#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gru s ASN 2 N 0.00 4.96 0.50 6.12 4.22 -1.26 -4.73 114.94 124.75 1gru s ASN 2 Ca 0.00 -0.77 0.05 0.00 -2.14 0.00 0.00 52.86 50.00 1gru s ASN 2 Cb 0.00 -0.62 0.03 0.00 1.28 0.00 0.00 41.25 41.94 1gru s ASN 2 CO 0.00 -0.57 0.69 0.27 -2.04 0.00 0.00 177.10 175.45 1gru s ILE 3 N -2.47 2.75 -0.24 0.54 -5.25 -1.26 -5.12 121.20 110.15 1gru s ILE 3 Ca 0.45 -0.85 -0.02 0.00 -0.99 0.00 0.00 60.65 59.24 1gru s ILE 3 Cb -0.02 -2.90 0.12 0.00 2.95 0.00 0.00 42.46 42.61 1gru s ILE 3 CO 0.26 0.00 0.32 -0.60 -1.79 0.00 0.00 174.94 173.13 1gru s ARG 4 N -4.58 0.30 0.21 0.37 6.06 -1.26 -5.01 118.95 115.04 1gru s ARG 4 Ca 0.57 0.28 -0.03 0.00 -2.50 0.00 0.00 55.73 54.05 1gru s ARG 4 Cb -0.09 -0.72 0.04 0.00 0.06 0.00 0.00 34.95 34.24 1gru s ARG 4 CO 0.36 -0.75 0.10 -0.35 -2.50 0.00 0.00 175.30 172.16 1gru n PRO 5 N 5.34 -0.77 -3.33 5.12 -0.04 -1.26 -4.98 135.00 135.07 1gru n PRO 5 Ca -0.04 -0.17 -0.26 0.00 -0.04 0.00 0.00 63.50 63.00 1gru n PRO 5 Cb 0.49 -0.29 -0.09 0.00 -0.04 0.00 0.00 33.50 33.57 1gru n PRO 5 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1gru n LEU 6 N 0.00 -0.21 -1.63 1.53 -0.00 -1.26 -4.83 117.00 110.61 1gru n LEU 6 Ca 0.02 -4.49 0.00 0.00 -0.00 0.00 0.00 56.01 51.54 1gru n LEU 6 Cb 0.07 0.55 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1gru n LEU 6 CO 0.05 1.93 -0.11 0.00 -0.00 0.00 0.00 177.39 179.25 1gru n HIS 7 N 2.36 -1.15 0.00 1.96 1.44 -1.26 -4.05 115.22 114.52 1gru n HIS 7 Ca 0.27 0.66 0.00 0.00 -2.01 0.00 0.00 57.72 56.64 1gru n HIS 7 Cb 0.49 -1.23 0.00 0.00 0.12 0.00 0.00 29.99 29.37 1gru n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1gru n ASP 8 N 1.19 0.00 -4.69 4.39 2.03 -1.26 -4.72 116.55 113.50 1gru n ASP 8 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1gru n ASP 8 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1gru n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1gru s ARG 9 N 0.00 4.29 -0.13 -0.67 1.81 -1.26 -2.09 118.95 120.89 1gru s ARG 9 Ca 0.00 1.95 0.00 0.00 -1.72 0.00 0.00 55.73 55.96 1gru s ARG 9 Cb 0.00 -3.57 -0.01 0.00 -0.45 0.00 0.00 34.95 30.91 1gru s ARG 9 CO 0.00 -0.57 -0.14 0.08 -0.68 0.00 0.00 175.30 173.99 1gru s VAL 10 N 2.40 2.90 -0.22 3.52 1.01 0.37 -1.74 120.40 128.64 1gru s VAL 10 Ca 0.63 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1gru s VAL 10 Cb -0.31 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1gru s VAL 10 CO 0.26 0.52 0.37 -0.63 0.00 0.00 0.00 175.10 175.63 1gru s ILE 11 N 0.47 5.20 0.41 2.22 1.01 -1.00 -2.08 121.20 127.43 1gru s ILE 11 Ca -0.10 0.63 0.05 0.00 0.00 0.00 0.00 60.65 61.23 1gru s ILE 11 Cb -0.16 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1gru s ILE 11 CO 0.05 0.23 0.18 0.68 0.00 0.00 0.00 174.94 176.08 1gru s VAL 12 N 1.51 0.38 -0.08 2.92 -7.23 0.73 0.31 120.40 118.94 1gru s VAL 12 Ca 0.17 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 1gru s VAL 12 Cb -0.15 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.51 1gru s VAL 12 CO 0.08 0.00 0.13 -1.59 -0.31 0.00 0.00 175.10 173.41 1gru s LYS 13 N -3.60 0.01 1.27 4.82 -2.85 -1.08 0.42 119.74 118.73 1gru s LYS 13 Ca 0.26 0.45 -0.17 0.00 -1.00 0.00 0.00 55.97 55.51 1gru s LYS 13 Cb 0.02 -0.50 0.30 0.00 -2.06 0.00 0.00 37.83 35.59 1gru s LYS 13 CO 0.18 -0.36 0.82 -2.13 0.10 0.00 0.00 175.35 173.96 1gru n ARG 14 N 5.31 -3.19 -0.87 1.78 0.63 -1.26 -1.90 116.66 117.16 1gru n ARG 14 Ca -0.04 -0.92 0.00 0.00 -0.92 0.00 0.00 57.85 55.96 1gru n ARG 14 Cb 0.50 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1gru n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1gru n LYS 15 N -4.77 2.77 -1.71 -0.14 5.02 -0.80 -4.80 118.16 113.71 1gru n LYS 15 Ca 0.05 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 1gru n LYS 15 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 1gru n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gru s GLU 16 N -0.31 2.53 0.18 1.97 0.41 -1.26 -4.67 118.70 117.55 1gru s GLU 16 Ca 0.00 1.36 -0.33 0.00 -0.41 0.00 0.00 54.97 55.59 1gru s GLU 16 Cb 0.00 -4.46 -0.14 0.00 -1.78 0.00 0.00 34.13 27.75 1gru s GLU 16 CO 0.00 -2.80 1.50 0.28 -0.49 0.00 0.00 175.26 173.75 1gru n VAL 17 N 7.73 0.30 -3.72 2.63 0.31 -1.26 -3.24 118.33 121.08 1gru n VAL 17 Ca 0.31 -0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.42 1gru n VAL 17 Cb 0.52 -1.44 0.01 0.00 -0.91 0.00 0.00 33.84 32.01 1gru n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1gru n GLU 18 N 2.89 -0.75 -1.76 5.55 1.02 -1.26 -4.78 120.64 121.55 1gru n GLU 18 Ca 0.15 -0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 1gru n GLU 18 Cb 0.29 -0.19 -0.03 0.00 -0.02 0.00 0.00 31.44 31.49 1gru n GLU 18 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1gru s THR 19 N -4.24 2.11 -0.52 2.62 2.01 -1.20 -4.60 115.64 111.81 1gru s THR 19 Ca 0.14 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 1gru s THR 19 Cb -0.08 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1gru s THR 19 CO 0.30 0.01 1.95 -0.54 -0.69 0.00 0.00 174.62 175.65 1gru s LYS 20 N 1.18 2.69 0.00 4.92 3.01 -1.26 -4.21 119.74 126.07 1gru s LYS 20 Ca 0.74 0.95 0.00 0.00 -1.01 0.00 0.00 55.97 56.65 1gru s LYS 20 Cb -0.49 -4.38 0.00 0.00 -1.01 0.00 0.00 37.83 31.95 1gru s LYS 20 CO 0.32 -2.63 0.00 -1.13 0.51 0.00 0.00 175.35 172.42 1gru n SER 21 N 12.77 0.00 -4.71 2.83 3.41 -1.16 -4.71 113.62 122.05 1gru n SER 21 Ca 0.24 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.54 1gru n SER 21 Cb 0.51 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.60 1gru n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gru s ALA 22 N 0.00 1.77 0.00 7.33 0.00 -1.24 -2.33 121.76 127.30 1gru s ALA 22 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1gru s ALA 22 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1gru s ALA 22 CO 0.00 -2.37 0.00 0.41 0.00 0.00 0.00 175.76 173.80 1gru n GLY 23 N -0.19 0.55 3.68 0.00 0.00 -1.26 -3.78 105.19 104.19 1gru n GLY 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1gru n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gru n GLY 24 N -2.02 1.33 0.20 -0.02 0.00 -0.98 -3.97 105.19 99.73 1gru n GLY 24 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.46 1gru n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gru h ILE 25 N 0.00 1.24 -1.58 -0.61 2.04 -1.81 -3.43 117.51 113.37 1gru h ILE 25 Ca 0.00 -1.16 -0.73 0.00 1.00 0.00 0.00 64.86 63.97 1gru h ILE 25 Cb 0.00 1.59 0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1gru h ILE 25 CO 0.00 0.34 0.83 0.52 0.00 0.00 0.00 178.15 179.83 1gru n VAL 26 N -4.14 0.26 -2.99 1.67 0.31 -1.25 -4.88 118.33 107.31 1gru n VAL 26 Ca -0.02 -0.05 -0.44 0.00 -0.01 0.00 0.00 64.34 63.82 1gru n VAL 26 Cb 0.38 -1.17 -0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1gru n VAL 26 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1gru s LEU 27 N 3.01 5.21 -0.23 7.52 0.20 -1.26 -2.99 118.68 130.13 1gru s LEU 27 Ca 0.96 -2.93 -0.28 0.00 0.69 0.00 0.00 54.13 52.57 1gru s LEU 27 Cb -1.04 -2.38 -0.05 0.00 -0.43 0.00 0.00 46.19 42.30 1gru s LEU 27 CO 0.62 -0.74 2.15 0.28 -0.29 0.00 0.00 176.35 178.37 1gru s THR 28 N 1.41 3.09 0.59 3.68 -1.32 -1.26 -4.92 115.64 116.90 1gru s THR 28 Ca 0.40 0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.79 1gru s THR 28 Cb -0.04 -3.11 -0.04 0.00 -1.51 0.00 0.00 72.50 67.80 1gru s THR 28 CO -0.02 -0.07 1.14 -0.83 -2.21 0.00 0.00 174.62 172.63 1gru s GLY 29 N 7.86 2.50 -0.63 6.08 0.00 -1.26 -4.15 107.32 117.72 1gru s GLY 29 Ca 0.97 0.77 -0.26 0.00 0.00 0.00 0.00 44.72 46.20 1gru s GLY 29 CO 0.35 1.14 2.18 -0.45 0.00 0.00 0.00 173.10 176.32 1gru s SER 30 N -1.98 4.68 -0.09 1.64 0.15 -1.26 -4.82 113.70 112.02 1gru s SER 30 Ca 0.72 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.81 1gru s SER 30 Cb -0.24 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1gru s SER 30 CO 0.32 -2.89 2.14 0.00 1.20 0.00 0.00 173.24 174.02 1gru n ALA 31 N 15.19 4.51 -2.64 5.45 0.00 -1.26 -4.72 120.51 137.03 1gru n ALA 31 Ca 0.34 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 1gru n ALA 31 Cb 0.51 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1gru n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gru n ALA 32 N 1.28 -0.50 -2.51 0.00 0.00 -1.26 -5.05 120.51 112.47 1gru n ALA 32 Ca 0.12 0.15 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 1gru n ALA 32 Cb 0.55 -2.25 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 1gru n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gru s ALA 33 N -2.86 3.53 0.47 0.00 0.00 -1.26 -5.17 121.76 116.47 1gru s ALA 33 Ca 0.15 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 50.10 1gru s ALA 33 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1gru s ALA 33 CO 0.19 -0.16 0.08 0.21 0.00 0.00 0.00 175.76 176.09 1gru s LYS 34 N -3.86 2.10 0.03 0.00 2.47 -1.26 -4.66 119.74 114.55 1gru s LYS 34 Ca 0.37 -2.33 -0.01 0.00 -1.56 0.00 0.00 55.97 52.44 1gru s LYS 34 Cb 0.05 -0.97 -0.04 0.00 -1.46 0.00 0.00 37.83 35.41 1gru s LYS 34 CO 0.20 -0.48 0.19 0.45 0.16 0.00 0.00 175.35 175.87 1gru s SER 35 N -3.75 6.30 -0.01 1.43 0.15 -1.26 -4.52 113.70 112.04 1gru s SER 35 Ca 0.13 0.28 0.07 0.00 0.70 0.00 0.00 55.95 57.13 1gru s SER 35 Cb 0.01 -1.94 -0.09 0.00 -1.71 0.00 0.00 66.02 62.29 1gru s SER 35 CO 0.09 0.21 0.20 0.35 1.20 0.00 0.00 173.24 175.29 1gru n THR 36 N 0.61 0.00 -2.61 6.45 -2.24 -1.26 -4.82 114.28 110.41 1gru n THR 36 Ca -0.08 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1gru n THR 36 Cb 0.52 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1gru n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gru s ARG 37 N -2.14 3.89 0.30 -0.78 3.00 -1.26 -2.79 118.95 119.17 1gru s ARG 37 Ca -0.01 0.76 -0.20 0.00 0.00 0.00 0.00 55.73 56.29 1gru s ARG 37 Cb 0.05 -2.25 0.03 0.00 0.00 0.00 0.00 34.95 32.78 1gru s ARG 37 CO 0.27 -0.16 0.73 0.20 0.00 0.00 0.00 175.30 176.34 1gru s GLY 38 N -3.06 0.02 -0.16 -3.53 0.00 -0.37 -1.91 107.32 98.31 1gru s GLY 38 Ca 0.56 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.87 1gru s GLY 38 CO 0.30 -0.15 -0.18 1.85 0.00 0.00 0.00 173.10 174.93 1gru s GLU 39 N -3.60 3.10 0.32 2.90 2.12 -0.80 -0.85 118.70 121.89 1gru s GLU 39 Ca 0.12 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 1gru s GLU 39 Cb -0.06 -2.57 -0.11 0.00 0.26 0.00 0.00 34.13 31.65 1gru s GLU 39 CO 0.08 -0.06 1.57 0.08 -0.54 0.00 0.00 175.26 176.38 1gru s VAL 40 N 0.98 2.05 -0.00 3.70 1.01 -0.22 -2.63 120.40 125.28 1gru s VAL 40 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1gru s VAL 40 Cb -0.15 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1gru s VAL 40 CO -0.04 0.01 -0.01 0.18 0.00 0.00 0.00 175.10 175.24 1gru n LEU 41 N 1.71 1.30 -4.21 3.92 4.77 0.15 -2.02 117.00 122.62 1gru n LEU 41 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1gru n LEU 41 Cb 0.38 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1gru n LEU 41 CO 0.64 0.22 -0.41 0.00 -1.33 0.00 0.00 177.39 176.51 1gru s ALA 42 N -2.01 1.25 -0.08 -1.18 0.00 -0.99 -4.76 121.76 114.00 1gru s ALA 42 Ca -0.01 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 1gru s ALA 42 Cb 0.00 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1gru s ALA 42 CO 0.01 -0.08 -0.01 0.08 0.00 0.00 0.00 175.76 175.75 1gru s VAL 43 N -2.96 0.49 1.06 0.00 1.01 -1.26 -2.37 120.40 116.37 1gru s VAL 43 Ca 0.11 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1gru s VAL 43 Cb 0.00 -0.62 0.22 0.00 0.00 0.00 0.00 36.38 35.99 1gru s VAL 43 CO -0.00 0.28 1.07 -0.83 0.00 0.00 0.00 175.10 175.62 1gru s GLY 44 N 1.87 1.56 0.00 4.51 0.00 -0.71 -4.75 107.32 109.79 1gru s GLY 44 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1gru s GLY 44 CO -0.05 0.35 0.98 0.70 0.00 0.00 0.00 173.10 175.08 1gru n ASN 45 N -4.43 0.00 0.00 1.64 3.02 -1.26 -4.34 115.26 109.89 1gru n ASN 45 Ca 0.04 0.98 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1gru n ASN 45 Cb 0.56 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1gru n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gru n GLY 46 N -0.99 2.50 3.33 7.41 0.00 -1.26 -3.92 105.19 112.25 1gru n GLY 46 Ca 0.00 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1gru n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gru n ARG 47 N -0.70 0.10 0.00 1.61 0.63 0.31 -4.10 116.66 114.51 1gru n ARG 47 Ca 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1gru n ARG 47 Cb 0.00 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1gru n ARG 47 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1gru n ILE 48 N -2.43 0.33 -0.77 5.15 5.41 -1.26 -2.09 119.36 123.69 1gru n ILE 48 Ca 0.07 -0.56 -0.33 0.00 1.00 0.00 0.00 62.75 62.93 1gru n ILE 48 Cb 0.51 0.96 0.13 0.00 -0.71 0.00 0.00 39.64 40.54 1gru n ILE 48 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1gru n LEU 49 N -0.16 -1.87 -2.52 1.39 4.77 -1.26 -3.36 117.00 113.99 1gru n LEU 49 Ca 0.00 0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1gru n LEU 49 Cb 0.16 -1.00 -0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1gru n LEU 49 CO 0.00 -3.48 -0.16 1.21 -1.33 0.00 0.00 177.39 173.63 1gru n GLU 50 N -1.22 -2.33 0.00 3.23 2.13 -1.26 -4.37 120.64 116.81 1gru n GLU 50 Ca 0.03 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1gru n GLU 50 Cb 0.60 -5.27 0.00 0.00 0.27 0.00 0.00 31.44 27.04 1gru n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1gru n ASN 51 N -1.88 0.00 -4.40 4.31 5.15 -1.21 -4.75 115.26 112.47 1gru n ASN 51 Ca -0.15 0.00 -0.52 0.00 -0.60 0.00 0.00 54.58 53.31 1gru n ASN 51 Cb 0.62 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.78 1gru n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gru n GLY 52 N 0.00 0.26 1.26 8.20 0.00 -1.26 -4.66 105.19 109.00 1gru n GLY 52 Ca 0.00 0.98 0.17 0.00 0.00 0.00 0.00 46.02 47.17 1gru n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gru n GLU 53 N 8.08 -2.65 -3.62 1.61 4.71 -1.26 -4.84 120.64 122.67 1gru n GLU 53 Ca 0.46 1.87 -0.29 0.00 -0.01 0.00 0.00 57.16 59.19 1gru n GLU 53 Cb 0.16 -3.19 -0.13 0.00 -1.01 0.00 0.00 31.44 27.28 1gru n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1gru s VAL 54 N -2.62 0.87 0.14 2.62 1.01 -1.26 -4.70 120.40 116.47 1gru s VAL 54 Ca 0.00 -2.11 -0.34 0.00 0.00 0.00 0.00 61.98 59.53 1gru s VAL 54 Cb 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 36.38 34.62 1gru s VAL 54 CO 0.00 -0.91 1.62 2.29 0.00 0.00 0.00 175.10 178.10 1gru n LYS 55 N 3.87 2.21 -0.73 2.72 0.00 -0.89 -4.72 118.16 120.63 1gru n LYS 55 Ca 0.09 0.80 -0.29 0.00 -0.00 0.00 0.00 58.31 58.90 1gru n LYS 55 Cb 0.36 -2.58 0.25 0.00 -0.00 0.00 0.00 35.03 33.06 1gru n LYS 55 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1gru s PRO 56 N 1.21 -1.44 -0.13 -1.58 0.04 -1.26 -0.53 135.00 131.32 1gru s PRO 56 Ca 0.80 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 1gru s PRO 56 Cb -0.66 -1.54 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1gru s PRO 56 CO 0.38 -3.94 0.10 -0.51 0.04 0.00 0.00 177.00 173.08 1gru s LEU 57 N -7.23 4.13 0.00 -3.56 1.43 -1.25 -4.63 118.68 107.57 1gru s LEU 57 Ca 0.69 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1gru s LEU 57 Cb -0.17 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1gru s LEU 57 CO 0.59 0.34 0.65 0.47 0.23 0.00 0.00 176.35 178.64 1gru n ASP 58 N 2.41 0.24 -4.00 2.29 9.92 -1.26 -4.68 116.55 121.46 1gru n ASP 58 Ca -0.19 -1.55 -0.28 0.00 -0.53 0.00 0.00 54.79 52.24 1gru n ASP 58 Cb 0.54 -0.12 -0.17 0.00 -0.64 0.00 0.00 41.12 40.73 1gru n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1gru s VAL 59 N -1.69 1.37 0.27 2.53 -7.23 -1.26 -5.12 120.40 109.27 1gru s VAL 59 Ca 0.00 -0.53 -0.20 0.00 -1.81 0.00 0.00 61.98 59.43 1gru s VAL 59 Cb 0.00 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 1gru s VAL 59 CO 0.00 0.42 0.79 -1.59 -0.31 0.00 0.00 175.10 174.41 1gru s LYS 60 N 1.33 4.29 -0.26 4.82 -2.85 -1.26 -4.94 119.74 120.86 1gru s LYS 60 Ca -0.00 0.95 -0.33 0.00 -1.00 0.00 0.00 55.97 55.59 1gru s LYS 60 Cb -0.14 -2.76 -0.09 0.00 -2.06 0.00 0.00 37.83 32.78 1gru s LYS 60 CO -0.06 0.31 2.14 0.28 0.10 0.00 0.00 175.35 178.13 1gru n VAL 61 N 0.47 0.31 0.00 1.79 0.31 -1.26 -2.00 118.33 117.95 1gru n VAL 61 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1gru n VAL 61 Cb 0.51 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1gru n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gru n GLY 62 N 5.91 1.32 3.37 2.92 0.00 -0.86 -4.97 105.19 112.88 1gru n GLY 62 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1gru n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gru n ASP 63 N 0.00 -2.00 -4.62 1.61 8.00 -0.85 -4.15 116.55 114.54 1gru n ASP 63 Ca 0.00 0.81 -0.38 0.00 0.71 0.00 0.00 54.79 55.93 1gru n ASP 63 Cb 0.00 -1.00 -0.10 0.00 -0.02 0.00 0.00 41.12 40.00 1gru n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gru s ILE 64 N -1.66 5.30 0.29 0.53 1.01 -1.26 -1.05 121.20 124.36 1gru s ILE 64 Ca 0.62 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.57 1gru s ILE 64 Cb -0.57 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1gru s ILE 64 CO 0.60 0.27 0.19 0.68 0.00 0.00 0.00 174.94 176.69 1gru s VAL 65 N 1.50 0.15 -0.07 2.92 -7.23 -0.03 -1.05 120.40 116.59 1gru s VAL 65 Ca 0.09 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1gru s VAL 65 Cb -0.15 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.30 1gru s VAL 65 CO 0.08 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.08 1gru s ILE 66 N -3.68 1.42 0.27 -0.62 1.01 -0.54 -1.23 121.20 117.83 1gru s ILE 66 Ca 0.38 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1gru s ILE 66 Cb 0.05 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1gru s ILE 66 CO 0.19 0.42 0.09 0.72 0.00 0.00 0.00 174.94 176.36 1gru s PHE 67 N 0.48 1.59 -0.51 3.97 -0.12 -1.12 -1.21 117.98 121.06 1gru s PHE 67 Ca -0.14 -1.16 -0.14 0.00 -0.05 0.00 0.00 56.93 55.44 1gru s PHE 67 Cb -0.16 -0.94 0.12 0.00 -0.63 0.00 0.00 43.02 41.41 1gru s PHE 67 CO 0.05 -0.30 0.44 1.21 -0.05 0.00 0.00 175.22 176.57 1gru s ASN 68 N -3.33 6.05 -1.00 1.98 3.84 -0.69 -4.87 114.94 116.92 1gru s ASN 68 Ca 0.38 -1.74 -0.25 0.00 0.21 0.00 0.00 52.86 51.45 1gru s ASN 68 Cb 0.08 -2.15 -0.19 0.00 -0.55 0.00 0.00 41.25 38.44 1gru s ASN 68 CO 0.14 -0.78 1.98 -0.67 -2.79 0.00 0.00 177.10 174.98 1gru n ASP 69 N 5.15 2.06 -0.88 -4.21 -0.08 -1.26 -4.84 116.55 112.49 1gru n ASP 69 Ca -0.12 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.57 1gru n ASP 69 Cb 0.41 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.30 1gru n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gru n GLY 70 N 5.76 1.27 0.23 0.27 0.00 -1.26 -4.96 105.19 106.50 1gru n GLY 70 Ca 0.44 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1gru n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gru h TYR 71 N 0.00 -0.48 -0.72 1.61 3.20 -2.03 -3.05 116.97 115.50 1gru h TYR 71 Ca 0.00 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.07 1gru h TYR 71 Cb 0.00 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1gru h TYR 71 CO 0.00 -0.15 1.13 0.78 -1.64 0.00 0.00 178.16 178.28 1gru h GLY 72 N -0.84 0.00 -4.06 1.82 0.00 -1.94 -3.39 103.07 94.65 1gru h GLY 72 Ca -0.05 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.76 1gru h GLY 72 CO 0.09 0.00 0.48 0.14 0.00 0.00 0.00 176.54 177.25 1gru s VAL 73 N -4.32 3.83 0.36 4.60 1.01 -1.15 -4.61 120.40 120.13 1gru s VAL 73 Ca -0.02 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.59 1gru s VAL 73 Cb 0.10 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1gru s VAL 73 CO 0.34 0.28 0.09 -0.54 0.00 0.00 0.00 175.10 175.27 1gru s LYS 74 N -0.43 1.78 0.05 2.72 -0.14 -1.10 -4.95 119.74 117.68 1gru s LYS 74 Ca 0.49 -2.04 0.03 0.00 -1.36 0.00 0.00 55.97 53.09 1gru s LYS 74 Cb -0.30 -0.72 -0.03 0.00 -1.68 0.00 0.00 37.83 35.10 1gru s LYS 74 CO 0.35 -0.34 -0.09 0.45 -0.76 0.00 0.00 175.35 174.96 1gru s SER 75 N -3.54 1.07 0.28 2.83 0.15 -1.26 -2.29 113.70 110.94 1gru s SER 75 Ca 0.30 -0.60 -0.10 0.00 0.70 0.00 0.00 55.95 56.24 1gru s SER 75 Cb 0.06 0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1gru s SER 75 CO 0.14 -0.20 0.48 -1.61 1.20 0.00 0.00 173.24 173.26 1gru s GLU 76 N -1.81 1.66 -0.27 5.44 0.41 -0.72 -4.98 118.70 118.44 1gru s GLU 76 Ca -0.06 -1.39 0.02 0.00 -0.41 0.00 0.00 54.97 53.12 1gru s GLU 76 Cb -0.09 0.47 0.07 0.00 -1.78 0.00 0.00 34.13 32.80 1gru s GLU 76 CO 0.00 -0.69 -0.04 0.21 -0.49 0.00 0.00 175.26 174.25 1gru s LYS 77 N -3.69 1.71 -0.23 1.61 2.47 -1.25 -1.77 119.74 118.59 1gru s LYS 77 Ca 0.24 -1.31 -0.04 0.00 -1.56 0.00 0.00 55.97 53.31 1gru s LYS 77 Cb -0.01 -2.77 -0.01 0.00 -1.46 0.00 0.00 37.83 33.59 1gru s LYS 77 CO 0.12 -0.70 -0.02 0.42 0.16 0.00 0.00 175.35 175.33 1gru s ILE 78 N 1.21 3.48 -1.84 5.43 1.09 -0.60 -4.33 121.20 125.64 1gru s ILE 78 Ca -0.02 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 1gru s ILE 78 Cb -0.19 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.58 1gru s ILE 78 CO -0.08 0.36 0.00 0.47 -0.10 0.00 0.00 174.94 175.60 1gru n ASP 79 N 4.81 -5.15 -1.26 3.58 8.00 -1.26 -2.07 116.55 123.19 1gru n ASP 79 Ca -0.17 0.38 -0.04 0.00 0.71 0.00 0.00 54.79 55.66 1gru n ASP 79 Cb 0.50 -4.22 0.02 0.00 -0.02 0.00 0.00 41.12 37.40 1gru n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1gru n ASN 80 N -0.95 -2.54 -4.10 -2.24 2.85 -1.26 -5.08 115.26 101.94 1gru n ASN 80 Ca -0.18 -0.11 -0.15 0.00 -0.11 0.00 0.00 54.58 54.02 1gru n ASN 80 Cb 0.60 -1.41 -0.12 0.00 1.24 0.00 0.00 39.78 40.09 1gru n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1gru s GLU 81 N -4.88 0.64 0.00 1.20 8.01 -0.88 -5.08 118.70 117.72 1gru s GLU 81 Ca 0.07 -0.80 -0.30 0.00 0.01 0.00 0.00 54.97 53.95 1gru s GLU 81 Cb -0.03 -0.51 -0.03 0.00 -4.31 0.00 0.00 34.13 29.25 1gru s GLU 81 CO 0.15 0.11 1.02 -1.21 0.01 0.00 0.00 175.26 175.33 1gru s GLU 82 N -1.55 4.53 0.02 1.61 0.41 -1.26 -1.56 118.70 120.91 1gru s GLU 82 Ca -0.06 1.47 0.01 0.00 -0.41 0.00 0.00 54.97 55.98 1gru s GLU 82 Cb -0.10 -3.45 -0.02 0.00 -1.78 0.00 0.00 34.13 28.79 1gru s GLU 82 CO 0.01 -0.10 -0.04 0.14 -0.49 0.00 0.00 175.26 174.78 1gru s VAL 83 N 1.09 0.24 0.15 2.63 -7.23 -0.73 -4.75 120.40 111.81 1gru s VAL 83 Ca 0.53 -0.84 0.09 0.00 -1.81 0.00 0.00 61.98 59.95 1gru s VAL 83 Cb -0.22 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1gru s VAL 83 CO 0.28 -0.39 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.80 1gru s LEU 84 N -1.29 2.89 -0.14 1.32 1.02 0.17 -1.75 118.68 120.90 1gru s LEU 84 Ca -0.12 -0.55 -0.03 0.00 0.02 0.00 0.00 54.13 53.45 1gru s LEU 84 Cb -0.09 -1.64 0.05 0.00 0.02 0.00 0.00 46.19 44.53 1gru s LEU 84 CO -0.00 0.14 0.03 -0.63 0.02 0.00 0.00 176.35 175.91 1gru s ILE 85 N -1.47 0.34 0.30 -0.59 1.01 -0.97 -0.20 121.20 119.61 1gru s ILE 85 Ca 0.22 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.73 1gru s ILE 85 Cb -0.10 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1gru s ILE 85 CO 0.13 -0.04 0.22 1.15 0.00 0.00 0.00 174.94 176.40 1gru n MET 86 N 5.14 0.40 -3.64 2.79 0.00 -0.88 -2.72 117.12 118.20 1gru n MET 86 Ca -0.08 -2.86 -0.22 0.00 0.00 0.00 0.00 57.70 54.55 1gru n MET 86 Cb 0.49 2.18 -0.01 0.00 0.00 0.00 0.00 33.22 35.87 1gru n MET 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1gru s SER 87 N -3.01 6.26 0.55 3.17 1.04 -1.26 0.14 113.70 120.59 1gru s SER 87 Ca 0.31 0.22 0.32 0.00 0.48 0.00 0.00 55.95 57.28 1gru s SER 87 Cb 0.01 -1.87 1.48 0.00 0.10 0.00 0.00 66.02 65.74 1gru s SER 87 CO 0.22 -0.22 1.85 -0.08 0.98 0.00 0.00 173.24 175.99 1gru h GLU 88 N 0.94 0.00 -0.35 4.02 4.81 -1.79 -2.07 114.58 120.14 1gru h GLU 88 Ca -0.50 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1gru h GLU 88 Cb 1.23 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 1gru h GLU 88 CO 0.60 0.00 -0.21 0.77 -0.73 0.00 0.00 179.01 179.44 1gru h SER 89 N 0.00 -0.77 -0.45 1.04 0.02 -1.91 0.92 113.55 112.39 1gru h SER 89 Ca 0.42 0.12 0.13 0.00 -0.84 0.00 0.00 61.79 61.62 1gru h SER 89 Cb 1.80 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 64.66 1gru h SER 89 CO -0.00 -0.09 0.45 0.44 -1.14 0.00 0.00 176.83 176.49 1gru h ASP 90 N -0.01 0.00 -3.07 3.07 3.32 -1.72 -3.41 116.42 114.60 1gru h ASP 90 Ca 0.06 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.57 1gru h ASP 90 Cb 0.15 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.71 1gru h ASP 90 CO -0.33 0.00 0.67 -0.63 -1.72 0.00 0.00 179.24 177.23 1gru s ILE 91 N -4.66 3.75 -0.27 0.35 1.01 0.31 -1.71 121.20 119.99 1gru s ILE 91 Ca -0.04 1.23 -0.10 0.00 0.00 0.00 0.00 60.65 61.74 1gru s ILE 91 Cb 0.16 -3.79 -0.13 0.00 0.01 0.00 0.00 42.46 38.71 1gru s ILE 91 CO 0.57 0.07 -0.33 0.18 0.00 0.00 0.00 174.94 175.44 1gru n LEU 92 N 4.26 2.21 -4.00 2.97 4.77 -0.35 -4.97 117.00 121.90 1gru n LEU 92 Ca 0.11 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1gru n LEU 92 Cb 0.45 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1gru n LEU 92 CO 0.57 0.67 0.23 0.00 -1.33 0.00 0.00 177.39 177.53 1gru s ALA 93 N -2.51 0.07 -0.10 -1.18 0.00 -1.09 -5.03 121.76 111.93 1gru s ALA 93 Ca -0.38 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1gru s ALA 93 Cb 0.13 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.30 1gru s ALA 93 CO 0.52 -0.86 -0.11 0.42 0.00 0.00 0.00 175.76 175.73 1gru s ILE 94 N -3.30 1.16 -0.02 0.00 1.01 -1.26 -1.46 121.20 117.33 1gru s ILE 94 Ca 0.24 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1gru s ILE 94 Cb -0.01 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 1gru s ILE 94 CO 0.14 0.38 1.11 -0.69 0.00 0.00 0.00 174.94 175.88 1gru s VAL 95 N 1.23 4.45 0.00 2.92 1.01 -0.21 -4.98 120.40 124.82 1gru s VAL 95 Ca -0.03 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1gru s VAL 95 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1gru s VAL 95 CO -0.03 0.08 0.00 -0.62 0.00 0.00 0.00 175.10 174.52 1gru n GLU 96 N 4.46 2.55 0.00 2.72 1.02 -1.26 -4.50 120.64 125.63 1gru n GLU 96 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1gru n GLU 96 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1gru n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31