#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7c s ARG 4 N 0.00 0.45 0.39 6.28 6.06 -1.26 -5.01 118.95 125.86 2c7c s ARG 4 Ca 0.00 0.94 -0.27 0.00 -2.50 0.00 0.00 55.73 53.90 2c7c s ARG 4 Cb 0.00 0.24 -0.09 0.00 0.06 0.00 0.00 34.95 35.16 2c7c s ARG 4 CO 0.00 -0.49 1.33 -2.14 -2.50 0.00 0.00 175.30 171.51 2c7c s PRO 5 N 2.72 4.07 -1.31 5.12 0.02 -1.26 -4.92 135.00 139.43 2c7c s PRO 5 Ca 0.10 2.24 -0.08 0.00 0.02 0.00 0.00 61.00 63.28 2c7c s PRO 5 Cb -0.14 -2.86 0.13 0.00 0.02 0.00 0.00 34.50 31.66 2c7c s PRO 5 CO -0.17 -0.44 2.16 -0.11 -0.33 0.00 0.00 177.00 178.10 2c7c n LEU 6 N 0.32 7.40 -1.77 -5.54 -0.00 -1.26 -1.74 117.00 114.41 2c7c n LEU 6 Ca 0.02 -4.75 0.00 0.00 -0.00 0.00 0.00 56.01 51.28 2c7c n LEU 6 Cb 0.42 -1.43 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 2c7c n LEU 6 CO 0.58 1.73 -0.48 0.00 -0.00 0.00 0.00 177.39 179.22 2c7c n HIS 7 N 2.84 -4.70 0.00 1.96 1.44 -1.26 -4.66 115.22 110.84 2c7c n HIS 7 Ca 0.52 2.49 0.00 0.00 -2.01 0.00 0.00 57.72 58.72 2c7c n HIS 7 Cb 0.30 -3.66 0.00 0.00 0.12 0.00 0.00 29.99 26.75 2c7c n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2c7c n ASP 8 N -0.58 0.00 -4.81 4.39 2.03 0.49 -4.88 116.55 113.18 2c7c n ASP 8 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 2c7c n ASP 8 Cb 0.00 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.31 2c7c n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2c7c s ARG 9 N 0.00 4.22 0.00 -0.67 1.81 -1.26 -1.89 118.95 121.16 2c7c s ARG 9 Ca 0.00 1.18 0.01 0.00 -1.72 0.00 0.00 55.73 55.19 2c7c s ARG 9 Cb 0.00 -2.24 -0.01 0.00 -0.45 0.00 0.00 34.95 32.25 2c7c s ARG 9 CO 0.00 -0.05 -0.02 0.08 -0.68 0.00 0.00 175.30 174.63 2c7c s VAL 10 N -2.09 0.17 -0.12 3.52 1.01 0.84 -2.93 120.40 120.80 2c7c s VAL 10 Ca 0.61 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 2c7c s VAL 10 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2c7c s VAL 10 CO 0.15 -0.06 -0.12 -0.63 0.00 0.00 0.00 175.10 174.45 2c7c s ILE 11 N -0.32 3.20 0.04 2.22 1.01 0.35 -1.76 121.20 125.95 2c7c s ILE 11 Ca -0.02 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 2c7c s ILE 11 Cb -0.03 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2c7c s ILE 11 CO -0.00 0.53 -0.04 0.68 0.00 0.00 0.00 174.94 176.11 2c7c s VAL 12 N 0.18 0.23 0.13 2.92 -7.23 0.25 -0.72 120.40 116.17 2c7c s VAL 12 Ca -0.07 -1.39 -0.20 0.00 -1.81 0.00 0.00 61.98 58.51 2c7c s VAL 12 Cb -0.15 -0.94 -0.07 0.00 0.56 0.00 0.00 36.38 35.78 2c7c s VAL 12 CO 0.05 -0.74 0.64 -1.59 -0.31 0.00 0.00 175.10 173.15 2c7c s LYS 13 N -2.71 4.27 0.35 4.82 -2.85 0.11 -0.67 119.74 123.05 2c7c s LYS 13 Ca -0.04 0.83 -0.26 0.00 -1.00 0.00 0.00 55.97 55.51 2c7c s LYS 13 Cb -0.01 -3.14 -0.09 0.00 -2.06 0.00 0.00 37.83 32.52 2c7c s LYS 13 CO -0.05 0.56 1.01 0.50 0.10 0.00 0.00 175.35 177.47 2c7c s ARG 14 N -1.37 4.40 0.38 1.78 3.52 -1.26 -0.57 118.95 125.83 2c7c s ARG 14 Ca 0.34 1.47 -0.06 0.00 -0.13 0.00 0.00 55.73 57.35 2c7c s ARG 14 Cb -0.19 -2.73 0.09 0.00 -1.56 0.00 0.00 34.95 30.55 2c7c s ARG 14 CO 0.21 0.08 0.52 1.63 -0.81 0.00 0.00 175.30 176.93 2c7c n LYS 15 N 0.36 -0.49 -1.74 5.12 5.02 -0.15 -4.88 118.16 121.40 2c7c n LYS 15 Ca 0.03 -0.82 -0.40 0.00 -2.02 0.00 0.00 58.31 55.10 2c7c n LYS 15 Cb 0.49 -0.53 0.02 0.00 -0.02 0.00 0.00 35.03 34.98 2c7c n LYS 15 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2c7c n GLU 16 N -2.10 2.13 -3.41 1.97 -0.58 -1.26 -4.95 120.64 112.43 2c7c n GLU 16 Ca 0.07 0.76 -0.37 0.00 -0.42 0.00 0.00 57.16 57.19 2c7c n GLU 16 Cb 0.23 -2.55 -0.06 0.00 -0.57 0.00 0.00 31.44 28.48 2c7c n GLU 16 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2c7c s VAL 17 N -1.20 5.23 -1.26 2.62 1.01 -1.26 -4.40 120.40 121.14 2c7c s VAL 17 Ca 0.61 0.79 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 2c7c s VAL 17 Cb -0.47 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2c7c s VAL 17 CO 0.57 0.37 0.44 -0.62 0.00 0.00 0.00 175.10 175.86 2c7c n GLU 18 N 3.52 -0.46 -1.52 2.72 1.02 -0.08 -4.45 120.64 121.39 2c7c n GLU 18 Ca -0.09 0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 2c7c n GLU 18 Cb 0.52 -2.62 -0.09 0.00 -0.02 0.00 0.00 31.44 29.23 2c7c n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2c7c n THR 19 N -4.75 -0.03 0.31 2.62 -1.04 -1.26 -4.80 114.28 105.33 2c7c n THR 19 Ca -0.17 -0.40 0.12 0.00 -2.04 0.00 0.00 64.05 61.56 2c7c n THR 19 Cb 0.57 -1.67 0.56 0.00 -1.82 0.00 0.00 70.33 67.97 2c7c n THR 19 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2c7c h LYS 20 N 15.69 0.00 -0.00 -2.82 6.56 -1.79 -1.43 116.57 132.78 2c7c h LYS 20 Ca -0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 2c7c h LYS 20 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2c7c h LYS 20 CO 1.26 0.00 -0.42 -1.13 -2.06 0.00 0.00 179.45 177.09 2c7c n SER 21 N -2.32 0.76 -0.75 0.86 3.41 -1.26 -1.25 113.62 113.07 2c7c n SER 21 Ca 0.01 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 2c7c n SER 21 Cb 0.17 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2c7c n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c7c n ALA 22 N -1.13 2.27 0.20 7.33 0.00 -0.54 -3.81 120.51 124.83 2c7c n ALA 22 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2c7c n ALA 22 Cb 0.34 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2c7c n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c7c n GLY 23 N 0.34 -1.08 0.00 0.00 0.00 -1.22 -5.05 105.19 98.19 2c7c n GLY 23 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2c7c n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7c n GLY 24 N 1.29 1.55 0.12 -0.02 0.00 -1.25 -4.42 105.19 102.47 2c7c n GLY 24 Ca -0.02 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 2c7c n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2c7c h ILE 25 N 0.00 1.09 -3.52 -0.61 2.04 -1.98 -3.49 117.51 111.04 2c7c h ILE 25 Ca 0.00 -2.36 -0.52 0.00 1.00 0.00 0.00 64.86 62.98 2c7c h ILE 25 Cb 0.00 2.70 0.04 0.00 -0.74 0.00 0.00 36.82 38.82 2c7c h ILE 25 CO 0.00 0.63 0.66 -0.69 0.00 0.00 0.00 178.15 178.74 2c7c s VAL 26 N -2.43 3.02 0.16 1.67 1.01 -1.26 -5.04 120.40 117.53 2c7c s VAL 26 Ca -0.21 0.89 -0.28 0.00 0.00 0.00 0.00 61.98 62.38 2c7c s VAL 26 Cb 0.04 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2c7c s VAL 26 CO 0.73 0.16 0.86 -0.22 0.00 0.00 0.00 175.10 176.63 2c7c s LEU 27 N -0.62 4.57 0.15 3.92 0.20 -1.26 -3.38 118.68 122.25 2c7c s LEU 27 Ca 0.55 1.74 0.04 0.00 0.69 0.00 0.00 54.13 57.15 2c7c s LEU 27 Cb -0.38 -3.44 -0.04 0.00 -0.43 0.00 0.00 46.19 41.90 2c7c s LEU 27 CO 0.43 0.11 0.14 0.28 -0.29 0.00 0.00 176.35 177.02 2c7c s THR 28 N -0.76 4.58 0.00 3.68 -1.32 -0.38 -5.00 115.64 116.44 2c7c s THR 28 Ca 0.40 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 2c7c s THR 28 Cb -0.24 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 2c7c s THR 28 CO 0.28 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 2c7c n GLY 29 N -0.22 -0.37 0.00 6.08 0.00 -1.26 -4.53 105.19 104.90 2c7c n GLY 29 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2c7c n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c7c n SER 30 N -2.11 0.00 0.00 1.61 7.64 -1.26 -4.88 113.62 114.62 2c7c n SER 30 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2c7c n SER 30 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2c7c n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c7c n ALA 31 N -0.49 0.00 0.00 -0.43 0.00 -1.26 -5.05 120.51 113.28 2c7c n ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c7c n ALA 31 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2c7c n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7c n ALA 32 N 0.00 0.00 -1.43 0.00 0.00 -1.26 -5.14 120.51 112.68 2c7c n ALA 32 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2c7c n ALA 32 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 2c7c n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7c n ALA 33 N -1.14 -1.73 -1.36 0.00 0.00 -1.26 -5.11 120.51 109.91 2c7c n ALA 33 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2c7c n ALA 33 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2c7c n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2c7c n LYS 34 N -3.48 0.00 -3.40 0.00 3.00 -1.26 -4.78 118.16 108.25 2c7c n LYS 34 Ca 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.45 2c7c n LYS 34 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.42 2c7c n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2c7c s SER 35 N 1.00 -0.33 0.29 3.14 0.15 -1.26 -0.91 113.70 115.79 2c7c s SER 35 Ca 0.00 0.47 0.26 0.00 0.70 0.00 0.00 55.95 57.38 2c7c s SER 35 Cb 0.00 1.32 0.76 0.00 -1.71 0.00 0.00 66.02 66.39 2c7c s SER 35 CO 0.00 -0.07 1.74 0.71 1.20 0.00 0.00 173.24 176.83 2c7c h THR 36 N 5.22 0.00 -3.63 6.45 1.35 -1.92 -3.45 112.91 116.92 2c7c h THR 36 Ca -0.18 -0.56 -0.63 0.00 -0.55 0.00 0.00 66.41 64.48 2c7c h THR 36 Cb 1.14 1.53 -0.14 0.00 -1.73 0.00 0.00 68.15 68.94 2c7c h THR 36 CO 0.11 0.00 -0.10 -0.13 -0.25 0.00 0.00 175.52 175.16 2c7c s ARG 37 N -3.19 3.90 0.42 4.72 3.00 -1.26 -1.04 118.95 125.49 2c7c s ARG 37 Ca 0.08 0.07 0.07 0.00 0.00 0.00 0.00 55.73 55.95 2c7c s ARG 37 Cb 0.10 -3.71 -0.06 0.00 0.00 0.00 0.00 34.95 31.28 2c7c s ARG 37 CO 0.58 -0.43 0.07 0.20 0.00 0.00 0.00 175.30 175.72 2c7c s GLY 38 N 1.65 2.50 -0.11 -3.53 0.00 0.09 -0.97 107.32 106.95 2c7c s GLY 38 Ca 0.18 -2.07 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 2c7c s GLY 38 CO 0.11 -2.05 0.21 1.85 0.00 0.00 0.00 173.10 173.22 2c7c s GLU 39 N -3.79 0.09 0.05 2.90 2.12 0.27 -0.36 118.70 119.98 2c7c s GLU 39 Ca 0.34 0.65 -0.29 0.00 0.36 0.00 0.00 54.97 56.04 2c7c s GLU 39 Cb 0.07 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 2c7c s GLU 39 CO 0.18 -0.29 0.94 0.08 -0.54 0.00 0.00 175.26 175.63 2c7c s VAL 40 N 2.33 4.71 -0.18 3.70 1.01 0.27 -0.72 120.40 131.52 2c7c s VAL 40 Ca 0.02 2.00 0.03 0.00 0.00 0.00 0.00 61.98 64.03 2c7c s VAL 40 Cb -0.12 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 2c7c s VAL 40 CO -0.07 0.25 -0.13 0.18 0.00 0.00 0.00 175.10 175.32 2c7c n LEU 41 N 3.33 2.49 -3.66 3.92 4.77 0.11 -1.69 117.00 126.26 2c7c n LEU 41 Ca 0.03 -0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2c7c n LEU 41 Cb 0.50 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2c7c n LEU 41 CO 0.51 0.75 0.24 0.00 -1.33 0.00 0.00 177.39 177.56 2c7c s ALA 42 N -2.38 -1.55 -0.04 -1.18 0.00 -0.52 -4.87 121.76 111.22 2c7c s ALA 42 Ca -0.23 2.05 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2c7c s ALA 42 Cb 0.06 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2c7c s ALA 42 CO 0.47 -0.33 -0.01 0.08 0.00 0.00 0.00 175.76 175.97 2c7c s VAL 43 N 1.44 4.14 1.16 0.00 1.01 -1.26 -0.50 120.40 126.39 2c7c s VAL 43 Ca -0.09 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 2c7c s VAL 43 Cb -0.06 -2.80 0.28 0.00 0.00 0.00 0.00 36.38 33.80 2c7c s VAL 43 CO -0.16 0.47 1.19 -0.83 0.00 0.00 0.00 175.10 175.78 2c7c s GLY 44 N -1.26 1.66 -1.56 4.51 0.00 -1.15 -4.39 107.32 105.13 2c7c s GLY 44 Ca 0.17 -1.14 -0.10 0.00 0.00 0.00 0.00 44.72 43.64 2c7c s GLY 44 CO 0.07 -0.24 2.99 0.70 0.00 0.00 0.00 173.10 176.61 2c7c n ASN 45 N -4.53 8.62 0.00 1.64 3.02 -0.71 -4.87 115.26 118.42 2c7c n ASN 45 Ca 0.15 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 2c7c n ASN 45 Cb 0.60 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 2c7c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c7c n GLY 46 N 3.54 2.37 3.15 7.41 0.00 -1.26 -4.49 105.19 115.91 2c7c n GLY 46 Ca 0.77 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.49 2c7c n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c7c s ARG 47 N 0.00 0.47 -1.19 1.61 3.52 -0.17 -0.38 118.95 122.81 2c7c s ARG 47 Ca 0.00 0.62 -0.18 0.00 -0.13 0.00 0.00 55.73 56.04 2c7c s ARG 47 Cb 0.00 0.32 0.10 0.00 -1.56 0.00 0.00 34.95 33.81 2c7c s ARG 47 CO 0.00 -0.73 1.54 0.42 -0.81 0.00 0.00 175.30 175.72 2c7c s ILE 48 N 2.87 4.43 0.04 4.11 1.01 -1.26 -0.60 121.20 131.80 2c7c s ILE 48 Ca 0.15 -1.93 -0.06 0.00 0.00 0.00 0.00 60.65 58.81 2c7c s ILE 48 Cb -0.11 -5.05 -0.01 0.00 0.01 0.00 0.00 42.46 37.31 2c7c s ILE 48 CO -0.23 -1.84 0.11 -0.76 0.00 0.00 0.00 174.94 172.22 2c7c s LEU 49 N 3.37 1.77 0.00 2.97 1.43 -1.26 -4.95 118.68 122.00 2c7c s LEU 49 Ca 0.47 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2c7c s LEU 49 Cb 0.00 0.64 0.00 0.00 0.03 0.00 0.00 46.19 46.87 2c7c s LEU 49 CO 0.01 -0.53 0.00 -0.62 0.23 0.00 0.00 176.35 175.44 2c7c n GLU 50 N 0.69 0.00 0.00 1.70 1.02 -1.26 -4.36 120.64 118.43 2c7c n GLU 50 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 2c7c n GLU 50 Cb 0.59 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 2c7c n GLU 50 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2c7c n ASN 51 N 0.00 0.00 -3.64 1.62 5.15 -1.26 -4.87 115.26 112.26 2c7c n ASN 51 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 2c7c n ASN 51 Cb 0.00 -0.13 -0.03 0.00 -0.53 0.00 0.00 39.78 39.09 2c7c n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2c7c n GLY 52 N -1.26 3.47 1.31 8.20 0.00 -1.26 -4.74 105.19 110.91 2c7c n GLY 52 Ca 0.00 -1.41 0.17 0.00 0.00 0.00 0.00 46.02 44.79 2c7c n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c7c n GLU 53 N 6.37 -2.76 -1.78 1.61 4.71 -1.26 -4.78 120.64 122.75 2c7c n GLU 53 Ca 0.51 1.99 -0.42 0.00 -0.01 0.00 0.00 57.16 59.23 2c7c n GLU 53 Cb 0.38 -3.32 -0.02 0.00 -1.01 0.00 0.00 31.44 27.47 2c7c n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2c7c s VAL 54 N -2.79 2.09 0.56 2.62 1.01 -1.26 -4.66 120.40 117.96 2c7c s VAL 54 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 2c7c s VAL 54 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2c7c s VAL 54 CO 0.00 0.01 1.07 -0.54 0.00 0.00 0.00 175.10 175.64 2c7c s LYS 55 N -0.15 3.41 0.93 2.72 -0.14 0.24 -4.82 119.74 121.93 2c7c s LYS 55 Ca 0.65 1.36 -0.14 0.00 -1.36 0.00 0.00 55.97 56.48 2c7c s LYS 55 Cb -0.48 -2.04 0.16 0.00 -1.68 0.00 0.00 37.83 33.79 2c7c s LYS 55 CO 0.45 -0.76 1.18 -1.25 -0.76 0.00 0.00 175.35 174.21 2c7c s PRO 56 N -3.66 0.93 0.09 -1.68 0.04 -1.26 -1.00 135.00 128.46 2c7c s PRO 56 Ca 0.67 0.07 0.09 0.00 0.04 0.00 0.00 61.00 61.87 2c7c s PRO 56 Cb -0.18 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2c7c s PRO 56 CO 0.30 -2.30 -0.24 -0.51 0.04 0.00 0.00 177.00 174.30 2c7c s LEU 57 N -6.02 2.26 -0.08 -3.56 1.43 -1.26 -4.56 118.68 106.89 2c7c s LEU 57 Ca 0.66 -0.66 0.16 0.00 -1.03 0.00 0.00 54.13 53.26 2c7c s LEU 57 Cb -0.11 -1.07 -0.24 0.00 0.03 0.00 0.00 46.19 44.80 2c7c s LEU 57 CO 0.53 0.15 0.24 -0.67 0.23 0.00 0.00 176.35 176.82 2c7c n ASP 58 N 1.27 1.03 -4.79 2.29 2.03 -1.26 -4.99 116.55 112.13 2c7c n ASP 58 Ca -0.18 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.81 2c7c n ASP 58 Cb 0.53 1.41 0.05 0.00 -0.72 0.00 0.00 41.12 42.38 2c7c n ASP 58 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2c7c s VAL 59 N -2.85 3.55 0.23 5.18 -7.23 -1.26 -5.10 120.40 112.92 2c7c s VAL 59 Ca -0.07 0.63 0.06 0.00 -1.81 0.00 0.00 61.98 60.79 2c7c s VAL 59 Cb 0.08 -3.19 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 2c7c s VAL 59 CO 0.70 -0.53 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.30 2c7c s LYS 60 N -4.44 1.37 -0.03 4.82 -2.85 -1.26 -4.97 119.74 112.37 2c7c s LYS 60 Ca 0.63 -1.66 -0.30 0.00 -1.00 0.00 0.00 55.97 53.64 2c7c s LYS 60 Cb -0.17 -0.91 -0.06 0.00 -2.06 0.00 0.00 37.83 34.62 2c7c s LYS 60 CO 0.46 0.03 1.68 0.08 0.10 0.00 0.00 175.35 177.70 2c7c s VAL 61 N -3.17 3.48 0.00 1.79 1.01 -1.26 -2.53 120.40 119.72 2c7c s VAL 61 Ca 0.26 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2c7c s VAL 61 Cb 0.03 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2c7c s VAL 61 CO 0.08 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2c7c n GLY 62 N 4.14 0.78 3.81 4.51 0.00 -0.68 -5.01 105.19 112.73 2c7c n GLY 62 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2c7c n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c7c s ASP 63 N -2.44 6.19 -0.23 1.61 1.01 -1.05 -4.85 116.67 116.92 2c7c s ASP 63 Ca 0.00 1.80 -0.06 0.00 0.71 0.00 0.00 52.55 55.00 2c7c s ASP 63 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2c7c s ASP 63 CO 0.00 -0.88 0.04 -0.63 0.21 0.00 0.00 175.17 173.91 2c7c s ILE 64 N -2.31 4.17 0.04 0.77 1.01 -1.26 -0.57 121.20 123.04 2c7c s ILE 64 Ca 0.64 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 61.13 2c7c s ILE 64 Cb -0.15 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2c7c s ILE 64 CO 0.29 0.38 -0.19 0.68 0.00 0.00 0.00 174.94 176.10 2c7c s VAL 65 N 1.32 1.55 -0.15 2.92 -7.23 0.52 -4.55 120.40 114.77 2c7c s VAL 65 Ca 0.05 -1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.92 2c7c s VAL 65 Cb -0.15 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 2c7c s VAL 65 CO 0.02 0.18 0.38 -0.63 -0.31 0.00 0.00 175.10 174.75 2c7c s ILE 66 N -0.78 5.24 0.08 -0.62 1.01 0.31 -0.73 121.20 125.71 2c7c s ILE 66 Ca 0.06 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.45 2c7c s ILE 66 Cb -0.08 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2c7c s ILE 66 CO 0.02 0.34 -0.05 0.72 0.00 0.00 0.00 174.94 175.96 2c7c s PHE 67 N 0.70 0.75 -0.14 3.97 -0.12 -0.21 -0.60 117.98 122.34 2c7c s PHE 67 Ca 0.20 -0.94 -0.23 0.00 -0.05 0.00 0.00 56.93 55.91 2c7c s PHE 67 Cb -0.14 -0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 41.76 2c7c s PHE 67 CO 0.07 -0.22 0.72 1.21 -0.05 0.00 0.00 175.22 176.95 2c7c s ASN 68 N -2.90 6.89 -0.04 1.98 2.47 0.36 -4.64 114.94 119.06 2c7c s ASN 68 Ca 0.09 1.08 -0.00 0.00 0.42 0.00 0.00 52.86 54.45 2c7c s ASN 68 Cb 0.05 -2.41 0.03 0.00 -1.45 0.00 0.00 41.25 37.47 2c7c s ASN 68 CO -0.06 -0.25 1.87 -0.67 -3.72 0.00 0.00 177.10 174.27 2c7c n ASP 69 N 4.62 5.16 -4.38 -4.21 4.64 -1.26 -4.80 116.55 116.32 2c7c n ASP 69 Ca 0.01 -2.44 -0.27 0.00 -1.38 0.00 0.00 54.79 50.71 2c7c n ASP 69 Cb 0.50 -1.04 0.15 0.00 -1.04 0.00 0.00 41.12 39.69 2c7c n ASP 69 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2c7c s GLY 70 N 1.64 1.77 0.24 0.27 0.00 -1.26 -4.92 107.32 105.06 2c7c s GLY 70 Ca 0.04 -1.53 0.17 0.00 0.00 0.00 0.00 44.72 43.39 2c7c s GLY 70 CO 0.00 -0.85 1.51 2.98 0.00 0.00 0.00 173.10 176.74 2c7c n TYR 71 N -3.31 0.55 0.22 1.90 9.36 -1.26 -0.98 117.16 123.65 2c7c n TYR 71 Ca 0.16 0.28 0.08 0.00 3.32 0.00 0.00 57.90 61.74 2c7c n TYR 71 Cb 0.60 -0.95 0.53 0.00 -0.63 0.00 0.00 39.34 38.89 2c7c n TYR 71 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2c7c h GLY 72 N 0.23 0.00 -5.49 2.98 0.00 -1.93 -3.43 103.07 95.43 2c7c h GLY 72 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2c7c h GLY 72 CO 0.00 0.00 0.97 0.14 0.00 0.00 0.00 176.54 177.65 2c7c s VAL 73 N -4.11 4.09 0.41 4.60 1.01 -0.16 -4.33 120.40 121.91 2c7c s VAL 73 Ca -0.02 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2c7c s VAL 73 Cb 0.13 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.59 2c7c s VAL 73 CO 0.65 -0.24 0.18 0.29 0.00 0.00 0.00 175.10 175.98 2c7c n LYS 74 N 6.99 0.95 -4.22 2.72 4.76 0.61 -4.98 118.16 125.01 2c7c n LYS 74 Ca 0.15 -2.73 -0.15 0.00 -2.87 0.00 0.00 58.31 52.71 2c7c n LYS 74 Cb 0.45 0.49 -0.08 0.00 -1.84 0.00 0.00 35.03 34.05 2c7c n LYS 74 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2c7c s SER 75 N -3.33 0.87 0.12 4.39 0.15 -1.26 -1.15 113.70 113.49 2c7c s SER 75 Ca 0.13 -1.54 -0.25 0.00 0.70 0.00 0.00 55.95 55.00 2c7c s SER 75 Cb -0.01 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 64.87 2c7c s SER 75 CO 0.08 -0.99 0.73 -1.61 1.20 0.00 0.00 173.24 172.65 2c7c s GLU 76 N -3.74 1.19 -0.28 5.44 0.41 -0.25 -4.83 118.70 116.63 2c7c s GLU 76 Ca 0.38 -0.49 0.03 0.00 -0.41 0.00 0.00 54.97 54.49 2c7c s GLU 76 Cb 0.04 0.52 0.07 0.00 -1.78 0.00 0.00 34.13 32.97 2c7c s GLU 76 CO 0.19 -0.53 -0.07 0.21 -0.49 0.00 0.00 175.26 174.58 2c7c s LYS 77 N -3.54 2.06 -0.32 1.61 2.47 -1.26 -0.47 119.74 120.29 2c7c s LYS 77 Ca 0.04 -1.48 -0.08 0.00 -1.56 0.00 0.00 55.97 52.90 2c7c s LYS 77 Cb -0.02 -2.97 0.02 0.00 -1.46 0.00 0.00 37.83 33.40 2c7c s LYS 77 CO -0.09 -0.66 0.11 0.42 0.16 0.00 0.00 175.35 175.29 2c7c s ILE 78 N 1.05 4.06 0.00 5.43 1.09 -0.06 -4.68 121.20 128.10 2c7c s ILE 78 Ca -0.04 -0.80 0.00 0.00 -1.10 0.00 0.00 60.65 58.71 2c7c s ILE 78 Cb -0.20 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 38.04 2c7c s ILE 78 CO -0.06 -0.03 0.00 0.47 -0.10 0.00 0.00 174.94 175.22 2c7c n ASP 79 N 4.88 -0.42 0.00 3.58 8.00 -1.26 -0.76 116.55 130.57 2c7c n ASP 79 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2c7c n ASP 79 Cb 0.47 -2.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.03 2c7c n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2c7c n ASN 80 N -0.07 0.00 -4.88 -2.24 5.15 -1.26 -5.14 115.26 106.82 2c7c n ASN 80 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 2c7c n ASN 80 Cb 0.03 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.30 2c7c n ASN 80 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2c7c s GLU 81 N 0.00 3.47 0.18 1.20 8.01 0.06 -5.05 118.70 126.56 2c7c s GLU 81 Ca 0.00 0.57 -0.22 0.00 0.01 0.00 0.00 54.97 55.33 2c7c s GLU 81 Cb 0.00 -2.14 -0.08 0.00 -4.31 0.00 0.00 34.13 27.60 2c7c s GLU 81 CO 0.00 -0.56 0.73 -1.21 0.01 0.00 0.00 175.26 174.23 2c7c s GLU 82 N -5.10 4.37 -0.06 1.61 0.41 -1.26 -0.88 118.70 117.79 2c7c s GLU 82 Ca 0.54 0.97 0.02 0.00 -0.41 0.00 0.00 54.97 56.09 2c7c s GLU 82 Cb -0.11 -3.08 0.01 0.00 -1.78 0.00 0.00 34.13 29.18 2c7c s GLU 82 CO 0.51 0.50 -0.13 0.14 -0.49 0.00 0.00 175.26 175.80 2c7c s VAL 83 N -1.32 1.15 0.27 2.63 -7.23 0.38 -4.88 120.40 111.40 2c7c s VAL 83 Ca 0.38 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.77 2c7c s VAL 83 Cb -0.20 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.61 2c7c s VAL 83 CO 0.23 0.35 0.96 -0.76 -0.31 0.00 0.00 175.10 175.57 2c7c s LEU 84 N 0.57 4.53 -0.19 1.32 1.02 0.15 -1.09 118.68 125.00 2c7c s LEU 84 Ca -0.13 1.95 -0.01 0.00 0.02 0.00 0.00 54.13 55.96 2c7c s LEU 84 Cb -0.15 -3.75 0.05 0.00 0.02 0.00 0.00 46.19 42.37 2c7c s LEU 84 CO 0.03 0.04 -0.01 -0.63 0.02 0.00 0.00 176.35 175.81 2c7c s ILE 85 N -1.32 0.87 0.48 -0.59 1.01 -0.30 -0.58 121.20 120.77 2c7c s ILE 85 Ca 0.45 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.45 2c7c s ILE 85 Cb -0.24 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 2c7c s ILE 85 CO 0.30 -0.07 0.05 0.00 0.00 0.00 0.00 174.94 175.22 2c7c s MET 86 N 1.71 2.13 0.23 2.79 0.23 -0.72 -0.28 119.30 125.40 2c7c s MET 86 Ca -0.01 -2.35 -0.04 0.00 -1.03 0.00 0.00 55.69 52.26 2c7c s MET 86 Cb -0.17 -1.20 -0.05 0.00 -1.53 0.00 0.00 34.83 31.88 2c7c s MET 86 CO -0.07 -0.43 0.47 -1.54 -2.03 0.00 0.00 175.02 171.42 2c7c s SER 87 N -3.80 6.44 0.65 -1.18 1.04 -1.26 -0.11 113.70 115.48 2c7c s SER 87 Ca 0.10 0.59 0.37 0.00 0.48 0.00 0.00 55.95 57.49 2c7c s SER 87 Cb 0.01 -2.09 2.06 0.00 0.10 0.00 0.00 66.02 66.10 2c7c s SER 87 CO 0.06 -0.10 2.20 -0.08 0.98 0.00 0.00 173.24 176.30 2c7c h GLU 88 N 2.00 0.00 0.00 4.02 4.81 -1.71 -1.43 114.58 122.27 2c7c h GLU 88 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2c7c h GLU 88 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2c7c h GLU 88 CO 0.68 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.83 2c7c n SER 89 N -3.17 0.19 0.00 1.04 3.41 -1.26 -0.75 113.62 113.08 2c7c n SER 89 Ca -0.02 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 2c7c n SER 89 Cb 0.20 -0.61 0.04 0.00 -0.26 0.00 0.00 64.21 63.58 2c7c n SER 89 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2c7c n ASP 90 N -1.75 0.74 -4.77 4.04 8.00 -0.54 -4.99 116.55 117.28 2c7c n ASP 90 Ca 0.00 -0.58 -0.39 0.00 0.71 0.00 0.00 54.79 54.53 2c7c n ASP 90 Cb 0.05 0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 41.80 2c7c n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c7c s ILE 91 N -3.04 4.68 -0.05 0.53 1.01 0.07 -0.48 121.20 123.92 2c7c s ILE 91 Ca 0.08 1.46 -0.03 0.00 0.00 0.00 0.00 60.65 62.16 2c7c s ILE 91 Cb 0.16 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2c7c s ILE 91 CO 0.80 0.46 -0.06 0.18 0.00 0.00 0.00 174.94 176.32 2c7c n LEU 92 N 2.22 0.39 -3.67 2.97 4.77 0.23 -4.98 117.00 118.93 2c7c n LEU 92 Ca -0.06 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 2c7c n LEU 92 Cb 0.50 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 2c7c n LEU 92 CO 0.45 0.07 0.83 0.00 -1.33 0.00 0.00 177.39 177.41 2c7c s ALA 93 N -2.09 -1.86 0.11 -1.18 0.00 -1.22 -5.01 121.76 110.50 2c7c s ALA 93 Ca -0.07 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.46 2c7c s ALA 93 Cb 0.03 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 2c7c s ALA 93 CO 0.09 -0.97 -0.21 0.42 0.00 0.00 0.00 175.76 175.09 2c7c s ILE 94 N -2.97 1.73 0.00 0.00 1.01 -1.26 -0.53 121.20 119.18 2c7c s ILE 94 Ca 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.18 2c7c s ILE 94 Cb 0.00 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2c7c s ILE 94 CO -0.01 -0.09 0.00 0.52 0.00 0.00 0.00 174.94 175.36