#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q38 n ARG 2 N 0.00 0.34 0.00 2.12 1.74 -1.26 -5.09 116.66 114.50 1q38 n ARG 2 Ca 0.00 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1q38 n ARG 2 Cb 0.00 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q38 n GLY 3 N 2.36 1.66 3.14 -0.13 0.00 -1.26 -5.10 105.19 105.87 1q38 n GLY 3 Ca -0.28 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q38 s SER 4 N -1.33 1.54 0.00 1.61 1.04 -1.26 -5.03 113.70 110.27 1q38 s SER 4 Ca 0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1q38 s SER 4 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1q38 s SER 4 CO 0.00 -0.06 0.08 0.59 0.98 0.00 0.00 173.24 174.83 1q38 n ASN 5 N 1.50 0.17 -2.04 7.02 3.02 -1.26 -5.11 115.26 118.55 1q38 n ASN 5 Ca -0.20 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 1q38 n ASN 5 Cb 0.54 0.83 0.00 0.00 -0.61 0.00 0.00 39.78 40.54 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q38 n ALA 6 N -0.83 -2.17 -1.55 5.41 0.00 -1.26 -4.66 120.51 115.46 1q38 n ALA 6 Ca 0.00 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1q38 n ALA 6 Cb 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.09 1q38 n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q38 n PRO 7 N 1.58 0.47 -2.69 0.00 -0.02 -1.26 -4.60 135.00 128.48 1q38 n PRO 7 Ca 0.00 -0.83 -0.06 0.00 -2.02 0.00 0.00 63.50 60.59 1q38 n PRO 7 Cb 0.00 -3.45 0.06 0.00 -0.02 0.00 0.00 33.50 30.09 1q38 n PRO 7 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1q38 n GLN 8 N 8.43 0.32 -1.88 -0.52 7.27 -1.26 -5.17 117.38 124.58 1q38 n GLN 8 Ca 0.48 -1.03 -0.32 0.00 0.07 0.00 0.00 57.00 56.20 1q38 n GLN 8 Cb 0.41 -0.60 0.03 0.00 2.41 0.00 0.00 30.24 32.48 1q38 n GLN 8 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1q38 s PRO 9 N 0.34 3.14 0.00 3.69 0.04 -1.26 -5.07 135.00 135.88 1q38 s PRO 9 Ca 0.28 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1q38 s PRO 9 Cb 0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1q38 s PRO 9 CO -0.13 -0.95 0.00 0.43 0.04 0.00 0.00 177.00 176.39 1q38 n SER 10 N -2.39 0.00 -4.73 6.66 7.64 -1.26 -5.14 113.62 114.40 1q38 n SER 10 Ca 0.09 -0.21 -0.37 0.00 1.01 0.00 0.00 58.87 59.38 1q38 n SER 10 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1q38 n SER 10 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1q38 s HIS 11 N -2.41 3.50 0.20 1.43 3.76 -1.26 -5.00 115.29 115.52 1q38 s HIS 11 Ca 0.00 0.81 0.05 0.00 -0.15 0.00 0.00 55.06 55.77 1q38 s HIS 11 Cb 0.00 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 1q38 s HIS 11 CO 0.00 0.20 0.21 -1.50 -0.85 0.00 0.00 174.74 172.80 1q38 s ILE 12 N 0.53 4.68 0.36 0.60 2.07 -1.26 -4.98 121.20 123.20 1q38 s ILE 12 Ca 0.23 -1.14 0.12 0.00 -1.41 0.00 0.00 60.65 58.46 1q38 s ILE 12 Cb -0.14 -3.46 0.34 0.00 0.13 0.00 0.00 42.46 39.33 1q38 s ILE 12 CO 0.08 -0.22 1.80 -1.28 -1.91 0.00 0.00 174.94 173.41 1q38 h SER 13 N 1.88 0.60 -3.56 4.50 0.87 -1.93 -3.19 113.55 112.71 1q38 h SER 13 Ca -0.49 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.21 1q38 h SER 13 Cb 1.22 -0.03 -0.25 0.00 -0.44 0.00 0.00 62.40 62.90 1q38 h SER 13 CO 0.63 0.20 0.46 -1.59 -0.53 0.00 0.00 176.83 176.00 1q38 s LYS 14 N -5.64 0.56 -0.08 2.24 -2.85 -0.79 -4.67 119.74 108.51 1q38 s LYS 14 Ca -0.10 0.46 0.04 0.00 -1.00 0.00 0.00 55.97 55.37 1q38 s LYS 14 Cb 0.24 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1q38 s LYS 14 CO 0.80 -0.11 -0.21 -0.47 0.10 0.00 0.00 175.35 175.46 1q38 s TYR 15 N -0.22 2.58 -0.06 1.78 6.14 -0.97 -1.09 117.35 125.51 1q38 s TYR 15 Ca 0.01 -0.74 0.03 0.00 0.64 0.00 0.00 57.07 57.02 1q38 s TYR 15 Cb -0.03 -1.68 -0.02 0.00 0.42 0.00 0.00 41.96 40.64 1q38 s TYR 15 CO -0.03 -0.23 -0.15 0.42 0.64 0.00 0.00 175.55 176.20 1q38 s ILE 16 N 0.03 3.01 -0.27 3.14 1.09 0.12 0.05 121.20 128.36 1q38 s ILE 16 Ca -0.08 -0.73 -0.03 0.00 -1.10 0.00 0.00 60.65 58.71 1q38 s ILE 16 Cb -0.15 -2.18 0.02 0.00 -1.06 0.00 0.00 42.46 39.09 1q38 s ILE 16 CO 0.05 0.58 -0.01 -0.22 -0.10 0.00 0.00 174.94 175.24 1q38 s LEU 17 N -0.55 3.45 -0.12 2.97 0.20 0.13 -0.33 118.68 124.42 1q38 s LEU 17 Ca 0.08 -0.86 0.02 0.00 0.69 0.00 0.00 54.13 54.06 1q38 s LEU 17 Cb -0.11 -1.73 -0.00 0.00 -0.43 0.00 0.00 46.19 43.91 1q38 s LEU 17 CO 0.01 -0.16 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.58 1q38 s ARG 18 N 1.37 3.14 0.05 1.98 0.52 -0.44 -1.42 118.95 124.15 1q38 s ARG 18 Ca 0.00 -0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 54.22 1q38 s ARG 18 Cb -0.17 -2.45 0.04 0.00 0.52 0.00 0.00 34.95 32.89 1q38 s ARG 18 CO -0.02 0.12 0.42 1.67 0.02 0.00 0.00 175.30 177.50 1q38 s TRP 19 N 0.52 -0.27 0.18 -0.53 -2.14 -1.09 -0.00 118.94 115.61 1q38 s TRP 19 Ca -0.13 0.21 -0.22 0.00 2.66 0.00 0.00 56.10 58.63 1q38 s TRP 19 Cb -0.17 0.23 0.06 0.00 -3.10 0.00 0.00 33.47 30.49 1q38 s TRP 19 CO 0.05 -0.58 0.60 -0.98 -2.66 0.00 0.00 176.95 173.37 1q38 s ARG 20 N -2.57 1.35 -0.16 3.25 1.04 0.04 -0.73 118.95 121.16 1q38 s ARG 20 Ca -0.05 -0.58 -0.31 0.00 -1.04 0.00 0.00 55.73 53.75 1q38 s ARG 20 Cb -0.01 0.58 -0.08 0.00 -2.04 0.00 0.00 34.95 33.40 1q38 s ARG 20 CO -0.03 -0.59 2.11 -2.30 -0.04 0.00 0.00 175.30 174.45 1q38 n PRO 21 N -0.38 2.06 0.28 3.89 -0.02 -1.26 -0.36 135.00 139.20 1q38 n PRO 21 Ca -0.15 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1q38 n PRO 21 Cb 0.64 -2.97 0.76 0.00 -0.02 0.00 0.00 33.50 31.91 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1q38 h LYS 22 N 12.71 0.00 -0.08 -0.52 3.64 -1.15 -1.58 116.57 129.60 1q38 h LYS 22 Ca -0.42 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.75 1q38 h LYS 22 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1q38 h LYS 22 CO 0.96 0.00 -0.81 -0.97 -2.27 0.00 0.00 179.45 176.37 1q38 h ASN 23 N 0.00 0.66 -1.45 4.20 -0.73 -1.88 -3.46 115.58 112.92 1q38 h ASN 23 Ca -0.00 -0.46 0.00 0.00 1.87 0.00 0.00 56.30 57.71 1q38 h ASN 23 Cb 0.01 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.40 1q38 h ASN 23 CO 0.00 1.24 0.00 -0.24 -0.37 0.00 0.00 177.43 178.06 1q38 n SER 24 N -3.85 0.00 -3.87 1.15 2.88 -0.60 -5.13 113.62 104.21 1q38 n SER 24 Ca -0.06 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 1q38 n SER 24 Cb 0.76 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.07 1q38 n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q38 s VAL 25 N 1.48 0.13 0.00 2.46 0.11 -1.26 -4.87 120.40 118.44 1q38 s VAL 25 Ca 0.00 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1q38 s VAL 25 Cb 0.00 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 1q38 s VAL 25 CO 0.00 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1q38 n GLY 26 N 3.41 -1.12 3.15 6.54 0.00 -1.26 -5.00 105.19 110.91 1q38 n GLY 26 Ca -0.17 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 1q38 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q38 n ARG 27 N -0.19 -2.89 -1.89 1.61 1.74 -1.26 -4.49 116.66 109.29 1q38 n ARG 27 Ca 0.00 0.80 -0.30 0.00 -0.77 0.00 0.00 57.85 57.58 1q38 n ARG 27 Cb 0.00 -5.54 0.20 0.00 -1.02 0.00 0.00 32.46 26.10 1q38 n ARG 27 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1q38 s TRP 28 N -3.36 1.33 -0.01 -1.55 0.52 -1.26 -4.45 118.94 110.16 1q38 s TRP 28 Ca 0.34 0.26 -0.04 0.00 0.02 0.00 0.00 56.10 56.69 1q38 s TRP 28 Cb -0.04 -4.18 0.00 0.00 -1.15 0.00 0.00 33.47 28.10 1q38 s TRP 28 CO 0.68 -2.86 0.08 0.15 0.02 0.00 0.00 176.95 175.03 1q38 s LYS 29 N -5.91 0.27 -0.11 4.98 1.02 0.09 -4.87 119.74 115.20 1q38 s LYS 29 Ca 0.76 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.59 1q38 s LYS 29 Cb -0.03 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1q38 s LYS 29 CO 0.54 -0.05 -0.23 -1.21 -0.92 0.00 0.00 175.35 173.47 1q38 s GLU 30 N -0.71 3.01 -0.16 1.68 8.01 -1.24 -2.66 118.70 126.63 1q38 s GLU 30 Ca -0.08 -0.86 -0.04 0.00 0.01 0.00 0.00 54.97 53.99 1q38 s GLU 30 Cb -0.05 -2.30 0.06 0.00 -4.31 0.00 0.00 34.13 27.53 1q38 s GLU 30 CO 0.00 0.14 0.11 0.00 0.01 0.00 0.00 175.26 175.53 1q38 s ALA 31 N 0.43 0.26 -0.24 5.21 0.00 -0.51 -4.92 121.76 121.99 1q38 s ALA 31 Ca -0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1q38 s ALA 31 Cb -0.18 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1q38 s ALA 31 CO 0.07 -1.09 0.28 0.99 0.00 0.00 0.00 175.76 176.00 1q38 s THR 32 N 2.18 5.27 -0.24 0.00 2.01 -1.25 0.18 115.64 123.79 1q38 s THR 32 Ca 0.03 0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1q38 s THR 32 Cb -0.15 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.80 1q38 s THR 32 CO -0.09 0.26 -0.09 0.27 -0.69 0.00 0.00 174.62 174.29 1q38 s ILE 33 N 1.48 1.81 -0.50 1.82 -5.25 0.11 -4.93 121.20 115.75 1q38 s ILE 33 Ca 0.12 -1.36 -0.26 0.00 -0.99 0.00 0.00 60.65 58.16 1q38 s ILE 33 Cb -0.15 -1.98 -0.05 0.00 2.95 0.00 0.00 42.46 43.23 1q38 s ILE 33 CO 0.08 -0.03 2.18 -2.84 -1.79 0.00 0.00 174.94 172.54 1q38 s PRO 34 N 1.27 2.43 2.31 0.37 0.02 -1.26 -2.30 135.00 137.85 1q38 s PRO 34 Ca -0.06 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.17 1q38 s PRO 34 Cb -0.19 -4.48 0.00 0.00 0.02 0.00 0.00 34.50 29.85 1q38 s PRO 34 CO -0.06 -2.92 0.00 0.41 -0.33 0.00 0.00 177.00 174.10 1q38 n GLY 35 N 5.85 1.24 3.15 0.52 0.00 -1.21 -4.33 105.19 110.41 1q38 n GLY 35 Ca 0.30 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.69 1q38 n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q38 s HIS 36 N 0.00 -0.16 0.07 1.61 2.46 -1.26 -4.81 115.29 113.20 1q38 s HIS 36 Ca 0.00 0.11 0.00 0.00 0.47 0.00 0.00 55.06 55.64 1q38 s HIS 36 Cb 0.00 0.03 -0.26 0.00 -0.13 0.00 0.00 32.58 32.22 1q38 s HIS 36 CO 0.00 -0.09 1.12 -0.07 -2.47 0.00 0.00 174.74 173.23 1q38 h LEU 37 N 7.24 0.27 0.00 8.88 -0.00 -1.94 -3.49 115.31 126.27 1q38 h LEU 37 Ca -0.11 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1q38 h LEU 37 Cb 1.17 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1q38 h LEU 37 CO -0.16 1.24 0.00 -0.46 -0.00 0.00 0.00 178.44 179.06 1q38 n ASN 38 N -3.44 0.00 -4.58 -0.43 2.04 -1.26 -5.10 115.26 102.48 1q38 n ASN 38 Ca -0.07 -0.85 -0.42 0.00 -0.44 0.00 0.00 54.58 52.79 1q38 n ASN 38 Cb 1.00 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 38.23 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1q38 s SER 39 N -0.56 6.23 -0.39 0.53 0.01 -1.26 -4.98 113.70 113.27 1q38 s SER 39 Ca 0.00 0.30 -0.13 0.00 1.31 0.00 0.00 55.95 57.43 1q38 s SER 39 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1q38 s SER 39 CO 0.00 -1.63 0.26 -0.47 0.41 0.00 0.00 173.24 171.81 1q38 s TYR 40 N 5.73 3.24 -0.08 2.43 6.14 -1.26 -5.06 117.35 128.49 1q38 s TYR 40 Ca 0.51 -0.79 0.02 0.00 0.64 0.00 0.00 57.07 57.44 1q38 s TYR 40 Cb -0.10 -2.53 0.02 0.00 0.42 0.00 0.00 41.96 39.77 1q38 s TYR 40 CO 0.26 -0.63 -0.12 0.95 0.64 0.00 0.00 175.55 176.65 1q38 s THR 41 N 1.61 1.17 -0.18 4.34 -4.23 -1.26 -5.12 115.64 111.98 1q38 s THR 41 Ca 0.03 -0.47 -0.27 0.00 -1.18 0.00 0.00 61.69 59.81 1q38 s THR 41 Cb -0.19 -1.08 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1q38 s THR 41 CO 0.08 0.37 0.91 -0.63 -0.54 0.00 0.00 174.62 174.81 1q38 s ILE 42 N 0.87 4.82 -0.09 2.99 1.01 -1.26 -5.03 121.20 124.51 1q38 s ILE 42 Ca -0.11 1.79 -0.00 0.00 0.00 0.00 0.00 60.65 62.33 1q38 s ILE 42 Cb -0.15 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.14 1q38 s ILE 42 CO 0.01 -0.03 -0.06 -0.54 0.00 0.00 0.00 174.94 174.33 1q38 s LYS 43 N 2.40 1.20 0.00 2.79 1.02 -1.26 -4.84 119.74 121.04 1q38 s LYS 43 Ca 0.41 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1q38 s LYS 43 Cb -0.16 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 1q38 s LYS 43 CO 0.12 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1q38 n GLY 44 N 4.75 0.00 0.00 -3.33 0.00 -1.26 -5.09 105.19 100.25 1q38 n GLY 44 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1q38 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q38 n LEU 45 N 0.00 0.00 -3.94 0.99 7.99 -1.26 -5.04 117.00 115.73 1q38 n LEU 45 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 1q38 n LEU 45 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 1q38 n LEU 45 CO 0.00 0.00 -0.26 -0.54 -1.51 0.00 0.00 177.39 175.08 1q38 s LYS 46 N 0.00 0.46 0.21 3.23 1.02 -1.26 -4.92 119.74 118.48 1q38 s LYS 46 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 1q38 s LYS 46 Cb 0.00 0.18 -0.08 0.00 -0.52 0.00 0.00 37.83 37.41 1q38 s LYS 46 CO 0.00 -0.10 1.08 -1.25 -0.92 0.00 0.00 175.35 174.16 1q38 s PRO 47 N -1.98 4.64 0.00 -1.68 0.04 -1.25 -3.33 135.00 131.44 1q38 s PRO 47 Ca -0.11 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1q38 s PRO 47 Cb -0.05 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1q38 s PRO 47 CO -0.02 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1q38 n GLY 48 N 1.75 2.27 3.28 0.56 0.00 -1.26 -4.97 105.19 106.82 1q38 n GLY 48 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1q38 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q38 s VAL 49 N -2.32 2.13 -0.09 1.61 0.11 -1.21 -4.98 120.40 115.65 1q38 s VAL 49 Ca 0.00 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 57.98 1q38 s VAL 49 Cb 0.00 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1q38 s VAL 49 CO 0.00 0.57 0.06 -0.69 -3.33 0.00 0.00 175.10 171.71 1q38 s VAL 50 N -0.13 4.76 -0.26 2.04 1.01 -1.26 -4.60 120.40 121.96 1q38 s VAL 50 Ca -0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1q38 s VAL 50 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1q38 s VAL 50 CO 0.04 0.58 0.08 -0.31 0.00 0.00 0.00 175.10 175.49 1q38 s TYR 51 N -0.97 3.10 0.11 5.22 1.51 -1.11 -0.57 117.35 124.63 1q38 s TYR 51 Ca 0.15 -0.45 -0.24 0.00 -1.01 0.00 0.00 57.07 55.52 1q38 s TYR 51 Cb -0.12 -2.25 -0.07 0.00 -0.11 0.00 0.00 41.96 39.41 1q38 s TYR 51 CO 0.04 -0.37 0.73 -1.83 -1.11 0.00 0.00 175.55 173.01 1q38 s GLU 52 N 1.61 4.47 -0.01 -0.62 4.04 0.51 -2.86 118.70 125.85 1q38 s GLU 52 Ca 0.06 1.04 -0.05 0.00 0.04 0.00 0.00 54.97 56.06 1q38 s GLU 52 Cb -0.15 -3.29 0.00 0.00 0.02 0.00 0.00 34.13 30.71 1q38 s GLU 52 CO 0.04 0.50 0.11 0.20 -1.84 0.00 0.00 175.26 174.27 1q38 s GLY 53 N -0.82 0.02 -0.02 -3.83 0.00 -0.22 -0.78 107.32 101.67 1q38 s GLY 53 Ca 0.35 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.07 1q38 s GLY 53 CO 0.24 -0.12 -0.08 -0.86 0.00 0.00 0.00 173.10 172.28 1q38 s GLN 54 N -0.87 0.79 -0.44 2.90 -2.07 1.00 0.34 119.66 121.30 1q38 s GLN 54 Ca -0.10 -0.26 -0.14 0.00 -1.82 0.00 0.00 55.36 53.05 1q38 s GLN 54 Cb -0.06 -0.75 0.06 0.00 -1.09 0.00 0.00 33.01 31.17 1q38 s GLN 54 CO 0.01 0.11 0.33 -0.51 -1.32 0.00 0.00 175.29 173.91 1q38 s LEU 55 N 0.13 5.33 -0.27 2.60 1.43 -0.48 -1.32 118.68 126.10 1q38 s LEU 55 Ca -0.02 -1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 51.69 1q38 s LEU 55 Cb -0.07 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1q38 s LEU 55 CO 0.00 -0.56 0.42 -0.63 0.23 0.00 0.00 176.35 175.81 1q38 s ILE 56 N 1.60 5.14 -0.18 -0.59 1.09 0.55 -2.78 121.20 126.03 1q38 s ILE 56 Ca 0.04 0.61 -0.07 0.00 -1.10 0.00 0.00 60.65 60.13 1q38 s ILE 56 Cb -0.22 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 1q38 s ILE 56 CO 0.06 0.11 0.06 -0.55 -0.10 0.00 0.00 174.94 174.53 1q38 s SER 57 N 1.63 5.65 -0.14 3.58 0.15 0.25 0.11 113.70 124.93 1q38 s SER 57 Ca 0.17 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 1q38 s SER 57 Cb -0.16 -1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1q38 s SER 57 CO 0.10 0.18 -0.11 -0.63 1.20 0.00 0.00 173.24 173.98 1q38 s ILE 58 N 0.32 3.17 0.44 6.45 1.01 -0.25 -1.69 121.20 130.64 1q38 s ILE 58 Ca 0.03 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1q38 s ILE 58 Cb -0.12 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.01 1q38 s ILE 58 CO 0.00 0.51 0.13 0.00 0.00 0.00 0.00 174.94 175.58 1q38 n GLN 59 N 3.67 0.91 0.00 2.79 10.64 -1.26 -1.88 117.38 132.26 1q38 n GLN 59 Ca -0.18 -3.00 0.09 0.00 -1.83 0.00 0.00 57.00 52.08 1q38 n GLN 59 Cb 0.52 0.62 0.43 0.00 -0.86 0.00 0.00 30.24 30.96 1q38 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1q38 n GLN 60 N -1.26 0.09 0.00 2.61 10.64 -1.26 -2.13 117.38 126.08 1q38 n GLN 60 Ca -0.11 0.15 0.12 0.00 -1.83 0.00 0.00 57.00 55.33 1q38 n GLN 60 Cb 0.53 -1.50 0.20 0.00 -0.86 0.00 0.00 30.24 28.61 1q38 n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1q38 n TYR 61 N -1.43 0.00 -2.16 2.61 4.02 -1.26 -4.96 117.16 113.99 1q38 n TYR 61 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.91 1q38 n TYR 61 Cb 0.20 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q38 n GLY 62 N 1.37 0.29 3.42 2.72 0.00 -0.90 -5.05 105.19 107.04 1q38 n GLY 62 Ca 0.11 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1q38 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q38 n HIS 63 N -3.85 -3.23 -3.38 1.61 8.25 -1.26 -4.93 115.22 108.43 1q38 n HIS 63 Ca -0.04 -1.43 -0.13 0.00 -0.26 0.00 0.00 57.72 55.87 1q38 n HIS 63 Cb 0.53 -0.71 -0.09 0.00 1.12 0.00 0.00 29.99 30.84 1q38 n HIS 63 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1q38 s GLN 64 N -4.98 0.33 -0.21 -0.41 -0.21 -1.23 -4.12 119.66 108.83 1q38 s GLN 64 Ca 0.60 0.19 -0.13 0.00 0.02 0.00 0.00 55.36 56.04 1q38 s GLN 64 Cb -0.03 -0.61 -0.04 0.00 1.00 0.00 0.00 33.01 33.33 1q38 s GLN 64 CO 0.41 -0.85 0.28 -2.00 -2.12 0.00 0.00 175.29 171.01 1q38 s GLU 65 N 2.46 4.14 -0.04 2.91 -6.30 -0.68 -4.81 118.70 116.38 1q38 s GLU 65 Ca 0.10 -0.01 0.02 0.00 -2.50 0.00 0.00 54.97 52.58 1q38 s GLU 65 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 34.13 30.47 1q38 s GLU 65 CO -0.24 0.03 -0.10 0.54 0.02 0.00 0.00 175.26 175.52 1q38 s VAL 66 N 1.12 0.86 -0.05 3.70 0.11 -1.21 0.85 120.40 125.78 1q38 s VAL 66 Ca 0.14 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1q38 s VAL 66 Cb -0.14 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1q38 s VAL 66 CO 0.06 0.27 0.02 -0.89 -3.33 0.00 0.00 175.10 171.23 1q38 s THR 67 N 0.35 0.20 0.30 5.04 2.01 -1.12 -4.89 115.64 117.53 1q38 s THR 67 Ca -0.06 0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 1q38 s THR 67 Cb -0.11 -0.37 -0.09 0.00 0.01 0.00 0.00 72.50 71.94 1q38 s THR 67 CO 0.01 0.21 0.78 -0.13 -0.69 0.00 0.00 174.62 174.80 1q38 s ARG 68 N 1.78 4.18 -0.19 4.92 0.52 -1.26 -1.38 118.95 127.52 1q38 s ARG 68 Ca 0.01 0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 55.87 1q38 s ARG 68 Cb -0.13 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.79 1q38 s ARG 68 CO -0.04 0.24 0.58 -0.59 0.02 0.00 0.00 175.30 175.52 1q38 s PHE 69 N -1.79 -0.62 -0.18 -0.53 -0.12 0.15 -4.97 117.98 109.92 1q38 s PHE 69 Ca 0.50 1.47 -0.02 0.00 -0.05 0.00 0.00 56.93 58.83 1q38 s PHE 69 Cb -0.13 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.48 1q38 s PHE 69 CO 0.19 -0.34 -0.10 -0.51 -0.05 0.00 0.00 175.22 174.41 1q38 s ASP 70 N 0.08 4.00 0.02 1.98 1.01 -1.26 -1.06 116.67 121.44 1q38 s ASP 70 Ca -0.02 -0.42 -0.03 0.00 0.71 0.00 0.00 52.55 52.80 1q38 s ASP 70 Cb -0.04 -1.65 -0.02 0.00 1.01 0.00 0.00 42.92 42.23 1q38 s ASP 70 CO 0.02 0.05 0.03 0.72 0.21 0.00 0.00 175.17 176.19 1q38 s PHE 71 N 1.07 0.23 -0.05 4.23 -0.71 -1.13 -4.73 117.98 116.88 1q38 s PHE 71 Ca 0.00 -0.49 -0.06 0.00 -1.04 0.00 0.00 56.93 55.34 1q38 s PHE 71 Cb -0.15 -0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.51 1q38 s PHE 71 CO -0.02 -0.26 0.17 0.95 -1.34 0.00 0.00 175.22 174.72 1q38 s THR 72 N -1.86 0.02 0.25 -4.49 -4.23 -1.26 -2.76 115.64 101.31 1q38 s THR 72 Ca -0.12 -0.16 0.16 0.00 -1.18 0.00 0.00 61.69 60.39 1q38 s THR 72 Cb -0.06 -0.29 0.09 0.00 1.34 0.00 0.00 72.50 73.58 1q38 s THR 72 CO -0.02 -0.09 1.74 0.00 -0.54 0.00 0.00 174.62 175.72 1q38 h THR 73 N 4.73 1.09 0.00 3.99 1.03 -1.88 -3.40 112.91 118.46 1q38 h THR 73 Ca -0.26 -1.57 -0.13 0.00 -0.01 0.00 0.00 66.41 64.44 1q38 h THR 73 Cb 1.20 1.90 -0.12 0.00 -1.07 0.00 0.00 68.15 70.06 1q38 h THR 73 CO 0.40 0.41 -0.02 1.07 -0.01 0.00 0.00 175.52 177.37 1q38 n THR 74 N -3.72 0.00 0.00 0.00 5.66 -1.26 -4.98 114.28 109.98 1q38 n THR 74 Ca -0.01 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.18 1q38 n THR 74 Cb 0.50 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.44 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1q38 n SER 75 N 0.47 0.00 -2.33 1.09 2.88 -1.26 -3.93 113.62 110.54 1q38 n SER 75 Ca -0.04 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.47 1q38 n SER 75 Cb 0.75 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.22 1q38 n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1q38 n THR 76 N 0.00 0.00 -3.42 2.46 5.66 -1.26 -4.74 114.28 112.97 1q38 n THR 76 Ca 0.00 -0.44 -0.18 0.00 -3.05 0.00 0.00 64.05 60.38 1q38 n THR 76 Cb 0.00 0.53 0.07 0.00 -1.55 0.00 0.00 70.33 69.38 1q38 n THR 76 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1q38 n SER 77 N -1.13 -3.98 -3.15 1.09 7.64 -1.26 -4.48 113.62 108.36 1q38 n SER 77 Ca -0.03 -0.72 -0.23 0.00 1.01 0.00 0.00 58.87 58.91 1q38 n SER 77 Cb 0.37 -4.85 -0.06 0.00 -1.01 0.00 0.00 64.21 58.66 1q38 n SER 77 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1q38 n THR 78 N -3.81 -0.64 0.38 0.44 -2.24 -1.26 -4.46 114.28 102.69 1q38 n THR 78 Ca -0.19 -3.78 -0.19 0.00 -2.27 0.00 0.00 64.05 57.62 1q38 n THR 78 Cb 0.65 -1.64 -0.10 0.00 -2.10 0.00 0.00 70.33 67.13 1q38 n THR 78 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1q38 h PRO 79 N 4.00 -1.08 0.00 -0.78 0.11 -1.94 -3.48 132.00 128.83 1q38 h PRO 79 Ca 0.05 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1q38 h PRO 79 Cb 0.89 0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1q38 h PRO 79 CO 0.45 -0.72 0.00 0.41 -0.21 0.00 0.00 178.00 177.92 1q38 n GLY 80 N -1.60 3.17 3.53 -0.55 0.00 -1.26 -5.01 105.19 103.47 1q38 n GLY 80 Ca -0.14 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1q38 n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q38 s SER 81 N 0.00 6.60 -0.04 1.61 1.04 -1.25 -4.63 113.70 117.04 1q38 s SER 81 Ca 0.00 -1.80 -0.19 0.00 0.48 0.00 0.00 55.95 54.44 1q38 s SER 81 Cb 0.00 -2.52 -0.32 0.00 0.10 0.00 0.00 66.02 63.28 1q38 s SER 81 CO 0.00 -1.32 0.85 0.03 0.98 0.00 0.00 173.24 173.79 1q38 h ARG 82 N 9.16 0.35 0.00 4.02 2.47 -1.95 -3.47 114.38 124.96 1q38 h ARG 82 Ca 0.22 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1q38 h ARG 82 Cb 0.99 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1q38 h ARG 82 CO 1.34 1.29 0.00 0.45 0.56 0.00 0.00 179.97 183.61 1q38 n SER 83 N -3.97 -0.79 -3.63 7.04 2.88 -1.26 -5.03 113.62 108.86 1q38 n SER 83 Ca -0.17 0.33 -0.27 0.00 -1.33 0.00 0.00 58.87 57.43 1q38 n SER 83 Cb 0.92 0.90 -0.11 0.00 -0.75 0.00 0.00 64.21 65.16 1q38 n SER 83 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1q38 n HIS 84 N -3.01 1.37 0.00 0.66 8.25 -1.26 -5.06 115.22 116.17 1q38 n HIS 84 Ca 0.00 -3.85 0.00 0.00 -0.26 0.00 0.00 57.72 53.61 1q38 n HIS 84 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q38 n HIS 85 N 2.22 0.00 0.19 4.41 -0.00 -1.26 -0.23 115.22 120.55 1q38 n HIS 85 Ca 0.25 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 58.07 1q38 n HIS 85 Cb 0.42 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.52 1q38 n HIS 85 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1q38 h HIS 86 N 0.00 0.00 -5.07 4.41 -0.00 -1.98 -3.34 115.15 109.17 1q38 h HIS 86 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 60.37 59.96 1q38 h HIS 86 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 27.50 1q38 h HIS 86 CO 0.00 0.10 -0.64 1.58 -0.00 0.00 0.00 177.93 178.97 1q38 n HIS 87 N -3.06 -2.36 -2.23 2.45 -0.00 0.68 -4.92 115.22 105.78 1q38 n HIS 87 Ca 0.03 0.73 -0.42 0.00 -0.00 0.00 0.00 57.72 58.06 1q38 n HIS 87 Cb 0.57 -4.72 -0.03 0.00 -0.00 0.00 0.00 29.99 25.81 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1q38 s HIS 88 N -3.24 2.90 0.00 1.57 2.46 -1.26 -5.06 115.29 112.66 1q38 s HIS 88 Ca 0.43 0.85 0.00 0.00 0.47 0.00 0.00 55.06 56.81 1q38 s HIS 88 Cb -0.19 -3.65 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 1q38 s HIS 88 CO 0.53 -2.38 0.00 1.58 -2.47 0.00 0.00 174.74 172.00