#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfl s SER 2 N 0.00 6.42 -1.28 1.61 0.01 -1.26 -4.97 113.70 114.23 1rfl s SER 2 Ca 0.00 -2.15 -0.14 0.00 1.31 0.00 0.00 55.95 54.96 1rfl s SER 2 Cb 0.00 -2.21 0.13 0.00 0.21 0.00 0.00 66.02 64.14 1rfl s SER 2 CO 0.00 -0.75 1.69 0.18 0.41 0.00 0.00 173.24 174.77 1rfl n LEU 3 N 4.74 5.54 -1.35 2.44 7.99 -1.26 -4.88 117.00 130.22 1rfl n LEU 3 Ca -0.03 -4.29 0.17 0.00 -0.01 0.00 0.00 56.01 51.85 1rfl n LEU 3 Cb 0.43 -1.64 -0.08 0.00 -0.11 0.00 0.00 43.42 42.02 1rfl n LEU 3 CO 0.46 0.70 -0.55 0.18 -1.51 0.00 0.00 177.39 176.66 1rfl n LEU 4 N 6.24 -0.93 -4.28 2.23 7.99 -1.26 -5.04 117.00 121.95 1rfl n LEU 4 Ca 0.43 2.17 -0.19 0.00 -0.01 0.00 0.00 56.01 58.40 1rfl n LEU 4 Cb 0.42 -3.31 -0.08 0.00 -0.11 0.00 0.00 43.42 40.34 1rfl n LEU 4 CO 0.73 -2.25 -0.10 -0.13 -1.51 0.00 0.00 177.39 174.13 1rfl s ARG 5 N -3.92 1.78 0.26 3.23 0.52 -1.26 -5.06 118.95 114.49 1rfl s ARG 5 Ca 0.00 -2.02 -0.10 0.00 -0.52 0.00 0.00 55.73 53.09 1rfl s ARG 5 Cb 0.00 0.33 -0.00 0.00 0.52 0.00 0.00 34.95 35.80 1rfl s ARG 5 CO 0.00 -0.66 0.46 -1.21 0.02 0.00 0.00 175.30 173.91 1rfl s GLU 6 N -3.41 1.60 0.00 3.54 2.02 -1.25 -1.64 118.70 119.58 1rfl s GLU 6 Ca 0.40 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1rfl s GLU 6 Cb 0.02 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.71 1rfl s GLU 6 CO 0.28 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1rfl n GLY 7 N -0.41 4.28 2.33 -1.39 0.00 -1.10 -4.44 105.19 104.45 1rfl n GLY 7 Ca -0.01 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1rfl n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1rfl n MET 8 N -1.53 0.46 -4.15 1.61 0.00 -1.26 -3.48 117.12 108.77 1rfl n MET 8 Ca 0.00 -1.99 -0.31 0.00 0.00 0.00 0.00 57.70 55.40 1rfl n MET 8 Cb 0.00 1.88 -0.16 0.00 0.00 0.00 0.00 33.22 34.93 1rfl n MET 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1rfl s LYS 9 N -2.60 2.47 -0.11 3.17 -2.85 -1.26 -4.96 119.74 113.59 1rfl s LYS 9 Ca 0.21 -0.63 0.03 0.00 -1.00 0.00 0.00 55.97 54.58 1rfl s LYS 9 Cb -0.00 -2.18 0.01 0.00 -2.06 0.00 0.00 37.83 33.59 1rfl s LYS 9 CO 0.15 -0.19 -0.20 0.14 0.10 0.00 0.00 175.35 175.35 1rfl s VAL 10 N 1.33 1.85 0.04 1.79 -7.23 -1.26 -2.26 120.40 114.66 1rfl s VAL 10 Ca 0.02 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 1rfl s VAL 10 Cb -0.13 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1rfl s VAL 10 CO -0.09 0.51 0.27 0.54 -0.31 0.00 0.00 175.10 176.02 1rfl s VAL 11 N 0.63 5.31 -0.45 1.32 0.11 -1.26 -4.98 120.40 121.08 1rfl s VAL 11 Ca -0.13 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1rfl s VAL 11 Cb -0.16 -3.59 0.15 0.00 -1.53 0.00 0.00 36.38 31.25 1rfl s VAL 11 CO 0.03 0.24 0.29 -0.63 -3.33 0.00 0.00 175.10 171.71 1rfl s ILE 12 N -1.42 1.11 -0.07 7.04 1.01 -1.26 -3.77 121.20 123.84 1rfl s ILE 12 Ca 0.32 -2.63 0.00 0.00 0.00 0.00 0.00 60.65 58.34 1rfl s ILE 12 Cb -0.13 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.59 1rfl s ILE 12 CO 0.21 -1.00 -0.05 0.00 0.00 0.00 0.00 174.94 174.10 1rfl s ALA 13 N 0.20 0.88 -0.31 9.38 0.00 -1.26 -4.98 121.76 125.67 1rfl s ALA 13 Ca 0.22 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 1rfl s ALA 13 Cb -0.15 -0.62 0.19 0.00 0.00 0.00 0.00 23.12 22.53 1rfl s ALA 13 CO -0.06 -0.20 1.05 0.20 0.00 0.00 0.00 175.76 176.75 1rfl s GLY 14 N 1.32 -1.31 0.13 0.00 0.00 -1.26 -4.63 107.32 101.58 1rfl s GLY 14 Ca -0.04 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1rfl s GLY 14 CO -0.02 4.23 0.00 -2.13 0.00 0.00 0.00 173.10 175.18 1rfl n ARG 15 N 4.22 -4.27 -2.45 2.90 0.00 -1.25 -4.68 116.66 111.13 1rfl n ARG 15 Ca 0.07 3.15 -0.42 0.00 -0.00 0.00 0.00 57.85 60.65 1rfl n ARG 15 Cb 0.61 -3.39 -0.03 0.00 0.00 0.00 0.00 32.46 29.66 1rfl n ARG 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1rfl s PRO 16 N -1.14 4.40 0.00 -0.14 0.04 -1.26 -4.35 135.00 132.56 1rfl s PRO 16 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1rfl s PRO 16 Cb 0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1rfl s PRO 16 CO 0.00 -0.33 0.00 -1.71 0.04 0.00 0.00 177.00 175.00 1rfl n ASN 17 N 4.51 -1.90 -1.03 6.66 5.15 -1.26 -5.05 115.26 122.35 1rfl n ASN 17 Ca 0.10 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.04 1rfl n ASN 17 Cb 0.46 -0.95 -0.02 0.00 -0.53 0.00 0.00 39.78 38.75 1rfl n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rfl n ALA 18 N -0.14 1.24 -3.16 5.20 0.00 -1.26 -4.97 120.51 117.41 1rfl n ALA 18 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 1rfl n ALA 18 Cb 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 19.45 19.16 1rfl n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfl n GLY 19 N -0.16 -0.59 0.09 0.00 0.00 -1.26 -4.51 105.19 98.76 1rfl n GLY 19 Ca -0.14 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1rfl n GLY 19 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rfl n LYS 20 N -3.41 0.77 0.06 1.61 2.85 -1.26 -4.37 118.16 114.40 1rfl n LYS 20 Ca -0.16 -0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 56.96 1rfl n LYS 20 Cb 0.63 -1.51 -0.09 0.00 -0.65 0.00 0.00 35.03 33.41 1rfl n LYS 20 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1rfl h SER 21 N 0.00 -0.15 -0.90 -5.58 0.87 -1.98 -2.79 113.55 103.01 1rfl h SER 21 Ca -0.52 -0.33 0.26 0.00 -1.23 0.00 0.00 61.79 59.97 1rfl h SER 21 Cb 2.17 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 64.14 1rfl h SER 21 CO 0.03 0.28 0.90 0.28 -0.53 0.00 0.00 176.83 177.79 1rfl h SER 22 N -0.62 0.00 -0.11 6.23 0.02 -1.91 1.36 113.55 118.52 1rfl h SER 22 Ca -0.02 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1rfl h SER 22 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1rfl h SER 22 CO 0.03 0.00 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.23 1rfl h LEU 23 N 0.00 0.56 0.00 5.07 3.38 -1.70 -2.36 115.31 120.27 1rfl h LEU 23 Ca 0.43 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rfl h LEU 23 Cb 2.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1rfl h LEU 23 CO -0.00 1.09 0.00 0.18 0.09 0.00 0.00 178.44 179.79 1rfl n LEU 24 N -4.30 0.00 -0.24 1.67 4.32 0.46 0.91 117.00 119.82 1rfl n LEU 24 Ca -0.08 0.85 -0.12 0.00 -0.02 0.00 0.00 56.01 56.64 1rfl n LEU 24 Cb 0.55 -0.35 -0.09 0.00 -1.62 0.00 0.00 43.42 41.92 1rfl n LEU 24 CO 0.45 -0.35 0.50 -0.55 -1.22 0.00 0.00 177.39 176.22 1rfl h ASN 25 N 0.00 -1.90 -0.88 -1.43 -1.07 -1.64 0.47 115.58 109.13 1rfl h ASN 25 Ca 0.00 0.27 0.21 0.00 0.07 0.00 0.00 56.30 56.85 1rfl h ASN 25 Cb 0.00 0.82 -0.16 0.00 -2.07 0.00 0.00 38.32 36.91 1rfl h ASN 25 CO 0.00 -0.34 -0.04 0.00 0.07 0.00 0.00 177.43 177.12 1rfl h ALA 26 N 0.26 0.88 -0.25 4.14 0.00 -1.19 0.32 119.26 123.43 1rfl h ALA 26 Ca 0.12 0.30 -0.49 0.00 0.00 0.00 0.00 54.91 54.84 1rfl h ALA 26 Cb 0.53 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1rfl h ALA 26 CO -0.73 -0.47 1.44 -0.11 0.00 0.00 0.00 179.25 179.39 1rfl n LEU 27 N -5.45 6.99 -3.23 0.00 0.00 0.26 -4.64 117.00 110.93 1rfl n LEU 27 Ca 0.17 -4.02 0.04 0.00 0.00 0.00 0.00 56.01 52.20 1rfl n LEU 27 Cb 0.57 -1.40 -0.03 0.00 0.00 0.00 0.00 43.42 42.56 1rfl n LEU 27 CO -0.02 1.88 0.60 0.00 0.00 0.00 0.00 177.39 179.85 1rfl s ALA 28 N 0.27 -3.14 -0.98 1.96 0.00 0.11 -4.83 121.76 115.15 1rfl s ALA 28 Ca 0.63 1.68 -0.07 0.00 0.00 0.00 0.00 51.96 54.20 1rfl s ALA 28 Cb 0.27 -2.33 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 1rfl s ALA 28 CO -0.08 -1.25 2.47 0.41 0.00 0.00 0.00 175.76 177.30 1rfl n GLY 29 N 5.23 3.35 3.16 0.00 0.00 -1.26 -4.81 105.19 110.87 1rfl n GLY 29 Ca -0.07 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1rfl n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rfl s ARG 30 N 2.74 3.00 -0.45 1.61 0.52 -1.26 -5.06 118.95 120.04 1rfl s ARG 30 Ca 0.50 -0.84 -0.27 0.00 -0.52 0.00 0.00 55.73 54.60 1rfl s ARG 30 Cb 0.15 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 1rfl s ARG 30 CO -0.04 -0.04 2.24 -1.21 0.02 0.00 0.00 175.30 176.27 1rfl s GLU 31 N 0.87 2.47 -0.36 3.54 0.41 -1.26 -3.43 118.70 120.93 1rfl s GLU 31 Ca -0.06 1.39 -0.10 0.00 -0.41 0.00 0.00 54.97 55.79 1rfl s GLU 31 Cb -0.15 -4.48 0.01 0.00 -1.78 0.00 0.00 34.13 27.73 1rfl s GLU 31 CO -0.03 -2.87 0.39 0.00 -0.49 0.00 0.00 175.26 172.26 1rfl n ALA 32 N 14.19 -3.14 -1.78 5.21 0.00 -1.26 -4.95 120.51 128.78 1rfl n ALA 32 Ca 0.32 0.90 -0.35 0.00 0.00 0.00 0.00 53.44 54.31 1rfl n ALA 32 Cb 0.52 -2.74 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 1rfl n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfl s ALA 33 N -2.19 2.76 -0.07 0.00 0.00 -1.22 -4.99 121.76 116.05 1rfl s ALA 33 Ca 0.16 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.65 1rfl s ALA 33 Cb -0.05 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1rfl s ALA 33 CO 0.71 -0.64 0.77 0.96 0.00 0.00 0.00 175.76 177.55 1rfl s ILE 34 N -1.81 4.99 -0.09 0.00 -4.36 -1.26 -5.05 121.20 113.62 1rfl s ILE 34 Ca 0.71 1.58 -0.05 0.00 -0.26 0.00 0.00 60.65 62.63 1rfl s ILE 34 Cb -0.22 -4.10 -0.04 0.00 1.25 0.00 0.00 42.46 39.35 1rfl s ILE 34 CO 0.26 0.20 0.10 0.54 0.24 0.00 0.00 174.94 176.28 1rfl s VAL 35 N 1.06 5.11 0.26 8.37 0.11 -1.26 -5.06 120.40 129.00 1rfl s VAL 35 Ca 0.40 -0.00 0.12 0.00 -2.93 0.00 0.00 61.98 59.56 1rfl s VAL 35 Cb -0.18 -3.23 -0.05 0.00 -1.53 0.00 0.00 36.38 31.39 1rfl s VAL 35 CO 0.19 0.57 -0.19 0.28 -3.33 0.00 0.00 175.10 172.62 1rfl s THR 36 N -1.03 2.56 -0.39 5.04 -1.32 -1.26 -5.11 115.64 114.13 1rfl s THR 36 Ca 0.16 -2.28 0.03 0.00 -1.21 0.00 0.00 61.69 58.39 1rfl s THR 36 Cb -0.12 -2.32 0.16 0.00 -1.51 0.00 0.00 72.50 68.71 1rfl s THR 36 CO 0.06 -0.34 0.38 -1.81 -2.21 0.00 0.00 174.62 170.69 1rfl s ASP 37 N -3.36 1.26 0.12 8.08 1.11 -1.26 -5.13 116.67 117.50 1rfl s ASP 37 Ca 0.28 -2.07 0.09 0.00 0.18 0.00 0.00 52.55 51.04 1rfl s ASP 37 Cb -0.06 0.30 -0.04 0.00 1.07 0.00 0.00 42.92 44.19 1rfl s ASP 37 CO 0.14 -0.22 -0.20 -0.51 1.18 0.00 0.00 175.17 175.57 1rfl s ILE 38 N 0.97 2.73 -0.21 0.77 1.10 -1.26 -5.04 121.20 120.26 1rfl s ILE 38 Ca 0.22 -1.57 -0.05 0.00 -0.51 0.00 0.00 60.65 58.74 1rfl s ILE 38 Cb -0.11 -2.25 -0.19 0.00 0.15 0.00 0.00 42.46 40.06 1rfl s ILE 38 CO -0.06 0.09 -0.01 0.00 -2.11 0.00 0.00 174.94 172.84 1rfl n ALA 39 N 0.79 1.16 -2.06 1.50 0.00 -1.26 -4.81 120.51 115.84 1rfl n ALA 39 Ca -0.16 -0.88 -0.39 0.00 0.00 0.00 0.00 53.44 52.01 1rfl n ALA 39 Cb 0.53 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 1rfl n ALA 39 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rfl s GLY 40 N -5.91 0.32 0.89 0.00 0.00 -1.26 -4.94 107.32 96.42 1rfl s GLY 40 Ca -0.31 -0.53 -0.17 0.00 0.00 0.00 0.00 44.72 43.72 1rfl s GLY 40 CO 0.64 3.36 -0.68 -1.30 0.00 0.00 0.00 173.10 175.12 1rfl n THR 41 N 7.22 0.00 -3.74 0.90 -2.24 -1.26 -4.91 114.28 110.25 1rfl n THR 41 Ca 0.20 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 1rfl n THR 41 Cb 0.51 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.65 1rfl n THR 41 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rfl s THR 42 N -1.93 5.29 0.34 4.28 -4.23 -1.26 -4.97 115.64 113.15 1rfl s THR 42 Ca 0.41 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1rfl s THR 42 Cb -0.22 -3.43 0.27 0.00 1.34 0.00 0.00 72.50 70.46 1rfl s THR 42 CO 0.78 0.41 1.99 0.03 -0.54 0.00 0.00 174.62 177.28 1rfl h ARG 43 N 7.00 0.87 0.00 3.99 3.08 -1.96 0.30 114.38 127.66 1rfl h ARG 43 Ca -0.39 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1rfl h ARG 43 Cb 1.16 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1rfl h ARG 43 CO 0.71 0.58 0.00 -0.40 -1.07 0.00 0.00 179.97 179.79 1rfl n ASP 44 N -4.44 0.25 0.00 7.04 5.68 -1.26 -4.13 116.55 119.69 1rfl n ASP 44 Ca 0.08 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1rfl n ASP 44 Cb 0.08 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1rfl n ASP 44 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1rfl n VAL 45 N -1.75 0.00 -1.11 2.12 0.31 0.11 -4.20 118.33 113.80 1rfl n VAL 45 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.06 1rfl n VAL 45 Cb 0.28 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 1rfl n VAL 45 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1rfl n LEU 46 N 0.00 0.24 -0.04 7.52 7.94 -1.24 -4.62 117.00 126.80 1rfl n LEU 46 Ca 0.00 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 1rfl n LEU 46 Cb 0.00 -0.69 0.01 0.00 0.53 0.00 0.00 43.42 43.27 1rfl n LEU 46 CO 0.00 -0.54 0.35 -1.14 -1.11 0.00 0.00 177.39 174.95 1rfl n ARG 47 N 6.31 1.14 -2.43 1.96 0.63 -1.26 -4.76 116.66 118.24 1rfl n ARG 47 Ca 0.49 -0.99 -0.09 0.00 -0.92 0.00 0.00 57.85 56.34 1rfl n ARG 47 Cb 0.02 -0.73 0.04 0.00 0.45 0.00 0.00 32.46 32.24 1rfl n ARG 47 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1rfl n GLU 48 N -0.25 2.41 0.00 -0.14 -0.00 -1.26 -5.02 120.64 116.38 1rfl n GLU 48 Ca 0.01 -3.72 0.00 0.00 -0.00 0.00 0.00 57.16 53.45 1rfl n GLU 48 Cb 0.43 -1.82 0.00 0.00 -0.00 0.00 0.00 31.44 30.05 1rfl n GLU 48 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1rfl n HIS 49 N -0.62 -0.00 -3.82 -1.84 1.44 -1.26 -4.83 115.22 104.28 1rfl n HIS 49 Ca 0.22 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1rfl n HIS 49 Cb 0.87 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.89 1rfl n HIS 49 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rfl s ILE 50 N 0.00 0.06 -0.22 0.61 -1.09 -1.26 -4.98 121.20 114.32 1rfl s ILE 50 Ca 0.00 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.90 1rfl s ILE 50 Cb 0.00 -0.46 -0.03 0.00 -1.58 0.00 0.00 42.46 40.39 1rfl s ILE 50 CO 0.00 -0.25 0.03 -2.28 -1.23 0.00 0.00 174.94 171.21 1rfl s HIS 51 N -1.00 3.08 -0.10 3.97 5.65 -1.26 -5.07 115.29 120.56 1rfl s HIS 51 Ca -0.11 -0.38 -0.04 0.00 0.25 0.00 0.00 55.06 54.78 1rfl s HIS 51 Cb -0.05 -2.14 0.05 0.00 -1.18 0.00 0.00 32.58 29.26 1rfl s HIS 51 CO 0.02 -0.23 0.20 0.42 -0.65 0.00 0.00 174.74 174.50 1rfl s ILE 52 N 1.14 -0.25 -0.69 0.89 1.01 -1.26 -5.01 121.20 117.02 1rfl s ILE 52 Ca 0.03 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 1rfl s ILE 52 Cb -0.14 -0.34 0.18 0.00 0.01 0.00 0.00 42.46 42.16 1rfl s ILE 52 CO 0.02 0.12 0.58 -1.81 0.00 0.00 0.00 174.94 173.85 1rfl s ASP 53 N 2.05 6.06 0.00 3.58 -0.00 -1.26 -4.52 116.67 122.57 1rfl s ASP 53 Ca -0.01 -2.60 0.00 0.00 -0.00 0.00 0.00 52.55 49.94 1rfl s ASP 53 Cb -0.12 -2.06 0.00 0.00 -0.00 0.00 0.00 42.92 40.74 1rfl s ASP 53 CO -0.07 -0.53 0.00 0.61 -0.00 0.00 0.00 175.17 175.18 1rfl n GLY 54 N 3.99 -0.60 3.24 0.21 0.00 -1.26 -5.14 105.19 105.63 1rfl n GLY 54 Ca 0.07 0.35 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1rfl n GLY 54 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rfl s MET 55 N 0.00 1.15 -0.04 1.61 -1.94 -1.26 -5.08 119.30 113.75 1rfl s MET 55 Ca 0.00 -1.01 -0.05 0.00 -1.71 0.00 0.00 55.69 52.92 1rfl s MET 55 Cb 0.00 -1.31 -0.03 0.00 2.01 0.00 0.00 34.83 35.50 1rfl s MET 55 CO 0.00 0.32 0.33 -1.00 -0.01 0.00 0.00 175.02 174.66 1rfl h PRO 56 N 4.50 -0.19 -5.47 2.03 0.13 -2.01 -3.44 132.00 127.55 1rfl h PRO 56 Ca -0.43 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.10 1rfl h PRO 56 Cb 1.17 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1rfl h PRO 56 CO 0.42 -0.13 1.57 -0.11 -0.23 0.00 0.00 178.00 179.52 1rfl n LEU 57 N -3.75 0.64 -4.72 1.56 0.00 -1.26 -4.87 117.00 104.61 1rfl n LEU 57 Ca -0.02 0.36 -0.35 0.00 0.00 0.00 0.00 56.01 56.00 1rfl n LEU 57 Cb 0.08 -0.96 -0.09 0.00 0.00 0.00 0.00 43.42 42.46 1rfl n LEU 57 CO 0.06 -0.77 -0.28 -1.38 0.00 0.00 0.00 177.39 175.02 1rfl s HIS 58 N 7.86 3.24 -0.42 1.96 -3.43 -1.26 -5.04 115.29 118.21 1rfl s HIS 58 Ca 1.27 0.25 0.08 0.00 -0.80 0.00 0.00 55.06 55.86 1rfl s HIS 58 Cb -1.29 -1.81 0.27 0.00 -1.43 0.00 0.00 32.58 28.32 1rfl s HIS 58 CO 0.55 0.52 0.70 -0.89 -2.00 0.00 0.00 174.74 173.62 1rfl n ILE 59 N 2.06 -0.37 -4.18 -5.38 5.41 -1.26 -5.11 119.36 110.52 1rfl n ILE 59 Ca -0.19 -3.27 -0.16 0.00 1.00 0.00 0.00 62.75 60.13 1rfl n ILE 59 Cb 0.54 -0.50 -0.14 0.00 -0.71 0.00 0.00 39.64 38.82 1rfl n ILE 59 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1rfl s ILE 60 N -0.80 0.45 -0.05 1.39 1.01 -1.26 -5.03 121.20 116.90 1rfl s ILE 60 Ca 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1rfl s ILE 60 Cb 0.23 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 42.34 1rfl s ILE 60 CO -0.13 0.13 0.03 -1.81 0.00 0.00 0.00 174.94 173.16 1rfl s ASP 61 N -0.11 1.29 -1.16 3.58 1.01 -1.26 -4.89 116.67 115.14 1rfl s ASP 61 Ca 0.02 0.01 -0.21 0.00 0.71 0.00 0.00 52.55 53.08 1rfl s ASP 61 Cb -0.03 -0.27 0.05 0.00 1.01 0.00 0.00 42.92 43.68 1rfl s ASP 61 CO -0.00 -0.22 1.64 0.28 0.21 0.00 0.00 175.17 177.08 1rfl s THR 62 N 2.03 3.97 0.00 -1.27 -1.32 -1.26 -4.90 115.64 112.89 1rfl s THR 62 Ca 0.04 -1.30 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 1rfl s THR 62 Cb -0.12 -5.04 0.00 0.00 -1.51 0.00 0.00 72.50 65.83 1rfl s THR 62 CO -0.04 -1.87 0.00 0.00 -2.21 0.00 0.00 174.62 170.50 1rfl n ALA 63 N 9.25 0.00 0.03 11.08 0.00 -1.26 -3.70 120.51 135.92 1rfl n ALA 63 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1rfl n ALA 63 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1rfl n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfl n GLY 64 N 2.19 -1.62 3.91 0.00 0.00 -1.26 -4.95 105.19 103.45 1rfl n GLY 64 Ca 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 1rfl n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rfl s LEU 65 N -5.62 4.34 0.32 0.99 2.96 -1.26 -4.90 118.68 115.50 1rfl s LEU 65 Ca 0.00 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1rfl s LEU 65 Cb 0.00 -2.98 0.84 0.00 0.50 0.00 0.00 46.19 44.55 1rfl s LEU 65 CO 0.00 0.16 1.58 -0.09 -1.32 0.00 0.00 176.35 176.68 1rfl h ARG 66 N 3.19 0.02 -0.54 1.98 9.65 -2.00 1.34 114.38 128.01 1rfl h ARG 66 Ca -0.46 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.44 1rfl h ARG 66 Cb 1.17 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.71 1rfl h ARG 66 CO 0.73 0.01 0.32 1.49 2.80 0.00 0.00 179.97 185.33 1rfl h GLU 67 N 0.02 0.62 0.44 0.20 4.81 -1.95 -0.69 114.58 118.02 1rfl h GLU 67 Ca 0.63 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.80 1rfl h GLU 67 Cb 1.38 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1rfl h GLU 67 CO -0.88 0.41 -0.21 0.00 -0.73 0.00 0.00 179.01 177.60 1rfl h ALA 68 N 1.24 -0.59 -0.90 2.92 0.00 0.15 -1.97 119.26 120.11 1rfl h ALA 68 Ca 0.22 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 55.21 1rfl h ALA 68 Cb 0.03 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 1rfl h ALA 68 CO -0.10 -0.79 0.39 0.77 0.00 0.00 0.00 179.25 179.51 1rfl h SER 69 N -0.66 0.31 0.42 0.00 0.02 -0.47 0.82 113.55 113.98 1rfl h SER 69 Ca -0.06 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1rfl h SER 69 Cb 0.49 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1rfl h SER 69 CO 0.10 -0.03 -0.28 0.44 -1.14 0.00 0.00 176.83 175.92 1rfl h ASP 70 N 0.37 -0.73 -0.69 3.07 5.19 -0.72 -1.50 116.42 121.41 1rfl h ASP 70 Ca 0.57 0.04 0.12 0.00 -0.62 0.00 0.00 57.03 57.14 1rfl h ASP 70 Cb 1.10 0.22 -0.08 0.00 0.18 0.00 0.00 39.33 40.75 1rfl h ASP 70 CO -0.55 -0.42 0.28 -0.33 -3.12 0.00 0.00 179.24 175.10 1rfl h GLU 71 N -0.66 0.43 0.00 3.56 3.07 -0.49 0.40 114.58 120.89 1rfl h GLU 71 Ca -0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1rfl h GLU 71 Cb 0.54 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1rfl h GLU 71 CO 0.04 0.29 0.00 0.28 -1.40 0.00 0.00 179.01 178.22 1rfl n VAL 72 N -4.99 0.00 -0.35 3.13 0.31 0.27 0.14 118.33 116.85 1rfl n VAL 72 Ca 0.12 1.12 0.13 0.00 -0.01 0.00 0.00 64.34 65.70 1rfl n VAL 72 Cb 0.34 -1.78 0.33 0.00 -0.91 0.00 0.00 33.84 31.82 1rfl n VAL 72 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1rfl h GLU 73 N 0.00 0.72 -0.04 5.55 4.11 -1.14 0.75 114.58 124.53 1rfl h GLU 73 Ca 0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.42 1rfl h GLU 73 Cb 0.00 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1rfl h GLU 73 CO 0.00 0.47 -0.30 -0.09 0.07 0.00 0.00 179.01 179.17 1rfl h ARG 74 N 0.74 -0.41 0.00 1.06 2.43 0.72 0.24 114.38 119.16 1rfl h ARG 74 Ca 0.59 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.78 1rfl h ARG 74 Cb 0.94 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1rfl h ARG 74 CO -0.40 -0.27 -0.01 -0.84 -1.51 0.00 0.00 179.97 176.94 1rfl h ILE 75 N -0.43 0.04 0.00 1.20 3.07 0.28 -0.62 117.51 121.05 1rfl h ILE 75 Ca 0.07 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1rfl h ILE 75 Cb 0.53 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 1rfl h ILE 75 CO -0.28 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 177.44 1rfl n GLY 76 N -0.35 -1.12 2.39 0.16 0.00 0.74 -4.92 105.19 102.08 1rfl n GLY 76 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1rfl n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rfl n ILE 77 N -1.19 -6.25 -3.62 -0.61 5.41 -0.24 -5.04 119.36 107.84 1rfl n ILE 77 Ca 0.17 -0.14 -0.09 0.00 1.00 0.00 0.00 62.75 63.69 1rfl n ILE 77 Cb 0.18 -5.46 -0.06 0.00 -0.71 0.00 0.00 39.64 33.59 1rfl n ILE 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1rfl s GLU 78 N -3.00 0.46 1.00 0.38 -1.05 -1.12 -5.03 118.70 110.33 1rfl s GLU 78 Ca 0.00 0.34 -0.17 0.00 -0.15 0.00 0.00 54.97 55.00 1rfl s GLU 78 Cb -0.00 0.22 -0.13 0.00 -0.44 0.00 0.00 34.13 33.78 1rfl s GLU 78 CO 0.43 -0.10 -0.70 2.89 0.95 0.00 0.00 175.26 178.73 1rfl n ARG 79 N 1.50 -0.03 0.17 -4.83 1.85 -1.26 -4.05 116.66 110.02 1rfl n ARG 79 Ca -0.11 -0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.86 1rfl n ARG 79 Cb 0.57 -1.08 0.20 0.00 -1.05 0.00 0.00 32.46 31.10 1rfl n ARG 79 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rfl h ALA 80 N -1.05 0.92 -0.84 2.89 0.00 -1.94 -3.22 119.26 116.02 1rfl h ALA 80 Ca -0.44 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1rfl h ALA 80 Cb 1.30 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1rfl h ALA 80 CO 0.24 0.00 0.51 -1.49 0.00 0.00 0.00 179.25 178.51 1rfl h TRP 81 N 0.00 0.94 -2.55 0.00 4.06 -2.00 -3.43 115.95 112.98 1rfl h TRP 81 Ca 0.00 0.03 -0.57 0.00 2.06 0.00 0.00 58.89 60.41 1rfl h TRP 81 Cb 0.93 -0.30 0.20 0.00 -1.00 0.00 0.00 29.16 28.99 1rfl h TRP 81 CO 0.00 0.47 -1.01 0.94 -3.56 0.00 0.00 178.44 175.28 1rfl n GLN 82 N -4.65 0.10 -3.98 0.49 -0.06 -1.22 -4.99 117.38 103.07 1rfl n GLN 82 Ca 0.12 0.05 -0.24 0.00 -2.00 0.00 0.00 57.00 54.94 1rfl n GLN 82 Cb 0.18 -1.37 -0.06 0.00 -4.06 0.00 0.00 30.24 24.93 1rfl n GLN 82 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 1rfl s GLU 83 N -2.09 2.31 -0.08 3.69 1.03 -1.26 -5.01 118.70 117.29 1rfl s GLU 83 Ca 0.56 -1.75 0.00 0.00 0.03 0.00 0.00 54.97 53.81 1rfl s GLU 83 Cb -0.34 -2.10 0.02 0.00 -0.80 0.00 0.00 34.13 30.91 1rfl s GLU 83 CO 0.67 -0.12 -0.06 0.42 -1.33 0.00 0.00 175.26 174.85 1rfl s ILE 84 N -2.55 0.77 0.99 1.83 1.09 -1.26 -5.03 121.20 117.03 1rfl s ILE 84 Ca 0.43 -0.17 -0.16 0.00 -1.10 0.00 0.00 60.65 59.64 1rfl s ILE 84 Cb 0.02 -0.81 -0.06 0.00 -1.06 0.00 0.00 42.46 40.55 1rfl s ILE 84 CO 0.24 0.31 -0.34 1.21 -0.10 0.00 0.00 174.94 176.26 1rfl n GLU 85 N 4.65 -0.24 -3.73 2.79 4.07 -1.24 -4.96 120.64 121.98 1rfl n GLU 85 Ca -0.15 -0.05 -0.30 0.00 -0.06 0.00 0.00 57.16 56.60 1rfl n GLU 85 Cb 0.50 -1.39 -0.04 0.00 -0.06 0.00 0.00 31.44 30.46 1rfl n GLU 85 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1rfl s GLN 86 N -2.75 3.55 0.33 5.31 2.00 -1.26 -4.89 119.66 121.95 1rfl s GLN 86 Ca 0.47 -0.25 -0.24 0.00 -2.00 0.00 0.00 55.36 53.35 1rfl s GLN 86 Cb -0.16 -2.89 -0.16 0.00 0.80 0.00 0.00 33.01 30.61 1rfl s GLN 86 CO 0.74 0.48 0.34 0.00 -0.50 0.00 0.00 175.29 176.35 1rfl n ALA 87 N -0.11 -2.63 -0.07 1.58 0.00 -1.26 -4.68 120.51 113.35 1rfl n ALA 87 Ca -0.04 0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1rfl n ALA 87 Cb 0.52 -1.59 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 1rfl n ALA 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rfl n ASP 88 N 2.02 2.02 -3.53 0.00 -0.08 -0.96 -4.97 116.55 111.05 1rfl n ASP 88 Ca 0.14 0.19 -0.08 0.00 -1.51 0.00 0.00 54.79 53.52 1rfl n ASP 88 Cb 0.34 -0.78 -0.03 0.00 2.34 0.00 0.00 41.12 43.00 1rfl n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rfl s ARG 89 N -2.50 0.70 0.25 -0.67 1.70 -1.26 -4.37 118.95 112.79 1rfl s ARG 89 Ca -0.29 -0.20 0.10 0.00 -0.47 0.00 0.00 55.73 54.88 1rfl s ARG 89 Cb 0.08 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1rfl s ARG 89 CO 0.66 -0.29 -0.10 0.08 -1.08 0.00 0.00 175.30 174.56 1rfl s VAL 90 N -2.67 3.01 -0.37 4.99 1.01 -1.09 -4.05 120.40 121.23 1rfl s VAL 90 Ca 0.05 -2.02 0.12 0.00 0.00 0.00 0.00 61.98 60.13 1rfl s VAL 90 Cb -0.01 -2.56 0.40 0.00 0.00 0.00 0.00 36.38 34.21 1rfl s VAL 90 CO -0.07 -0.30 1.09 0.00 0.00 0.00 0.00 175.10 175.82 1rfl n LEU 91 N -0.51 -0.35 -4.59 3.92 -0.00 -1.25 -1.02 117.00 113.20 1rfl n LEU 91 Ca -0.07 -3.80 -0.42 0.00 -0.00 0.00 0.00 56.01 51.72 1rfl n LEU 91 Cb 0.58 0.39 -0.03 0.00 -0.00 0.00 0.00 43.42 44.36 1rfl n LEU 91 CO 0.38 1.85 1.83 0.72 -0.00 0.00 0.00 177.39 182.16 1rfl s PHE 92 N -1.39 1.25 0.79 1.47 -0.71 -1.26 -4.66 117.98 113.48 1rfl s PHE 92 Ca 0.26 0.70 -0.12 0.00 -1.04 0.00 0.00 56.93 56.73 1rfl s PHE 92 Cb 0.40 -3.91 0.07 0.00 -1.21 0.00 0.00 43.02 38.37 1rfl s PHE 92 CO -0.03 -3.69 1.12 0.00 -1.34 0.00 0.00 175.22 171.28 1rfl s MET 93 N 6.53 2.12 0.26 1.99 0.23 -1.26 -4.22 119.30 124.95 1rfl s MET 93 Ca 0.97 0.40 0.03 0.00 -1.03 0.00 0.00 55.69 56.06 1rfl s MET 93 Cb -0.29 -1.94 -0.01 0.00 -1.53 0.00 0.00 34.83 31.05 1rfl s MET 93 CO 0.33 -1.54 0.12 1.33 -2.03 0.00 0.00 175.02 173.23 1rfl n VAL 94 N -3.34 0.00 -3.92 5.16 0.24 -1.26 -4.60 118.33 110.61 1rfl n VAL 94 Ca 0.07 -1.59 -0.29 0.00 -2.04 0.00 0.00 64.34 60.49 1rfl n VAL 94 Cb 0.58 0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 33.46 1rfl n VAL 94 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rfl s ASP 95 N -2.63 4.62 0.17 -1.34 -1.08 -1.26 -4.87 116.67 110.28 1rfl s ASP 95 Ca 0.17 -3.50 0.00 0.00 -0.52 0.00 0.00 52.55 48.70 1rfl s ASP 95 Cb 0.01 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.83 1rfl s ASP 95 CO 0.12 -0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.28 1rfl n GLY 96 N 2.45 0.86 2.47 2.66 0.00 -1.26 -1.90 105.19 110.47 1rfl n GLY 96 Ca 0.13 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1rfl n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rfl n THR 97 N 0.00 3.24 -3.76 2.61 -2.24 -1.26 -4.79 114.28 108.07 1rfl n THR 97 Ca 0.00 -1.92 -0.37 0.00 -2.27 0.00 0.00 64.05 59.49 1rfl n THR 97 Cb 0.00 -2.33 -0.12 0.00 -2.10 0.00 0.00 70.33 65.78 1rfl n THR 97 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rfl s THR 98 N 2.84 3.50 -0.05 4.28 2.01 -0.80 -5.08 115.64 122.34 1rfl s THR 98 Ca 0.53 -1.65 -0.09 0.00 0.31 0.00 0.00 61.69 60.78 1rfl s THR 98 Cb 0.14 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 1rfl s THR 98 CO -0.04 -0.46 0.26 0.28 -0.69 0.00 0.00 174.62 173.96 1rfl s THR 99 N 1.26 5.30 0.29 -0.82 -1.32 -1.26 -4.76 115.64 114.32 1rfl s THR 99 Ca 0.03 0.40 -0.20 0.00 -1.21 0.00 0.00 61.69 60.71 1rfl s THR 99 Cb -0.22 -3.54 0.04 0.00 -1.51 0.00 0.00 72.50 67.27 1rfl s THR 99 CO -0.01 0.54 0.78 -1.81 -2.21 0.00 0.00 174.62 171.91 1rfl s ASP 100 N -1.22 -0.17 0.15 8.08 1.01 -1.26 -5.02 116.67 118.24 1rfl s ASP 100 Ca 0.21 -0.72 0.26 0.00 0.71 0.00 0.00 52.55 53.02 1rfl s ASP 100 Cb -0.14 0.72 0.76 0.00 1.01 0.00 0.00 42.92 45.27 1rfl s ASP 100 CO 0.10 -1.36 1.69 0.00 0.21 0.00 0.00 175.17 175.81 1rfl n ALA 101 N -0.49 2.48 1.35 5.23 0.00 -1.26 -2.75 120.51 125.07 1rfl n ALA 101 Ca -0.05 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1rfl n ALA 101 Cb 0.59 -1.39 0.40 0.00 0.00 0.00 0.00 19.45 19.05 1rfl n ALA 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rfl n VAL 102 N -2.09 0.00 0.00 0.00 0.24 -1.26 -3.38 118.33 111.84 1rfl n VAL 102 Ca 0.05 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 1rfl n VAL 102 Cb 0.42 0.72 -0.09 0.00 -1.47 0.00 0.00 33.84 33.42 1rfl n VAL 102 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1rfl h ASP 103 N 2.73 -0.09 0.43 -1.34 3.45 -1.90 -3.33 116.42 116.37 1rfl h ASP 103 Ca 0.00 -0.51 -0.19 0.00 0.43 0.00 0.00 57.03 56.75 1rfl h ASP 103 Cb 0.61 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 1rfl h ASP 103 CO 0.00 0.56 -0.83 1.55 -1.57 0.00 0.00 179.24 178.95 1rfl h PRO 104 N -0.84 0.29 -1.75 3.56 0.13 -1.73 -3.18 132.00 128.49 1rfl h PRO 104 Ca -0.01 -0.28 0.54 0.00 -0.87 0.00 0.00 66.00 65.37 1rfl h PRO 104 Cb 0.60 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 31.70 1rfl h PRO 104 CO 0.02 0.97 1.21 0.00 -0.23 0.00 0.00 178.00 179.97 1rfl n ALA 105 N -2.49 1.70 -2.55 -0.56 0.00 -1.22 0.16 120.51 115.55 1rfl n ALA 105 Ca -0.04 0.75 -0.29 0.00 0.00 0.00 0.00 53.44 53.86 1rfl n ALA 105 Cb 0.77 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 1rfl n ALA 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rfl n GLU 106 N -4.26 3.41 0.00 0.00 -0.58 -1.20 -4.60 120.64 113.41 1rfl n GLU 106 Ca 0.43 -4.51 0.00 0.00 -0.42 0.00 0.00 57.16 52.66 1rfl n GLU 106 Cb 1.85 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 1rfl n GLU 106 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1rfl n ILE 107 N -0.41 0.00 -0.29 -3.67 0.00 0.43 -4.67 119.36 110.76 1rfl n ILE 107 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 62.75 63.06 1rfl n ILE 107 Cb 0.53 -0.12 -0.04 0.00 0.00 0.00 0.00 39.64 40.01 1rfl n ILE 107 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1rfl h TRP 108 N 0.00 -1.39 0.00 9.51 -0.00 -1.60 0.07 115.95 122.53 1rfl h TRP 108 Ca 0.00 0.10 -0.40 0.00 -0.00 0.00 0.00 58.89 58.59 1rfl h TRP 108 Cb 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 29.16 29.87 1rfl h TRP 108 CO 0.00 -0.41 2.19 -0.35 -0.00 0.00 0.00 178.44 179.87 1rfl n PRO 109 N -5.39 2.41 0.00 2.65 -0.04 -1.26 -2.89 135.00 130.49 1rfl n PRO 109 Ca 0.03 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1rfl n PRO 109 Cb 0.34 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1rfl n PRO 109 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1rfl n GLU 110 N 3.55 0.00 -0.34 0.54 4.07 -0.02 -4.93 120.64 123.52 1rfl n GLU 110 Ca 0.51 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.80 1rfl n GLU 110 Cb 0.32 0.00 0.42 0.00 -0.06 0.00 0.00 31.44 32.12 1rfl n GLU 110 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1rfl h PHE 111 N 0.00 0.93 -3.02 4.31 3.04 -1.35 -3.27 116.94 117.58 1rfl h PHE 111 Ca 0.00 0.03 -0.73 0.00 3.98 0.00 0.00 57.97 61.25 1rfl h PHE 111 Cb 0.00 -0.27 -0.22 0.00 2.56 0.00 0.00 35.95 38.03 1rfl h PHE 111 CO 0.00 0.07 -0.01 -1.50 -2.02 0.00 0.00 178.31 174.85 1rfl s ILE 112 N -5.70 5.02 0.00 1.41 -1.16 -1.26 -4.94 121.20 114.57 1rfl s ILE 112 Ca -0.10 -1.30 0.00 0.00 -0.51 0.00 0.00 60.65 58.74 1rfl s ILE 112 Cb 0.27 -4.43 0.00 0.00 0.61 0.00 0.00 42.46 38.90 1rfl s ILE 112 CO 0.80 -1.03 0.00 0.00 -2.81 0.00 0.00 174.94 171.90 1rfl n ALA 113 N 5.76 0.00 -1.30 1.50 0.00 -1.23 -5.00 120.51 120.24 1rfl n ALA 113 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1rfl n ALA 113 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1rfl n ALA 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rfl n ARG 114 N -0.84 2.37 -3.97 0.00 3.00 -1.26 -4.81 116.66 111.14 1rfl n ARG 114 Ca 0.00 -1.83 -0.29 0.00 -0.01 0.00 0.00 57.85 55.72 1rfl n ARG 114 Cb 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 32.46 30.17 1rfl n ARG 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1rfl s LEU 115 N -1.19 1.65 -0.31 0.55 2.01 -1.26 -4.98 118.68 115.15 1rfl s LEU 115 Ca 0.63 -0.53 -0.29 0.00 0.01 0.00 0.00 54.13 53.95 1rfl s LEU 115 Cb 0.34 -1.07 -0.00 0.00 0.01 0.00 0.00 46.19 45.47 1rfl s LEU 115 CO -0.12 -0.10 1.35 -2.16 1.01 0.00 0.00 176.35 176.33 1rfl s PRO 116 N 1.55 3.84 0.38 1.29 0.04 -1.26 -4.78 135.00 136.06 1rfl s PRO 116 Ca 0.03 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 1rfl s PRO 116 Cb -0.14 -3.92 -0.07 0.00 0.04 0.00 0.00 34.50 30.41 1rfl s PRO 116 CO -0.09 -1.21 0.76 0.00 0.04 0.00 0.00 177.00 176.49 1rfl s ALA 117 N 4.64 3.34 0.00 8.56 0.00 -1.26 -2.66 121.76 134.39 1rfl s ALA 117 Ca 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1rfl s ALA 117 Cb -0.17 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1rfl s ALA 117 CO 0.25 0.10 0.00 1.63 0.00 0.00 0.00 175.76 177.75 1rfl n LYS 118 N -0.99 0.00 -2.25 0.00 4.76 -0.19 0.17 118.16 119.67 1rfl n LYS 118 Ca 0.03 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.49 1rfl n LYS 118 Cb 0.54 -0.30 -0.02 0.00 -1.84 0.00 0.00 35.03 33.41 1rfl n LYS 118 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1rfl n LEU 119 N -1.45 -5.31 -4.80 -0.35 -0.00 -1.26 -3.75 117.00 100.08 1rfl n LEU 119 Ca 0.00 1.22 -0.30 0.00 -0.00 0.00 0.00 56.01 56.94 1rfl n LEU 119 Cb 0.00 -2.51 0.10 0.00 -0.00 0.00 0.00 43.42 41.01 1rfl n LEU 119 CO 0.00 -2.37 0.71 -2.16 -0.00 0.00 0.00 177.39 173.57 1rfl s PRO 120 N -0.92 1.86 0.10 1.96 0.04 -1.26 -4.57 135.00 132.21 1rfl s PRO 120 Ca -0.10 0.56 0.10 0.00 0.04 0.00 0.00 61.00 61.61 1rfl s PRO 120 Cb 0.01 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1rfl s PRO 120 CO 0.52 -1.76 -0.26 0.96 0.04 0.00 0.00 177.00 176.50 1rfl s ILE 121 N -3.18 2.13 0.27 0.56 -5.25 0.38 -4.81 121.20 111.30 1rfl s ILE 121 Ca 0.61 -1.62 0.06 0.00 -0.99 0.00 0.00 60.65 58.71 1rfl s ILE 121 Cb -0.14 -1.87 -0.03 0.00 2.95 0.00 0.00 42.46 43.37 1rfl s ILE 121 CO 0.54 0.14 0.35 0.28 -1.79 0.00 0.00 174.94 174.45 1rfl s THR 122 N -1.00 4.69 -0.41 8.37 -1.32 -1.26 -3.30 115.64 121.40 1rfl s THR 122 Ca 0.12 -1.10 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1rfl s THR 122 Cb -0.10 -3.61 0.24 0.00 -1.51 0.00 0.00 72.50 67.52 1rfl s THR 122 CO 0.05 -0.28 1.03 0.55 -2.21 0.00 0.00 174.62 173.75 1rfl n VAL 123 N -1.42 0.00 -3.62 5.08 3.14 -1.26 -4.86 118.33 115.40 1rfl n VAL 123 Ca -0.06 -0.92 -0.01 0.00 -2.96 0.00 0.00 64.34 60.39 1rfl n VAL 123 Cb 0.58 1.14 -0.01 0.00 -1.06 0.00 0.00 33.84 34.48 1rfl n VAL 123 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1rfl s VAL 124 N 0.55 0.00 0.00 1.55 0.11 -1.26 -4.85 120.40 116.50 1rfl s VAL 124 Ca 0.28 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1rfl s VAL 124 Cb 0.17 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.38 1rfl s VAL 124 CO -0.14 0.00 0.00 -1.14 -3.33 0.00 0.00 175.10 170.49 1rfl n ARG 125 N -0.35 0.00 0.00 1.54 0.00 -1.26 -3.82 116.66 112.77 1rfl n ARG 125 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1rfl n ARG 125 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1rfl n ARG 125 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rfl n ASN 126 N 3.00 0.97 0.00 6.15 3.02 -1.26 -5.01 115.26 122.14 1rfl n ASN 126 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1rfl n ASN 126 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1rfl n ASN 126 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rfl n LYS 127 N -2.80 0.00 0.05 3.52 5.02 -1.25 -4.12 118.16 118.58 1rfl n LYS 127 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1rfl n LYS 127 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.38 1rfl n LYS 127 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rfl h ALA 128 N 0.00 -0.76 -0.61 7.82 0.00 -1.95 0.18 119.26 123.94 1rfl h ALA 128 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1rfl h ALA 128 Cb 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1rfl h ALA 128 CO 0.00 -1.01 0.23 -0.44 0.00 0.00 0.00 179.25 178.04 1rfl h ASP 129 N -0.60 0.86 -0.52 0.00 5.19 -2.00 -2.91 116.42 116.44 1rfl h ASP 129 Ca 0.04 -0.18 0.08 0.00 -0.62 0.00 0.00 57.03 56.36 1rfl h ASP 129 Cb 0.68 -0.22 -0.10 0.00 0.18 0.00 0.00 39.33 39.86 1rfl h ASP 129 CO -0.34 0.80 -0.41 0.40 -3.12 0.00 0.00 179.24 176.57 1rfl h ILE 130 N 0.86 0.11 -0.93 0.35 1.08 -1.55 0.25 117.51 117.68 1rfl h ILE 130 Ca 0.20 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.91 1rfl h ILE 130 Cb 0.22 0.11 -0.17 0.00 -3.07 0.00 0.00 36.82 33.91 1rfl h ILE 130 CO -0.01 0.00 -0.01 0.74 -0.69 0.00 0.00 178.15 178.18 1rfl h THR 131 N -0.25 0.11 0.22 -0.27 2.02 -0.48 1.13 112.91 115.39 1rfl h THR 131 Ca 0.17 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1rfl h THR 131 Cb 0.57 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1rfl h THR 131 CO -0.64 0.01 -0.46 1.23 0.37 0.00 0.00 175.52 176.02 1rfl h GLY 132 N 0.04 -1.01 0.92 2.16 0.00 -0.54 -1.32 103.07 103.31 1rfl h GLY 132 Ca 0.53 0.55 -0.01 0.00 0.00 0.00 0.00 47.33 48.40 1rfl h GLY 132 CO -0.86 -0.29 0.12 -2.09 0.00 0.00 0.00 176.54 173.41 1rfl h GLU 133 N -0.76 0.40 -0.77 4.80 4.57 -0.34 -3.13 114.58 119.34 1rfl h GLU 133 Ca -0.01 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1rfl h GLU 133 Cb 0.74 -0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.17 1rfl h GLU 133 CO -0.20 0.42 -0.53 1.15 -1.18 0.00 0.00 179.01 178.67 1rfl h THR 134 N 0.30 0.00 -1.82 0.32 2.02 0.15 -3.28 112.91 110.59 1rfl h THR 134 Ca 0.09 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.60 1rfl h THR 134 Cb 0.16 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1rfl h THR 134 CO -0.01 0.00 0.98 0.18 0.37 0.00 0.00 175.52 177.04 1rfl n LEU 135 N -5.07 2.92 -3.51 2.58 4.77 -0.53 -1.86 117.00 116.31 1rfl n LEU 135 Ca 0.01 1.03 -0.22 0.00 -0.03 0.00 0.00 56.01 56.79 1rfl n LEU 135 Cb 0.25 -1.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1rfl n LEU 135 CO -0.11 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1rfl n GLY 136 N 4.21 -1.11 0.33 -0.72 0.00 -1.26 -4.80 105.19 101.83 1rfl n GLY 136 Ca 0.24 0.50 0.24 0.00 0.00 0.00 0.00 46.02 47.00 1rfl n GLY 136 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1rfl h MET 137 N -1.13 0.00 0.00 1.61 2.86 -1.42 -3.44 114.93 113.41 1rfl h MET 137 Ca -0.53 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1rfl h MET 137 Cb 1.29 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1rfl h MET 137 CO 0.43 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.83 1rfl n SER 138 N -5.37 0.00 -0.74 1.22 7.64 -1.26 -5.01 113.62 110.10 1rfl n SER 138 Ca 0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1rfl n SER 138 Cb 1.04 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 1rfl n SER 138 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1rfl n GLU 139 N -0.94 0.00 -0.77 1.43 0.28 -1.26 -5.16 120.64 114.22 1rfl n GLU 139 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1rfl n GLU 139 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1rfl n GLU 139 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1rfl n VAL 140 N 0.00 -1.10 -3.21 3.84 3.14 -1.26 -4.66 118.33 115.08 1rfl n VAL 140 Ca 0.00 0.64 -0.45 0.00 -2.96 0.00 0.00 64.34 61.57 1rfl n VAL 140 Cb 0.00 -1.04 -0.00 0.00 -1.06 0.00 0.00 33.84 31.74 1rfl n VAL 140 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1rfl s ASN 141 N -4.76 7.20 0.27 6.55 0.01 -1.26 -5.02 114.94 117.93 1rfl s ASN 141 Ca 0.00 -3.33 -0.29 0.00 -0.71 0.00 0.00 52.86 48.52 1rfl s ASN 141 Cb 0.00 -2.27 -0.14 0.00 0.41 0.00 0.00 41.25 39.25 1rfl s ASN 141 CO 0.00 -0.46 1.17 0.61 -1.51 0.00 0.00 177.10 176.91 1rfl n GLY 142 N 3.25 0.16 0.41 0.66 0.00 -1.26 -4.58 105.19 103.82 1rfl n GLY 142 Ca 0.27 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.51 1rfl n GLY 142 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1rfl h HIS 143 N 2.78 -0.97 -3.68 1.61 2.76 0.17 -3.45 115.15 114.36 1rfl h HIS 143 Ca -0.42 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.59 1rfl h HIS 143 Cb 1.32 0.34 -0.20 0.00 1.55 0.00 0.00 27.41 30.42 1rfl h HIS 143 CO 0.51 -0.57 -0.54 0.00 -1.30 0.00 0.00 177.93 176.03 1rfl s ALA 144 N -6.02 -0.16 -0.66 5.26 0.00 -1.26 -5.06 121.76 113.85 1rfl s ALA 144 Ca -0.18 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1rfl s ALA 144 Cb 0.04 0.15 0.17 0.00 0.00 0.00 0.00 23.12 23.48 1rfl s ALA 144 CO 0.62 -0.23 0.50 -0.51 0.00 0.00 0.00 175.76 176.14 1rfl s LEU 145 N -1.59 5.44 0.32 0.00 1.43 -1.26 -4.49 118.68 118.53 1rfl s LEU 145 Ca -0.13 -2.88 0.10 0.00 -1.03 0.00 0.00 54.13 50.19 1rfl s LEU 145 Cb -0.07 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1rfl s LEU 145 CO -0.00 -0.38 -0.11 -0.63 0.23 0.00 0.00 176.35 175.45 1rfl s ILE 146 N -0.10 2.20 0.34 -0.59 -1.09 -1.26 -4.72 121.20 115.98 1rfl s ILE 146 Ca 0.18 -2.24 0.08 0.00 -2.23 0.00 0.00 60.65 56.44 1rfl s ILE 146 Cb -0.19 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1rfl s ILE 146 CO -0.04 -0.27 0.23 0.00 -1.23 0.00 0.00 174.94 173.63 1rfl s ARG 147 N -3.61 2.54 0.28 2.79 1.70 -1.21 0.14 118.95 121.59 1rfl s ARG 147 Ca 0.31 -1.44 0.02 0.00 -0.47 0.00 0.00 55.73 54.15 1rfl s ARG 147 Cb 0.01 -2.32 -0.04 0.00 -0.57 0.00 0.00 34.95 32.03 1rfl s ARG 147 CO 0.15 0.08 0.13 -0.51 -1.08 0.00 0.00 175.30 174.07 1rfl s LEU 148 N -3.93 1.61 -0.33 -1.89 1.43 -1.26 -2.23 118.68 112.08 1rfl s LEU 148 Ca 0.40 -1.47 0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1rfl s LEU 148 Cb -0.04 0.13 0.44 0.00 0.03 0.00 0.00 46.19 46.76 1rfl s LEU 148 CO 0.25 -0.81 1.28 -0.24 0.23 0.00 0.00 176.35 177.06 1rfl n SER 149 N -0.67 -0.21 0.00 2.29 2.88 -1.26 -4.94 113.62 111.72 1rfl n SER 149 Ca 0.01 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 1rfl n SER 149 Cb 0.66 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 1rfl n SER 149 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rfl n ALA 150 N -0.83 0.00 -3.82 -1.46 0.00 -1.26 -3.99 120.51 109.15 1rfl n ALA 150 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 1rfl n ALA 150 Cb 0.84 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.17 1rfl n ALA 150 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1rfl s ARG 151 N 0.00 1.95 0.00 0.00 1.70 -1.26 -4.50 118.95 116.83 1rfl s ARG 151 Ca 0.00 -1.90 0.00 0.00 -0.47 0.00 0.00 55.73 53.36 1rfl s ARG 151 Cb 0.00 -3.52 0.00 0.00 -0.57 0.00 0.00 34.95 30.86 1rfl s ARG 151 CO 0.00 -1.06 0.00 0.25 -1.08 0.00 0.00 175.30 173.41 1rfl n THR 152 N 4.43 0.00 0.00 4.99 -2.24 -1.26 -5.03 114.28 115.17 1rfl n THR 152 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rfl n THR 152 Cb 0.41 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1rfl n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rfl n GLY 153 N -1.47 1.31 0.08 3.38 0.00 -1.26 -5.04 105.19 102.19 1rfl n GLY 153 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1rfl n GLY 153 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rfl h GLU 154 N 0.00 -0.20 0.00 1.61 4.57 -1.94 -3.23 114.58 115.39 1rfl h GLU 154 Ca 0.00 0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.88 1rfl h GLU 154 Cb 0.00 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 1rfl h GLU 154 CO 0.00 -0.13 -2.15 0.41 -1.18 0.00 0.00 179.01 175.96 1rfl n GLY 155 N -1.11 -1.01 0.43 1.92 0.00 -0.95 -4.14 105.19 100.32 1rfl n GLY 155 Ca -0.03 -0.28 0.23 0.00 0.00 0.00 0.00 46.02 45.95 1rfl n GLY 155 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rfl h VAL 156 N 0.00 0.28 0.44 1.61 2.07 -1.82 1.47 116.25 120.30 1rfl h VAL 156 Ca -0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1rfl h VAL 156 Cb 2.05 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1rfl h VAL 156 CO 0.04 0.00 -0.21 -0.78 0.02 0.00 0.00 177.57 176.64 1rfl h ASP 157 N 0.00 -0.50 0.13 0.57 3.58 -1.71 -2.12 116.42 116.37 1rfl h ASP 157 Ca 0.27 -0.05 -0.30 0.00 0.42 0.00 0.00 57.03 57.37 1rfl h ASP 157 Cb 1.54 0.13 0.03 0.00 1.72 0.00 0.00 39.33 42.75 1rfl h ASP 157 CO -0.00 -0.26 -1.27 -0.37 -2.88 0.00 0.00 179.24 174.46 1rfl h VAL 158 N -0.73 1.28 -0.87 2.25 -1.51 -0.82 -3.28 116.25 112.57 1rfl h VAL 158 Ca -0.06 -2.47 0.19 0.00 -1.23 0.00 0.00 66.70 63.13 1rfl h VAL 158 Cb 0.52 2.72 -0.16 0.00 -2.13 0.00 0.00 31.29 32.24 1rfl h VAL 158 CO 0.10 0.75 -0.13 0.25 -1.23 0.00 0.00 177.57 177.31 1rfl h LEU 159 N 0.27 -0.66 -0.29 4.19 6.46 0.18 0.65 115.31 126.11 1rfl h LEU 159 Ca -0.20 0.25 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1rfl h LEU 159 Cb 1.94 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 42.33 1rfl h LEU 159 CO 0.24 -0.28 0.08 0.03 -0.62 0.00 0.00 178.44 177.90 1rfl h ARG 160 N 0.02 0.20 -0.32 1.25 3.08 -1.44 0.36 114.38 117.53 1rfl h ARG 160 Ca 0.45 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.53 1rfl h ARG 160 Cb 0.76 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 1rfl h ARG 160 CO -0.86 0.13 -0.50 -0.97 -1.07 0.00 0.00 179.97 176.70 1rfl h ASN 161 N 0.21 -1.67 -0.19 7.04 -1.24 0.21 0.61 115.58 120.55 1rfl h ASN 161 Ca 0.13 0.22 0.02 0.00 0.71 0.00 0.00 56.30 57.38 1rfl h ASN 161 Cb 0.11 0.68 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 1rfl h ASN 161 CO -0.15 -0.38 0.05 0.45 -1.29 0.00 0.00 177.43 176.12 1rfl h HIS 162 N -0.39 0.10 -0.89 0.67 3.86 -1.03 0.37 115.15 117.83 1rfl h HIS 162 Ca 0.06 0.01 0.23 0.00 -1.16 0.00 0.00 60.37 59.51 1rfl h HIS 162 Cb 0.55 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 28.88 1rfl h HIS 162 CO -0.69 0.04 0.35 1.25 0.86 0.00 0.00 177.93 179.74 1rfl h LEU 163 N 0.14 0.22 -0.06 2.43 7.12 0.11 0.18 115.31 125.45 1rfl h LEU 163 Ca 0.08 0.17 -0.06 0.00 0.13 0.00 0.00 57.88 58.20 1rfl h LEU 163 Cb 0.06 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1rfl h LEU 163 CO -0.09 -0.07 -0.21 0.50 -0.13 0.00 0.00 178.44 178.44 1rfl h LYS 164 N 0.32 0.24 -3.51 1.25 3.64 0.12 -3.33 116.57 115.29 1rfl h LYS 164 Ca 0.57 -0.18 -0.34 0.00 -1.27 0.00 0.00 60.65 59.43 1rfl h LYS 164 Cb 1.13 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1rfl h LYS 164 CO -0.58 0.81 2.43 0.94 -2.27 0.00 0.00 179.45 180.79 1rfl n GLN 165 N -4.54 1.85 0.00 1.90 7.27 0.12 -2.27 117.38 121.70 1rfl n GLN 165 Ca -0.08 -1.36 0.00 0.00 0.07 0.00 0.00 57.00 55.63 1rfl n GLN 165 Cb 0.43 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.67 1rfl n GLN 165 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1rfl n SER 166 N 4.33 0.00 -2.43 1.69 3.41 -1.22 -4.87 113.62 114.54 1rfl n SER 166 Ca 0.40 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.69 1rfl n SER 166 Cb 0.12 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 1rfl n SER 166 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1rfl n MET 167 N -1.63 0.00 -3.42 4.33 2.81 -0.96 -4.88 117.12 113.37 1rfl n MET 167 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 1rfl n MET 167 Cb 0.00 -0.81 -0.05 0.00 -0.71 0.00 0.00 33.22 31.65 1rfl n MET 167 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1rfl s GLY 168 N 0.02 2.32 0.59 3.03 0.00 -1.23 -4.76 107.32 107.29 1rfl s GLY 168 Ca 0.49 -0.25 -0.18 0.00 0.00 0.00 0.00 44.72 44.78 1rfl s GLY 168 CO 0.31 -0.08 0.30 1.39 0.00 0.00 0.00 173.10 175.02 1rfl n ILE 169 N 0.14 1.49 -0.66 0.90 2.08 -1.26 -2.71 119.36 119.34 1rfl n ILE 169 Ca -0.01 -0.49 0.08 0.00 0.56 0.00 0.00 62.75 62.89 1rfl n ILE 169 Cb 0.52 -0.48 -0.04 0.00 -0.75 0.00 0.00 39.64 38.90 1rfl n ILE 169 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1rfl n HIS 170 N -1.76 -1.75 0.34 1.39 -0.00 -0.65 -4.66 115.22 108.13 1rfl n HIS 170 Ca 0.10 0.96 -0.17 0.00 0.46 0.00 0.00 57.72 59.07 1rfl n HIS 170 Cb 0.48 -1.60 -0.08 0.00 -0.12 0.00 0.00 29.99 28.67 1rfl n HIS 170 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rfl h ARG 171 N -0.64 -0.83 0.00 1.57 3.08 -1.78 -2.98 114.38 112.79 1rfl h ARG 171 Ca -0.08 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1rfl h ARG 171 Cb 0.63 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1rfl h ARG 171 CO 0.03 -0.52 0.00 -0.40 -1.07 0.00 0.00 179.97 178.01