14 -1.44 1.08 1.04 0.00 0.00 0.00 175.76 176.58 1sk1 n GLN 120 N -1.82 1.37 0.00 0.00 1.13 -1.26 -4.61 117.38 112.18 1sk1 n GLN 120 Ca 0.15 0.48 0.14 0.00 -1.94 0.00 0.00 57.00 55.83 1sk1 n GLN 120 Cb 0.49 -1.90 0.64 0.00 0.11 0.00 0.00 30.24 29.57 1sk1 n GLN 120 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sk1 n LYS 121 N 1.05 0.26 -2.11 -1.09 5.02 0.01 -4.92 118.16 116.38 1sk1 n LYS 121 Ca 0.11 -0.03 -0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1sk1 n LYS 121 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1sk1 n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sk1 n GLY 122 N 1.39 0.94 3.74 0.72 0.00 -1.26 -5.13 105.19 105.59 1sk1 n GLY 122 Ca 0.11 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 1sk1 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sk1 s ALA 123 N -1.24 2.56 -0.10 4.61 0.00 -1.25 -4.86 121.76 121.48 1sk1 s ALA 123 Ca 0.06 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1sk1 s ALA 123 Cb -0.01 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1sk1 s ALA 123 CO 0.01 -1.53 -0.15 0.12 0.00 0.00 0.00 175.76 174.21 1sk1 s PHE 124 N -1.35 1.89 -0.09 0.00 2.19 -0.24 -4.97 117.98 115.42 1sk1 s PHE 124 Ca 0.78 -0.83 0.03 0.00 0.33 0.00 0.00 56.93 57.24 1sk1 s PHE 124 Cb -0.39 -1.36 0.00 0.00 -1.31 0.00 0.00 43.02 39.96 1sk1 s PHE 124 CO 0.43 -0.42 -0.20 0.99 1.83 0.00 0.00 175.22 177.86 1sk1 s THR 125 N 0.84 1.74 0.98 0.12 2.01 -1.26 -0.76 115.64 119.32 1sk1 s THR 125 Ca -0.10 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 60.96 1sk1 s THR 125 Cb -0.15 -1.53 0.18 0.00 0.01 0.00 0.00 72.50 71.01 1sk1 s THR 125 CO 0.01 0.49 1.12 -0.54 -0.69 0.00 0.00 174.62 175.01 1sk1 s LYS 126 N 0.46 0.49 0.60 4.92 1.02 0.96 -4.86 119.74 123.33 1sk1 s LYS 126 Ca -0.17 1.39 0.34 0.00 0.02 0.00 0.00 55.97 57.55 1sk1 s LYS 126 Cb -0.17 -1.68 1.91 0.00 -0.52 0.00 0.00 37.83 37.37 1sk1 s LYS 126 CO 0.07 -2.94 2.24 1.05 -0.92 0.00 0.00 175.35 174.85 1sk1 h GLU 127 N -2.09 0.00 -0.47 1.68 4.11 -1.94 -0.19 114.58 115.68 1sk1 h GLU 127 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1sk1 h GLU 127 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1sk1 h GLU 127 CO 0.43 0.02 0.00 -0.40 0.07 0.00 0.00 179.01 179.14 1sk1 n ASP 128 N -3.55 2.53 0.00 3.06 5.75 -1.26 -4.91 116.55 118.17 1sk1 n ASP 128 Ca -0.03 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1sk1 n ASP 128 Cb 0.12 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1sk1 n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sk1 n GLY 129 N 1.17 0.78 3.66 6.12 0.00 -0.08 -5.04 105.19 111.79 1sk1 n GLY 129 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1sk1 n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sk1 s GLU 130 N -0.71 4.16 0.22 1.61 2.12 -1.26 -4.74 118.70 120.11 1sk1 s GLU 130 Ca 0.00 2.12 -0.30 0.00 0.36 0.00 0.00 54.97 57.15 1sk1 s GLU 130 Cb 0.00 -3.97 -0.09 0.00 0.26 0.00 0.00 34.13 30.33 1sk1 s GLU 130 CO 0.00 -0.86 1.24 0.15 -0.54 0.00 0.00 175.26 175.25 1sk1 s LYS 131 N 4.03 4.46 -0.03 4.30 1.02 -1.26 -0.03 119.74 132.23 1sk1 s LYS 131 Ca 0.72 1.97 -0.05 0.00 0.02 0.00 0.00 55.97 58.63 1sk1 s LYS 131 Cb -0.32 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1sk1 s LYS 131 CO 0.28 -0.11 -0.12 0.28 -0.92 0.00 0.00 175.35 174.76 1sk1 n VAL 132 N 2.11 1.00 -4.58 3.17 0.31 0.06 -4.72 118.33 115.68 1sk1 n VAL 132 Ca 0.03 0.14 -0.23 0.00 -0.01 0.00 0.00 64.34 64.28 1sk1 n VAL 132 Cb 0.44 -1.76 -0.14 0.00 -0.91 0.00 0.00 33.84 31.47 1sk1 n VAL 132 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1sk1 s VAL 133 N -2.25 1.30 0.57 2.52 -7.23 -0.94 -0.48 120.40 113.88 1sk1 s VAL 133 Ca -0.11 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1sk1 s VAL 133 Cb 0.03 -1.13 0.12 0.00 0.56 0.00 0.00 36.38 35.96 1sk1 s VAL 133 CO 0.15 0.20 0.78 -0.90 -0.31 0.00 0.00 175.10 175.01 1sk1 n ASP 134 N 2.21 0.60 0.21 4.85 3.85 -0.24 -1.08 116.55 126.95 1sk1 n ASP 134 Ca -0.16 -1.61 0.05 0.00 -0.71 0.00 0.00 54.79 52.35 1sk1 n ASP 134 Cb 0.54 -0.54 0.45 0.00 -1.35 0.00 0.00 41.12 40.22 1sk1 n ASP 134 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1sk1 h GLU 135 N 0.00 0.00 0.00 0.11 4.39 -1.90 -0.37 114.58 116.81 1sk1 h GLU 135 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1sk1 h GLU 135 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1sk1 h GLU 135 CO 0.23 0.26 0.00 0.00 -1.16 0.00 0.00 179.01 178.34 1sk1 h ALA 136 N 1.74 1.00 0.00 3.43 0.00 -1.95 -3.41 119.26 120.07 1sk1 h ALA 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sk1 h ALA 136 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sk1 h ALA 136 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1sk1 n GLY 137 N 0.26 0.83 3.74 0.00 0.00 -0.15 -5.08 105.19 104.78 1sk1 n GLY 137 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1sk1 n GLY 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sk1 s LYS 138 N -0.83 4.62 0.17 1.61 2.20 -1.26 -4.75 119.74 121.50 1sk1 s LYS 138 Ca 0.00 1.31 -0.32 0.00 -0.36 0.00 0.00 55.97 56.60 1sk1 s LYS 138 Cb 0.00 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.85 1sk1 s LYS 138 CO 0.00 0.25 1.60 0.50 -0.36 0.00 0.00 175.35 177.34 1sk1 s ARG 139 N -0.05 4.20 0.00 4.03 6.06 -1.26 -1.08 118.95 130.84 1sk1 s ARG 139 Ca 0.44 2.41 0.24 0.00 -2.50 0.00 0.00 55.73 56.32 1sk1 s ARG 139 Cb -0.22 -3.16 0.24 0.00 0.06 0.00 0.00 34.95 31.87 1sk1 s ARG 139 CO 0.27 -0.64 1.29 1.28 -2.50 0.00 0.00 175.30 175.00