#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcq s ASN 2 N 0.00 6.95 0.68 7.83 4.22 -1.26 -4.77 114.94 128.60 1pcq s ASN 2 Ca 0.00 1.67 -0.05 0.00 -2.14 0.00 0.00 52.86 52.34 1pcq s ASN 2 Cb 0.00 -2.53 0.07 0.00 1.28 0.00 0.00 41.25 40.07 1pcq s ASN 2 CO 0.00 -0.33 0.97 0.27 -2.04 0.00 0.00 177.10 175.98 1pcq s ILE 3 N -2.13 2.33 -0.31 0.54 -5.25 -1.26 -5.10 121.20 110.03 1pcq s ILE 3 Ca 0.61 -0.37 0.01 0.00 -0.99 0.00 0.00 60.65 59.90 1pcq s ILE 3 Cb -0.10 -2.96 0.15 0.00 2.95 0.00 0.00 42.46 42.50 1pcq s ILE 3 CO 0.14 0.00 0.35 -0.60 -1.79 0.00 0.00 174.94 173.04 1pcq s ARG 4 N -5.16 0.41 0.54 0.37 6.06 -1.26 -5.01 118.95 114.90 1pcq s ARG 4 Ca 0.61 -0.18 -0.19 0.00 -2.50 0.00 0.00 55.73 53.46 1pcq s ARG 4 Cb -0.10 -0.55 -0.06 0.00 0.06 0.00 0.00 34.95 34.30 1pcq s ARG 4 CO 0.44 -1.06 1.11 -1.25 -2.50 0.00 0.00 175.30 172.04 1pcq s PRO 5 N 2.25 3.41 -1.05 5.12 0.04 -1.26 -4.97 135.00 138.54 1pcq s PRO 5 Ca 0.11 1.56 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 1pcq s PRO 5 Cb -0.13 -2.02 0.26 0.00 0.04 0.00 0.00 34.50 32.65 1pcq s PRO 5 CO -0.27 -0.79 1.03 -1.17 0.04 0.00 0.00 177.00 175.83 1pcq s LEU 6 N -3.80 6.32 0.01 -3.56 1.98 -1.26 -4.25 118.68 114.11 1pcq s LEU 6 Ca 0.71 -3.47 0.00 0.00 -2.89 0.00 0.00 54.13 48.48 1pcq s LEU 6 Cb -0.22 -2.18 0.00 0.00 0.66 0.00 0.00 46.19 44.45 1pcq s LEU 6 CO 0.26 -0.32 0.00 0.00 -1.89 0.00 0.00 176.35 174.41 1pcq n HIS 7 N 2.85 -0.11 0.00 5.38 1.44 -1.26 -4.17 115.22 119.36 1pcq n HIS 7 Ca 0.22 0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 1pcq n HIS 7 Cb 0.40 -0.57 0.00 0.00 0.12 0.00 0.00 29.99 29.94 1pcq n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1pcq n ASP 8 N 0.88 0.00 -4.84 4.39 2.03 -1.17 -4.73 116.55 113.11 1pcq n ASP 8 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1pcq n ASP 8 Cb 0.00 -0.19 -0.06 0.00 -0.72 0.00 0.00 41.12 40.16 1pcq n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1pcq s ARG 9 N 0.00 3.95 -0.05 -0.67 1.81 -1.26 -2.20 118.95 120.53 1pcq s ARG 9 Ca 0.00 0.45 0.05 0.00 -1.72 0.00 0.00 55.73 54.50 1pcq s ARG 9 Cb 0.00 -3.18 -0.00 0.00 -0.45 0.00 0.00 34.95 31.31 1pcq s ARG 9 CO 0.00 0.66 -0.19 0.08 -0.68 0.00 0.00 175.30 175.17 1pcq s VAL 10 N -1.14 1.59 -0.27 3.52 1.01 0.83 -2.02 120.40 123.92 1pcq s VAL 10 Ca 0.26 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 1pcq s VAL 10 Cb -0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1pcq s VAL 10 CO 0.15 0.45 0.11 -0.63 0.00 0.00 0.00 175.10 175.18 1pcq s ILE 11 N 0.01 4.56 0.14 2.22 1.01 -0.62 -2.45 121.20 126.07 1pcq s ILE 11 Ca -0.04 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1pcq s ILE 11 Cb -0.12 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1pcq s ILE 11 CO 0.03 0.26 -0.15 0.68 0.00 0.00 0.00 174.94 175.76 1pcq s VAL 12 N 1.64 1.48 -0.12 2.92 -7.23 -0.60 -0.72 120.40 117.77 1pcq s VAL 12 Ca 0.06 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1pcq s VAL 12 Cb -0.16 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 1pcq s VAL 12 CO 0.06 -0.42 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.64 1pcq s LYS 13 N -2.84 3.16 0.86 4.82 -2.85 -0.63 -0.31 119.74 121.95 1pcq s LYS 13 Ca 0.12 -0.80 -0.12 0.00 -1.00 0.00 0.00 55.97 54.17 1pcq s LYS 13 Cb -0.04 -2.47 0.09 0.00 -2.06 0.00 0.00 37.83 33.34 1pcq s LYS 13 CO 0.04 0.13 1.01 -2.13 0.10 0.00 0.00 175.35 174.50 1pcq n ARG 14 N 3.71 -0.09 0.00 1.78 0.63 -1.26 -1.60 116.66 119.83 1pcq n ARG 14 Ca -0.19 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1pcq n ARG 14 Cb 0.52 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1pcq n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1pcq n LYS 15 N -3.15 3.25 -3.16 -0.14 5.02 -0.60 -4.83 118.16 114.55 1pcq n LYS 15 Ca 0.12 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.02 1pcq n LYS 15 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 1pcq n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pcq s GLU 16 N 4.10 4.35 -0.47 1.97 0.41 -1.26 -4.94 118.70 122.86 1pcq s GLU 16 Ca 0.00 0.66 -0.27 0.00 -0.41 0.00 0.00 54.97 54.95 1pcq s GLU 16 Cb 0.00 -3.48 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 1pcq s GLU 16 CO 0.00 0.02 2.04 0.08 -0.49 0.00 0.00 175.26 176.90 1pcq s VAL 17 N 1.03 3.25 -1.00 2.63 1.01 -1.26 -3.65 120.40 122.41 1pcq s VAL 17 Ca 0.31 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.35 1pcq s VAL 17 Cb -0.16 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1pcq s VAL 17 CO 0.13 -0.45 0.70 -0.62 0.00 0.00 0.00 175.10 174.86 1pcq n GLU 18 N 8.91 -1.12 -1.58 2.72 1.02 -1.26 -4.69 120.64 124.63 1pcq n GLU 18 Ca 0.26 0.61 -0.62 0.00 -0.02 0.00 0.00 57.16 57.40 1pcq n GLU 18 Cb 0.51 -3.39 -0.10 0.00 -0.02 0.00 0.00 31.44 28.44 1pcq n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1pcq n THR 19 N -3.54 0.09 -1.83 2.62 -1.04 -1.24 -4.62 114.28 104.71 1pcq n THR 19 Ca -0.16 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 1pcq n THR 19 Cb 0.61 -0.77 -0.07 0.00 -1.82 0.00 0.00 70.33 68.27 1pcq n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pcq s LYS 20 N 4.24 1.96 0.00 -2.82 3.01 -1.26 -3.63 119.74 121.24 1pcq s LYS 20 Ca 1.08 -0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.63 1pcq s LYS 20 Cb -1.34 -5.03 0.00 0.00 -1.01 0.00 0.00 37.83 30.44 1pcq s LYS 20 CO 0.71 -4.35 0.00 -1.13 0.51 0.00 0.00 175.35 171.09 1pcq n SER 21 N 16.64 0.00 -4.58 2.83 3.41 -1.24 -4.70 113.62 125.98 1pcq n SER 21 Ca 0.43 -0.10 -0.48 0.00 -0.26 0.00 0.00 58.87 58.45 1pcq n SER 21 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1pcq n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcq n ALA 22 N 0.00 -0.70 -0.75 7.33 0.00 -1.24 -1.80 120.51 123.35 1pcq n ALA 22 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1pcq n ALA 22 Cb 0.03 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1pcq n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcq n GLY 23 N 1.95 0.71 0.00 0.00 0.00 -1.26 -4.45 105.19 102.14 1pcq n GLY 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1pcq n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pcq n GLY 24 N -2.49 1.28 0.09 -0.02 0.00 -0.74 -4.65 105.19 98.66 1pcq n GLY 24 Ca 0.00 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.16 1pcq n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pcq n ILE 25 N 0.00 0.50 -2.02 -0.61 5.41 -1.26 -4.83 119.36 116.55 1pcq n ILE 25 Ca 0.00 -0.46 -0.42 0.00 1.00 0.00 0.00 62.75 62.87 1pcq n ILE 25 Cb 0.00 -0.23 -0.03 0.00 -0.71 0.00 0.00 39.64 38.67 1pcq n ILE 25 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1pcq s VAL 26 N -3.32 2.87 -1.01 1.39 1.01 -1.26 -4.92 120.40 115.17 1pcq s VAL 26 Ca 0.01 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 1pcq s VAL 26 Cb 0.11 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 33.21 1pcq s VAL 26 CO 0.78 0.05 1.26 -0.22 0.00 0.00 0.00 175.10 176.97 1pcq s LEU 27 N 1.02 4.75 -0.48 3.92 0.20 -1.26 -3.61 118.68 123.21 1pcq s LEU 27 Ca 0.67 -2.13 -0.27 0.00 0.69 0.00 0.00 54.13 53.10 1pcq s LEU 27 Cb -0.41 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 42.86 1pcq s LEU 27 CO 0.32 -1.09 2.18 0.28 -0.29 0.00 0.00 176.35 177.75 1pcq s THR 28 N 2.94 3.14 0.63 3.68 -1.32 -1.26 -4.94 115.64 118.52 1pcq s THR 28 Ca 0.37 0.10 -0.17 0.00 -1.21 0.00 0.00 61.69 60.78 1pcq s THR 28 Cb -0.03 -3.33 -0.01 0.00 -1.51 0.00 0.00 72.50 67.61 1pcq s THR 28 CO -0.07 -0.30 1.20 -0.83 -2.21 0.00 0.00 174.62 172.41 1pcq s GLY 29 N 10.13 2.59 -0.51 6.08 0.00 -1.26 -4.70 107.32 119.64 1pcq s GLY 29 Ca 0.88 0.94 -0.33 0.00 0.00 0.00 0.00 44.72 46.20 1pcq s GLY 29 CO 0.26 1.33 2.33 -1.26 0.00 0.00 0.00 173.10 175.76 1pcq n SER 30 N -1.95 1.70 -2.09 1.64 2.88 -1.26 -4.80 113.62 109.74 1pcq n SER 30 Ca 0.13 0.21 -0.20 0.00 -1.33 0.00 0.00 58.87 57.68 1pcq n SER 30 Cb 0.50 -1.23 0.20 0.00 -0.75 0.00 0.00 64.21 62.92 1pcq n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcq n ALA 31 N 10.97 5.36 -2.73 -1.46 0.00 -1.26 -4.93 120.51 126.46 1pcq n ALA 31 Ca 0.46 -2.87 -0.06 0.00 0.00 0.00 0.00 53.44 50.98 1pcq n ALA 31 Cb 0.23 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.34 1pcq n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcq n ALA 32 N -1.04 -3.09 -3.83 0.00 0.00 -1.26 -5.09 120.51 106.19 1pcq n ALA 32 Ca 0.55 0.99 -0.06 0.00 0.00 0.00 0.00 53.44 54.92 1pcq n ALA 32 Cb 1.58 -3.08 0.01 0.00 0.00 0.00 0.00 19.45 17.96 1pcq n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcq s ALA 33 N -2.32 -1.16 0.15 0.00 0.00 -1.26 -5.20 121.76 111.96 1pcq s ALA 33 Ca 0.19 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1pcq s ALA 33 Cb -0.05 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1pcq s ALA 33 CO 0.71 -1.02 0.07 1.17 0.00 0.00 0.00 175.76 176.69 1pcq n LYS 34 N -0.57 0.65 -4.35 0.00 3.00 -1.26 -4.84 118.16 110.80 1pcq n LYS 34 Ca -0.06 -1.28 -0.34 0.00 -0.00 0.00 0.00 58.31 56.64 1pcq n LYS 34 Cb 0.60 0.77 -0.09 0.00 0.00 0.00 0.00 35.03 36.31 1pcq n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pcq s SER 35 N -1.92 5.15 0.00 3.14 0.15 -1.26 -4.43 113.70 114.53 1pcq s SER 35 Ca 0.09 0.07 0.18 0.00 0.70 0.00 0.00 55.95 56.99 1pcq s SER 35 Cb 0.00 -1.39 0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1pcq s SER 35 CO 0.07 0.33 0.96 0.35 1.20 0.00 0.00 173.24 176.15 1pcq n THR 36 N 1.81 0.00 -3.80 6.45 -2.24 -1.26 -4.89 114.28 110.36 1pcq n THR 36 Ca -0.17 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 1pcq n THR 36 Cb 0.53 1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.99 1pcq n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pcq s ARG 37 N -1.84 3.52 0.23 -0.78 3.00 -1.26 -2.30 118.95 119.51 1pcq s ARG 37 Ca 0.17 -0.31 -0.22 0.00 0.00 0.00 0.00 55.73 55.37 1pcq s ARG 37 Cb 0.14 -2.93 0.04 0.00 0.00 0.00 0.00 34.95 32.20 1pcq s ARG 37 CO 0.36 0.52 0.75 0.20 0.00 0.00 0.00 175.30 177.14 1pcq s GLY 38 N -2.62 -0.22 -0.06 -3.53 0.00 -0.61 -1.56 107.32 98.72 1pcq s GLY 38 Ca 0.38 -0.05 0.04 0.00 0.00 0.00 0.00 44.72 45.08 1pcq s GLY 38 CO 0.27 -0.02 -0.16 1.85 0.00 0.00 0.00 173.10 175.05 1pcq s GLU 39 N -3.74 2.61 0.17 2.90 2.12 -0.63 -0.66 118.70 121.47 1pcq s GLU 39 Ca 0.09 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1pcq s GLU 39 Cb -0.04 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.90 1pcq s GLU 39 CO 0.02 0.54 1.12 0.08 -0.54 0.00 0.00 175.26 176.49 1pcq s VAL 40 N -0.52 3.83 -0.02 3.70 1.01 -0.85 -1.60 120.40 125.94 1pcq s VAL 40 Ca 0.07 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.61 1pcq s VAL 40 Cb -0.12 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1pcq s VAL 40 CO 0.01 0.25 -0.01 0.18 0.00 0.00 0.00 175.10 175.54 1pcq n LEU 41 N 2.50 1.63 -3.65 3.92 4.77 0.10 -2.40 117.00 123.88 1pcq n LEU 41 Ca 0.03 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1pcq n LEU 41 Cb 0.46 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1pcq n LEU 41 CO 0.54 0.32 0.24 0.00 -1.33 0.00 0.00 177.39 177.16 1pcq s ALA 42 N -2.05 -1.33 -0.03 -1.18 0.00 -1.22 -4.87 121.76 111.08 1pcq s ALA 42 Ca -0.02 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1pcq s ALA 42 Cb 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1pcq s ALA 42 CO 0.07 -0.30 -0.09 0.08 0.00 0.00 0.00 175.76 175.53 1pcq s VAL 43 N -0.65 0.77 1.03 0.00 1.01 -1.26 -1.59 120.40 119.72 1pcq s VAL 43 Ca -0.07 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1pcq s VAL 43 Cb -0.03 -0.70 0.22 0.00 0.00 0.00 0.00 36.38 35.88 1pcq s VAL 43 CO 0.05 0.25 1.25 -0.83 0.00 0.00 0.00 175.10 175.81 1pcq s GLY 44 N 0.30 1.71 0.06 4.51 0.00 -0.86 -4.76 107.32 108.28 1pcq s GLY 44 Ca -0.05 -1.10 -0.34 0.00 0.00 0.00 0.00 44.72 43.23 1pcq s GLY 44 CO 0.01 -0.30 1.52 3.43 0.00 0.00 0.00 173.10 177.76 1pcq h ASN 45 N -1.93 -1.12 0.00 1.64 2.35 -1.89 -3.42 115.58 111.21 1pcq h ASN 45 Ca -0.45 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1pcq h ASN 45 Cb 1.26 0.31 0.00 0.00 0.05 0.00 0.00 38.32 39.94 1pcq h ASN 45 CO 0.38 -0.73 0.00 0.61 -1.65 0.00 0.00 177.43 176.04 1pcq n GLY 46 N -1.60 -2.34 3.76 2.83 0.00 -1.26 -3.55 105.19 103.02 1pcq n GLY 46 Ca -0.15 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1pcq n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pcq s ARG 47 N -1.97 4.45 -0.02 1.61 3.52 -1.18 -3.06 118.95 122.30 1pcq s ARG 47 Ca 0.00 2.06 0.12 0.00 -0.13 0.00 0.00 55.73 57.78 1pcq s ARG 47 Cb 0.00 -3.13 -0.23 0.00 -1.56 0.00 0.00 34.95 30.03 1pcq s ARG 47 CO 0.00 -0.07 0.73 0.82 -0.81 0.00 0.00 175.30 175.98 1pcq h ILE 48 N 3.16 0.94 -1.75 4.11 2.04 -1.92 -3.18 117.51 120.92 1pcq h ILE 48 Ca -0.48 -2.78 -0.59 0.00 1.00 0.00 0.00 64.86 62.02 1pcq h ILE 48 Cb 1.22 2.47 0.16 0.00 -0.74 0.00 0.00 36.82 39.93 1pcq h ILE 48 CO 0.68 0.54 -1.00 0.18 0.00 0.00 0.00 178.15 178.55 1pcq n LEU 49 N -3.08 -3.09 0.00 1.44 4.77 -1.26 -3.01 117.00 112.77 1pcq n LEU 49 Ca -0.15 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1pcq n LEU 49 Cb 1.04 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1pcq n LEU 49 CO 0.45 -4.27 0.00 1.21 -1.33 0.00 0.00 177.39 173.45 1pcq n GLU 50 N 1.35 0.00 0.00 3.23 4.07 -1.26 -4.63 120.64 123.40 1pcq n GLU 50 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1pcq n GLU 50 Cb 0.41 -2.89 0.00 0.00 -0.06 0.00 0.00 31.44 28.90 1pcq n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1pcq n ASN 51 N 0.00 0.00 -1.98 4.31 5.15 -1.17 -4.90 115.26 116.68 1pcq n ASN 51 Ca 0.00 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 1pcq n ASN 51 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1pcq n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pcq n GLY 52 N 0.00 -0.15 6.13 8.20 0.00 -1.26 -4.66 105.19 113.46 1pcq n GLY 52 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1pcq n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pcq n GLU 53 N 3.63 0.00 -3.46 1.61 4.71 -1.26 -4.62 120.64 121.24 1pcq n GLU 53 Ca 0.27 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.30 1pcq n GLU 53 Cb -0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 1pcq n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pcq s VAL 54 N 0.00 -0.50 0.05 2.62 1.01 -1.26 -4.75 120.40 117.56 1pcq s VAL 54 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1pcq s VAL 54 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1pcq s VAL 54 CO 0.00 -0.10 1.06 -1.59 0.00 0.00 0.00 175.10 174.47 1pcq s LYS 55 N 2.47 4.53 0.80 2.72 -2.85 -1.20 -4.86 119.74 121.36 1pcq s LYS 55 Ca 0.08 1.56 -0.11 0.00 -1.00 0.00 0.00 55.97 56.50 1pcq s LYS 55 Cb -0.15 -3.40 0.08 0.00 -2.06 0.00 0.00 37.83 32.30 1pcq s LYS 55 CO -0.13 -0.08 1.12 -1.25 0.10 0.00 0.00 175.35 175.10 1pcq s PRO 56 N 0.81 1.90 0.58 1.78 0.04 -1.26 -3.08 135.00 135.77 1pcq s PRO 56 Ca 0.53 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 1pcq s PRO 56 Cb -0.25 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1pcq s PRO 56 CO 0.29 -1.94 0.95 -0.51 0.04 0.00 0.00 177.00 175.83 1pcq s LEU 57 N -5.99 3.33 -0.07 -3.56 1.43 -1.23 -4.90 118.68 107.69 1pcq s LEU 57 Ca 0.65 1.19 0.14 0.00 -1.03 0.00 0.00 54.13 55.08 1pcq s LEU 57 Cb -0.20 -4.17 0.53 0.00 0.03 0.00 0.00 46.19 42.38 1pcq s LEU 57 CO 0.54 -0.83 1.41 0.47 0.23 0.00 0.00 176.35 178.18 1pcq n ASP 58 N -2.60 3.55 -4.19 2.29 9.92 -1.26 -4.83 116.55 119.43 1pcq n ASP 58 Ca 0.04 -2.27 -0.33 0.00 -0.53 0.00 0.00 54.79 51.70 1pcq n ASP 58 Cb 0.55 -0.47 -0.16 0.00 -0.64 0.00 0.00 41.12 40.40 1pcq n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1pcq s VAL 59 N -1.67 2.34 0.28 2.53 -7.23 -1.26 -5.12 120.40 110.26 1pcq s VAL 59 Ca 0.38 -0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 59.59 1pcq s VAL 59 Cb 0.24 -1.98 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 1pcq s VAL 59 CO 0.20 0.53 0.60 -1.59 -0.31 0.00 0.00 175.10 174.53 1pcq s LYS 60 N 1.03 3.79 -0.33 4.82 -2.85 -1.26 -4.95 119.74 119.99 1pcq s LYS 60 Ca -0.01 0.30 -0.28 0.00 -1.00 0.00 0.00 55.97 54.97 1pcq s LYS 60 Cb -0.15 -2.59 -0.07 0.00 -2.06 0.00 0.00 37.83 32.97 1pcq s LYS 60 CO -0.05 0.23 2.29 0.28 0.10 0.00 0.00 175.35 178.20 1pcq n VAL 61 N -0.47 0.19 0.00 1.79 0.31 -1.26 -3.02 118.33 115.86 1pcq n VAL 61 Ca 0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1pcq n VAL 61 Cb 0.53 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 1pcq n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pcq n GLY 62 N 5.94 1.85 3.83 2.92 0.00 -1.01 -4.97 105.19 113.75 1pcq n GLY 62 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 1pcq n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pcq s ASP 63 N -1.99 6.92 -0.44 1.61 1.01 -1.17 -4.75 116.67 117.88 1pcq s ASP 63 Ca 0.00 1.49 -0.22 0.00 0.71 0.00 0.00 52.55 54.53 1pcq s ASP 63 Cb 0.00 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.50 1pcq s ASP 63 CO 0.00 -0.21 0.73 -0.63 0.21 0.00 0.00 175.17 175.27 1pcq s ILE 64 N -1.95 4.72 0.09 0.77 1.01 -1.26 -2.00 121.20 122.58 1pcq s ILE 64 Ca 0.55 0.36 0.09 0.00 0.00 0.00 0.00 60.65 61.65 1pcq s ILE 64 Cb -0.12 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1pcq s ILE 64 CO 0.17 -0.64 -0.23 0.68 0.00 0.00 0.00 174.94 174.92 1pcq s VAL 65 N 3.10 2.48 -0.22 2.92 -7.23 0.16 -0.28 120.40 121.33 1pcq s VAL 65 Ca 0.27 -1.48 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 1pcq s VAL 65 Cb -0.13 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1pcq s VAL 65 CO 0.21 0.22 0.13 -0.63 -0.31 0.00 0.00 175.10 174.72 1pcq s ILE 66 N -0.99 5.26 0.26 -0.62 1.01 -0.95 -1.57 121.20 123.60 1pcq s ILE 66 Ca 0.14 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.98 1pcq s ILE 66 Cb -0.10 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1pcq s ILE 66 CO 0.06 0.39 -0.02 0.72 0.00 0.00 0.00 174.94 176.09 1pcq s PHE 67 N 0.74 1.78 -0.25 3.97 -0.12 -0.97 -1.22 117.98 121.92 1pcq s PHE 67 Ca 0.07 -0.82 -0.14 0.00 -0.05 0.00 0.00 56.93 55.99 1pcq s PHE 67 Cb -0.13 -1.04 -0.04 0.00 -0.63 0.00 0.00 43.02 41.18 1pcq s PHE 67 CO 0.02 0.11 0.33 1.21 -0.05 0.00 0.00 175.22 176.84 1pcq s ASN 68 N -3.39 6.26 -1.42 1.98 3.84 -0.37 -4.84 114.94 117.00 1pcq s ASN 68 Ca 0.30 0.29 -0.10 0.00 0.21 0.00 0.00 52.86 53.56 1pcq s ASN 68 Cb 0.05 -2.19 -0.07 0.00 -0.55 0.00 0.00 41.25 38.49 1pcq s ASN 68 CO 0.11 -0.10 2.67 -0.67 -2.79 0.00 0.00 177.10 176.31 1pcq n ASP 69 N 4.92 7.26 -3.06 -4.21 -0.08 -1.26 -4.89 116.55 115.24 1pcq n ASP 69 Ca -0.10 -2.54 0.00 0.00 -1.51 0.00 0.00 54.79 50.65 1pcq n ASP 69 Cb 0.51 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1pcq n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pcq n GLY 70 N 3.70 -0.16 0.13 0.27 0.00 -1.26 -4.95 105.19 102.92 1pcq n GLY 70 Ca 0.67 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 1pcq n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pcq h TYR 71 N -0.03 0.72 0.00 1.61 3.20 -2.04 -3.30 116.97 117.13 1pcq h TYR 71 Ca 0.00 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1pcq h TYR 71 Cb 0.00 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1pcq h TYR 71 CO 0.00 1.37 0.00 0.41 -1.64 0.00 0.00 178.16 178.30 1pcq n GLY 72 N 1.55 -0.47 3.65 1.82 0.00 -1.26 -4.58 105.19 105.89 1pcq n GLY 72 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1pcq n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pcq s VAL 73 N -2.94 4.74 0.21 1.61 1.01 -1.24 -4.55 120.40 119.23 1pcq s VAL 73 Ca 0.00 1.70 0.09 0.00 0.00 0.00 0.00 61.98 63.77 1pcq s VAL 73 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1pcq s VAL 73 CO 0.00 -0.17 -0.08 -0.54 0.00 0.00 0.00 175.10 174.31 1pcq s LYS 74 N 3.06 2.10 -0.04 2.72 -0.14 -0.58 -4.94 119.74 121.92 1pcq s LYS 74 Ca 0.39 -1.33 0.04 0.00 -1.36 0.00 0.00 55.97 53.71 1pcq s LYS 74 Cb -0.15 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.83 1pcq s LYS 74 CO 0.08 0.41 -0.15 0.45 -0.76 0.00 0.00 175.35 175.39 1pcq s SER 75 N -3.07 4.01 0.15 2.83 0.15 -1.26 -1.01 113.70 115.50 1pcq s SER 75 Ca 0.27 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 1pcq s SER 75 Cb -0.08 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1pcq s SER 75 CO 0.16 0.34 0.10 -1.61 1.20 0.00 0.00 173.24 173.43 1pcq s GLU 76 N -0.77 1.03 -0.23 5.44 0.41 -0.57 -4.99 118.70 119.02 1pcq s GLU 76 Ca 0.12 -1.47 0.02 0.00 -0.41 0.00 0.00 54.97 53.23 1pcq s GLU 76 Cb -0.11 0.26 0.05 0.00 -1.78 0.00 0.00 34.13 32.55 1pcq s GLU 76 CO 0.01 -0.31 -0.13 0.21 -0.49 0.00 0.00 175.26 174.55 1pcq s LYS 77 N -4.07 2.38 -0.16 1.61 2.47 -1.26 -2.36 119.74 118.33 1pcq s LYS 77 Ca 0.28 -1.11 0.00 0.00 -1.56 0.00 0.00 55.97 53.58 1pcq s LYS 77 Cb 0.07 -2.71 0.03 0.00 -1.46 0.00 0.00 37.83 33.76 1pcq s LYS 77 CO 0.05 -0.45 -0.11 0.42 0.16 0.00 0.00 175.35 175.41 1pcq s ILE 78 N 1.21 1.51 -1.68 5.43 1.09 -1.03 -4.70 121.20 123.03 1pcq s ILE 78 Ca -0.04 -0.74 0.00 0.00 -1.10 0.00 0.00 60.65 58.78 1pcq s ILE 78 Cb -0.17 -1.51 0.00 0.00 -1.06 0.00 0.00 42.46 39.72 1pcq s ILE 78 CO -0.08 0.32 0.00 0.47 -0.10 0.00 0.00 174.94 175.55 1pcq n ASP 79 N 4.76 -4.54 -0.96 3.58 8.00 -1.26 -0.35 116.55 125.79 1pcq n ASP 79 Ca -0.15 0.33 -0.07 0.00 0.71 0.00 0.00 54.79 55.61 1pcq n ASP 79 Cb 0.49 -4.02 0.01 0.00 -0.02 0.00 0.00 41.12 37.57 1pcq n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pcq n ASN 80 N -1.17 -2.77 -4.37 -2.24 2.85 -1.26 -5.08 115.26 101.23 1pcq n ASN 80 Ca -0.18 -0.06 -0.32 0.00 -0.11 0.00 0.00 54.58 53.91 1pcq n ASN 80 Cb 0.58 -1.82 -0.15 0.00 1.24 0.00 0.00 39.78 39.62 1pcq n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1pcq s GLU 81 N -4.70 2.58 -0.43 1.20 8.01 0.53 -5.09 118.70 120.79 1pcq s GLU 81 Ca 0.06 -0.79 -0.29 0.00 0.01 0.00 0.00 54.97 53.96 1pcq s GLU 81 Cb -0.03 -2.30 0.02 0.00 -4.31 0.00 0.00 34.13 27.51 1pcq s GLU 81 CO 0.08 0.49 1.30 -1.21 0.01 0.00 0.00 175.26 175.92 1pcq s GLU 82 N -0.39 3.65 0.26 1.61 0.41 -1.26 -2.47 118.70 120.50 1pcq s GLU 82 Ca 0.04 0.80 0.07 0.00 -0.41 0.00 0.00 54.97 55.47 1pcq s GLU 82 Cb -0.12 -3.97 -0.05 0.00 -1.78 0.00 0.00 34.13 28.20 1pcq s GLU 82 CO 0.02 -1.48 -0.08 0.14 -0.49 0.00 0.00 175.26 173.37 1pcq s VAL 83 N 5.01 1.69 0.02 2.63 -7.23 -1.00 -4.46 120.40 117.05 1pcq s VAL 83 Ca 0.56 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1pcq s VAL 83 Cb -0.11 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1pcq s VAL 83 CO 0.32 -0.37 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.85 1pcq s LEU 84 N -3.42 2.11 -0.13 1.32 1.02 0.58 -1.51 118.68 118.65 1pcq s LEU 84 Ca 0.28 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1pcq s LEU 84 Cb 0.02 -0.58 0.02 0.00 0.02 0.00 0.00 46.19 45.67 1pcq s LEU 84 CO 0.11 0.07 -0.11 -0.63 0.02 0.00 0.00 176.35 175.81 1pcq s ILE 85 N -0.61 1.28 0.29 -0.59 1.01 -0.18 -1.56 121.20 120.85 1pcq s ILE 85 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1pcq s ILE 85 Cb -0.06 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 1pcq s ILE 85 CO 0.00 0.41 0.37 0.00 0.00 0.00 0.00 174.94 175.72 1pcq s MET 86 N 1.55 1.67 0.47 2.79 0.23 -1.03 -1.53 119.30 123.45 1pcq s MET 86 Ca 0.04 -1.68 -0.00 0.00 -1.03 0.00 0.00 55.69 53.02 1pcq s MET 86 Cb -0.13 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.56 1pcq s MET 86 CO -0.09 -0.65 0.70 -1.54 -2.03 0.00 0.00 175.02 171.41 1pcq s SER 87 N -3.20 5.76 0.42 -1.18 1.04 -1.26 -0.12 113.70 115.16 1pcq s SER 87 Ca 0.32 0.30 0.14 0.00 0.48 0.00 0.00 55.95 57.20 1pcq s SER 87 Cb 0.02 -1.49 1.02 0.00 0.10 0.00 0.00 66.02 65.66 1pcq s SER 87 CO 0.18 -0.77 1.94 -0.08 0.98 0.00 0.00 173.24 175.48 1pcq h GLU 88 N 0.32 0.43 -0.79 4.02 4.81 -1.80 -1.61 114.58 119.95 1pcq h GLU 88 Ca -0.46 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 58.90 1pcq h GLU 88 Cb 1.26 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1pcq h GLU 88 CO 0.57 0.29 0.52 0.77 -0.73 0.00 0.00 179.01 180.43 1pcq h SER 89 N 0.45 0.45 1.12 1.04 0.02 -1.94 -0.15 113.55 114.53 1pcq h SER 89 Ca 0.34 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1pcq h SER 89 Cb 0.72 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1pcq h SER 89 CO -0.11 0.23 0.00 0.47 -1.14 0.00 0.00 176.83 176.28 1pcq n ASP 90 N -4.50 0.22 -4.76 3.07 8.00 -0.61 -4.76 116.55 113.22 1pcq n ASP 90 Ca 0.15 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.79 1pcq n ASP 90 Cb 0.52 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 1pcq n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pcq s ILE 91 N -3.03 4.95 -0.13 0.53 1.01 -0.07 -1.23 121.20 123.22 1pcq s ILE 91 Ca 0.13 1.22 0.06 0.00 0.00 0.00 0.00 60.65 62.06 1pcq s ILE 91 Cb 0.17 -3.92 -0.12 0.00 0.01 0.00 0.00 42.46 38.60 1pcq s ILE 91 CO 0.54 0.40 -0.04 0.18 0.00 0.00 0.00 174.94 176.03 1pcq n LEU 92 N 2.85 1.39 -3.81 2.97 4.77 -0.35 -4.97 117.00 119.85 1pcq n LEU 92 Ca -0.07 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1pcq n LEU 92 Cb 0.51 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1pcq n LEU 92 CO 0.44 0.50 0.53 0.00 -1.33 0.00 0.00 177.39 177.53 1pcq s ALA 93 N -2.29 -0.79 0.05 -1.18 0.00 -1.06 -5.01 121.76 111.48 1pcq s ALA 93 Ca -0.12 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1pcq s ALA 93 Cb 0.04 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1pcq s ALA 93 CO 0.41 -0.99 -0.17 0.42 0.00 0.00 0.00 175.76 175.44 1pcq s ILE 94 N -2.40 1.33 -0.51 0.00 1.01 -1.26 -2.25 121.20 117.12 1pcq s ILE 94 Ca 0.15 -1.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.48 1pcq s ILE 94 Cb -0.05 -1.20 0.10 0.00 0.01 0.00 0.00 42.46 41.32 1pcq s ILE 94 CO 0.11 0.02 0.46 -0.69 0.00 0.00 0.00 174.94 174.84 1pcq s VAL 95 N -0.93 5.20 -0.09 2.92 1.01 0.61 -4.94 120.40 124.18 1pcq s VAL 95 Ca 0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1pcq s VAL 95 Cb -0.09 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1pcq s VAL 95 CO 0.02 -0.75 -0.04 -1.61 0.00 0.00 0.00 175.10 172.72 1pcq s GLU 96 N 1.67 2.96 0.00 2.72 2.02 -1.26 -4.56 118.70 122.25 1pcq s GLU 96 Ca 0.04 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1pcq s GLU 96 Cb -0.27 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1pcq s GLU 96 CO 0.05 0.63 0.00 0.00 0.02 0.00 0.00 175.26 175.96