#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 4.64 0.52 6.12 4.22 -1.26 -4.73 114.94 124.46 1gru s ASN 2 Ca 0.00 -0.75 0.01 0.00 -2.14 0.00 0.00 52.86 49.98 1gru s ASN 2 Cb 0.00 -0.75 0.02 0.00 1.28 0.00 0.00 41.25 41.80 1gru s ASN 2 CO 0.00 -0.24 0.75 0.27 -2.04 0.00 0.00 177.10 175.84 1gru s ILE 3 N -2.41 3.04 -0.17 0.54 -5.25 -1.26 -5.12 121.20 110.58 1gru s ILE 3 Ca 0.36 -0.62 -0.04 0.00 -0.99 0.00 0.00 60.65 59.36 1gru s ILE 3 Cb -0.03 -3.13 0.06 0.00 2.95 0.00 0.00 42.46 42.30 1gru s ILE 3 CO 0.22 -0.09 0.07 -0.60 -1.79 0.00 0.00 174.94 172.75 1gru s ARG 4 N -4.70 0.25 1.25 0.37 6.06 -1.26 -5.03 118.95 115.88 1gru s ARG 4 Ca 0.55 -0.16 -0.17 0.00 -2.50 0.00 0.00 55.73 53.45 1gru s ARG 4 Cb -0.10 -1.84 0.28 0.00 0.06 0.00 0.00 34.95 33.34 1gru s ARG 4 CO 0.38 -0.64 0.71 -0.35 -2.50 0.00 0.00 175.30 172.90 1gru n PRO 5 N 5.21 -3.03 -3.68 5.12 -0.04 -1.26 -4.98 135.00 132.33 1gru n PRO 5 Ca -0.07 -0.88 -0.28 0.00 -0.04 0.00 0.00 63.50 62.23 1gru n PRO 5 Cb 0.48 -1.94 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 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 -4.24 1.76 -1.55 1.53 -0.00 -1.26 -4.78 117.00 108.45 1gru n LEU 6 Ca 0.05 -4.92 0.00 0.00 -0.00 0.00 0.00 56.01 51.14 1gru n LEU 6 Cb 0.56 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1gru n LEU 6 CO 0.49 1.82 -0.05 0.00 -0.00 0.00 0.00 177.39 179.64 1gru n HIS 7 N 2.20 -0.53 0.00 1.96 1.44 -1.26 -3.95 115.22 115.08 1gru n HIS 7 Ca 0.24 0.29 0.00 0.00 -2.01 0.00 0.00 57.72 56.24 1gru n HIS 7 Cb 0.40 -0.84 0.00 0.00 0.12 0.00 0.00 29.99 29.67 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 0.85 0.00 -4.66 4.39 2.03 -1.26 -4.76 116.55 113.13 1gru n ASP 8 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1gru n ASP 8 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 4.24 -0.10 -0.67 1.81 -1.25 -1.43 118.95 121.55 1gru s ARG 9 Ca 0.00 1.69 0.00 0.00 -1.72 0.00 0.00 55.73 55.70 1gru s ARG 9 Cb 0.00 -3.76 -0.02 0.00 -0.45 0.00 0.00 34.95 30.72 1gru s ARG 9 CO 0.00 -0.69 -0.10 0.08 -0.68 0.00 0.00 175.30 173.91 1gru s VAL 10 N 3.42 3.40 -0.27 3.52 1.01 0.38 -2.34 120.40 129.53 1gru s VAL 10 Ca 0.56 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1gru s VAL 10 Cb -0.22 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1gru s VAL 10 CO 0.16 0.55 0.19 -0.63 0.00 0.00 0.00 175.10 175.37 1gru s ILE 11 N -0.22 5.32 0.36 2.22 1.01 -1.01 -2.19 121.20 126.69 1gru s ILE 11 Ca 0.02 0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1gru s ILE 11 Cb -0.13 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1gru s ILE 11 CO 0.03 0.28 0.20 0.68 0.00 0.00 0.00 174.94 176.12 1gru s VAL 12 N 1.55 0.28 -0.03 2.92 -7.23 -0.15 -0.54 120.40 117.20 1gru s VAL 12 Ca 0.08 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1gru s VAL 12 Cb -0.15 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1gru s VAL 12 CO 0.09 0.00 0.04 -1.59 -0.31 0.00 0.00 175.10 173.33 1gru s LYS 13 N -3.60 0.04 1.29 4.82 -2.85 -0.97 -0.05 119.74 118.42 1gru s LYS 13 Ca 0.32 0.26 -0.21 0.00 -1.00 0.00 0.00 55.97 55.33 1gru s LYS 13 Cb 0.03 -0.46 0.33 0.00 -2.06 0.00 0.00 37.83 35.67 1gru s LYS 13 CO 0.21 -0.25 0.80 -2.13 0.10 0.00 0.00 175.35 174.08 1gru n ARG 14 N 4.78 -4.38 -1.31 1.78 0.63 -1.26 -1.20 116.66 115.70 1gru n ARG 14 Ca -0.14 -1.34 0.00 0.00 -0.92 0.00 0.00 57.85 55.45 1gru n ARG 14 Cb 0.50 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.75 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 -5.30 1.20 -1.65 -0.14 5.02 -0.26 -4.72 118.16 112.30 1gru n LYS 15 Ca 0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1gru n LYS 15 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 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 -0.97 3.12 0.07 1.97 0.41 -1.26 -4.69 118.70 117.35 1gru s GLU 16 Ca 0.00 1.93 -0.31 0.00 -0.41 0.00 0.00 54.97 56.19 1gru s GLU 16 Cb 0.00 -4.36 -0.08 0.00 -1.78 0.00 0.00 34.13 27.91 1gru s GLU 16 CO 0.00 -2.12 1.66 0.08 -0.49 0.00 0.00 175.26 174.39 1gru s VAL 17 N 8.27 3.03 -0.93 2.63 1.01 -1.26 -3.59 120.40 129.55 1gru s VAL 17 Ca 0.98 0.48 -0.26 0.00 0.00 0.00 0.00 61.98 63.18 1gru s VAL 17 Cb -0.31 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.80 1gru s VAL 17 CO 0.35 -0.00 0.53 -0.62 0.00 0.00 0.00 175.10 175.35 1gru n GLU 18 N 5.63 -0.44 -1.99 2.72 1.02 -1.25 -4.83 120.64 121.49 1gru n GLU 18 Ca 0.16 -0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.88 1gru n GLU 18 Cb 0.40 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 -3.75 2.45 -0.65 2.62 2.01 -1.24 -4.62 115.64 112.46 1gru s THR 19 Ca 0.36 0.44 -0.27 0.00 0.31 0.00 0.00 61.69 62.53 1gru s THR 19 Cb -0.20 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1gru s THR 19 CO 0.77 0.10 1.56 -0.54 -0.69 0.00 0.00 174.62 175.81 1gru s LYS 20 N -2.02 2.97 0.00 4.92 3.01 -1.26 -4.20 119.74 123.15 1gru s LYS 20 Ca 0.52 0.26 0.00 0.00 -1.01 0.00 0.00 55.97 55.75 1gru s LYS 20 Cb -0.42 -4.26 0.00 0.00 -1.01 0.00 0.00 37.83 32.14 1gru s LYS 20 CO 0.55 -2.36 0.00 -1.13 0.51 0.00 0.00 175.35 172.92 1gru n SER 21 N 10.88 0.00 -4.54 2.83 3.41 -1.22 -4.73 113.62 120.25 1gru n SER 21 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.44 1gru n SER 21 Cb 0.50 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.00 0.00 7.33 0.00 -1.23 -2.56 121.76 125.30 1gru s ALA 22 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1gru s ALA 22 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1gru s ALA 22 CO 0.00 -3.56 0.00 0.41 0.00 0.00 0.00 175.76 172.61 1gru n GLY 23 N 0.50 0.11 4.79 0.00 0.00 -1.26 -3.54 105.19 105.78 1gru n GLY 23 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.23 1.54 0.21 -0.02 0.00 -1.06 -3.79 105.19 101.83 1gru n GLY 24 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 1.26 -2.08 -0.61 2.04 -1.79 -3.43 117.51 112.90 1gru h ILE 25 Ca 0.00 -1.26 -0.61 0.00 1.00 0.00 0.00 64.86 63.99 1gru h ILE 25 Cb 0.00 1.55 0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1gru h ILE 25 CO 0.00 0.38 0.69 0.52 0.00 0.00 0.00 178.15 179.73 1gru n VAL 26 N -4.11 0.00 -3.18 1.67 0.31 -1.23 -4.91 118.33 106.88 1gru n VAL 26 Ca -0.01 -0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.86 1gru n VAL 26 Cb 0.40 -1.30 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 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 0.79 6.12 -0.32 7.52 0.20 -1.26 -3.38 118.68 128.35 1gru s LEU 27 Ca 0.81 -2.54 -0.28 0.00 0.69 0.00 0.00 54.13 52.81 1gru s LEU 27 Cb -0.77 -2.28 -0.04 0.00 -0.43 0.00 0.00 46.19 42.67 1gru s LEU 27 CO 0.41 -0.72 2.05 0.28 -0.29 0.00 0.00 176.35 178.08 1gru s THR 28 N 0.96 3.22 0.83 3.68 -1.32 -1.26 -4.92 115.64 116.83 1gru s THR 28 Ca 0.24 0.21 -0.10 0.00 -1.21 0.00 0.00 61.69 60.83 1gru s THR 28 Cb -0.08 -3.32 0.09 0.00 -1.51 0.00 0.00 72.50 67.68 1gru s THR 28 CO -0.09 -0.23 1.10 -0.83 -2.21 0.00 0.00 174.62 172.37 1gru s GLY 29 N 7.85 1.67 -0.82 6.08 0.00 -1.26 -4.17 107.32 116.68 1gru s GLY 29 Ca 0.90 0.32 -0.25 0.00 0.00 0.00 0.00 44.72 45.68 1gru s GLY 29 CO 0.33 0.70 1.56 -0.45 0.00 0.00 0.00 173.10 175.23 1gru s SER 30 N -3.19 5.90 -0.09 1.64 0.15 -1.26 -4.86 113.70 111.99 1gru s SER 30 Ca 0.63 -0.60 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 1gru s SER 30 Cb -0.19 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.62 1gru s SER 30 CO 0.57 -2.01 2.03 0.00 1.20 0.00 0.00 173.24 175.03 1gru n ALA 31 N 10.70 4.34 -2.76 5.45 0.00 -1.26 -4.71 120.51 132.27 1gru n ALA 31 Ca 0.21 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 1gru n ALA 31 Cb 0.50 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 1.20 -0.32 -2.74 0.00 0.00 -1.26 -5.08 120.51 112.31 1gru n ALA 32 Ca 0.09 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 1gru n ALA 32 Cb 0.53 -1.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 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 -3.08 4.02 0.00 0.00 0.00 -1.26 -5.18 121.76 116.27 1gru s ALA 33 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1gru s ALA 33 Cb -0.06 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1gru s ALA 33 CO 0.18 -0.07 0.00 1.17 0.00 0.00 0.00 175.76 177.04 1gru n LYS 34 N -1.24 1.47 -4.82 0.00 3.00 -1.26 -4.76 118.16 110.55 1gru n LYS 34 Ca -0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.87 1gru n LYS 34 Cb 0.67 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.54 1gru n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1gru s SER 35 N 0.64 2.18 0.00 3.14 0.15 -1.26 -3.95 113.70 114.60 1gru s SER 35 Ca 0.00 -0.37 0.15 0.00 0.70 0.00 0.00 55.95 56.43 1gru s SER 35 Cb 0.00 -0.23 -0.16 0.00 -1.71 0.00 0.00 66.02 63.92 1gru s SER 35 CO 0.00 0.21 0.65 0.35 1.20 0.00 0.00 173.24 175.65 1gru n THR 36 N 2.46 0.00 -3.25 6.45 -2.24 -1.26 -4.81 114.28 111.63 1gru n THR 36 Ca -0.15 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 1gru n THR 36 Cb 0.54 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.43 4.11 0.31 -0.78 3.00 -1.26 -2.42 118.95 119.48 1gru s ARG 37 Ca 0.06 0.67 -0.13 0.00 0.00 0.00 0.00 55.73 56.33 1gru s ARG 37 Cb 0.12 -2.96 0.02 0.00 0.00 0.00 0.00 34.95 32.12 1gru s ARG 37 CO 0.62 0.47 0.60 0.20 0.00 0.00 0.00 175.30 177.20 1gru s GLY 38 N -1.61 0.59 -0.07 -3.53 0.00 -0.63 -1.11 107.32 100.97 1gru s GLY 38 Ca 0.38 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1gru s GLY 38 CO 0.20 -0.53 -0.20 1.85 0.00 0.00 0.00 173.10 174.42 1gru s GLU 39 N -3.35 2.71 0.39 2.90 2.12 -0.34 -1.33 118.70 121.80 1gru s GLU 39 Ca 0.20 -0.81 -0.26 0.00 0.36 0.00 0.00 54.97 54.46 1gru s GLU 39 Cb -0.03 -2.31 -0.09 0.00 0.26 0.00 0.00 34.13 31.96 1gru s GLU 39 CO 0.12 0.41 1.28 0.08 -0.54 0.00 0.00 175.26 176.61 1gru s VAL 40 N -0.21 2.74 0.04 3.70 1.01 0.54 -2.28 120.40 125.94 1gru s VAL 40 Ca -0.01 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1gru s VAL 40 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1gru s VAL 40 CO 0.03 0.11 0.00 0.18 0.00 0.00 0.00 175.10 175.42 1gru n LEU 41 N 0.25 0.10 -4.25 3.92 4.77 0.30 -2.13 117.00 119.97 1gru n LEU 41 Ca 0.03 0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 1gru n LEU 41 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1gru n LEU 41 CO 0.55 -0.33 -0.45 0.00 -1.33 0.00 0.00 177.39 175.84 1gru s ALA 42 N -2.00 1.52 -0.06 -1.18 0.00 -0.99 -4.71 121.76 114.34 1gru s ALA 42 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1gru s ALA 42 Cb 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1gru s ALA 42 CO 0.00 0.08 -0.04 0.08 0.00 0.00 0.00 175.76 175.88 1gru s VAL 43 N -2.28 0.61 0.67 0.00 1.01 -1.26 -2.41 120.40 116.74 1gru s VAL 43 Ca 0.10 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1gru s VAL 43 Cb -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1gru s VAL 43 CO 0.03 0.27 1.11 -0.83 0.00 0.00 0.00 175.10 175.68 1gru s GLY 44 N 1.31 2.11 0.02 4.51 0.00 -0.99 -4.77 107.32 109.52 1gru s GLY 44 Ca -0.05 0.52 -0.05 0.00 0.00 0.00 0.00 44.72 45.15 1gru s GLY 44 CO -0.02 0.88 1.08 3.43 0.00 0.00 0.00 173.10 178.46 1gru h ASN 45 N -0.07 -0.31 0.00 1.64 2.35 -1.87 -3.37 115.58 113.94 1gru h ASN 45 Ca -0.46 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1gru h ASN 45 Cb 1.25 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1gru h ASN 45 CO 0.54 -0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 1gru n GLY 46 N -1.04 1.98 3.46 2.83 0.00 -1.26 -3.86 105.19 107.30 1gru n GLY 46 Ca 0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.47 0.27 -0.00 1.61 0.63 -0.08 -4.11 116.66 114.51 1gru n ARG 47 Ca 0.00 0.13 0.02 0.00 -0.92 0.00 0.00 57.85 57.08 1gru n ARG 47 Cb 0.00 -1.83 -0.03 0.00 0.45 0.00 0.00 32.46 31.05 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 -2.44 0.00 -0.67 5.15 5.41 -1.26 -2.13 119.36 123.42 1gru n ILE 48 Ca 0.10 -0.33 -0.23 0.00 1.00 0.00 0.00 62.75 63.28 1gru n ILE 48 Cb 0.50 0.88 0.02 0.00 -0.71 0.00 0.00 39.64 40.33 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 -1.22 -3.62 -1.57 1.39 4.77 -1.26 -3.00 117.00 112.48 1gru n LEU 49 Ca 0.01 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.98 1gru n LEU 49 Cb 0.08 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 1gru n LEU 49 CO 0.09 -3.75 -0.17 1.21 -1.33 0.00 0.00 177.39 173.44 1gru n GLU 50 N 1.49 -1.42 0.00 3.23 2.13 -1.26 -4.48 120.64 120.34 1gru n GLU 50 Ca -0.00 1.05 0.00 0.00 0.66 0.00 0.00 57.16 58.87 1gru n GLU 50 Cb 0.35 -5.40 0.00 0.00 0.27 0.00 0.00 31.44 26.66 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 -1.09 0.00 -4.52 4.31 5.15 -1.16 -4.79 115.26 113.16 1gru n ASN 51 Ca -0.18 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.42 1gru n ASN 51 Cb 0.59 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.72 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 -0.30 7.00 8.20 0.00 -1.26 -4.59 105.19 114.24 1gru n GLY 52 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 8.44 0.00 -3.24 1.61 4.71 -1.26 -4.84 120.64 126.06 1gru n GLU 53 Ca 0.58 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.56 1gru n GLU 53 Cb 0.19 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.56 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 0.00 -0.28 -0.17 2.62 1.01 -1.26 -4.77 120.40 117.55 1gru s VAL 54 Ca 0.00 -1.50 -0.38 0.00 0.00 0.00 0.00 61.98 60.10 1gru s VAL 54 Cb 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 36.38 35.54 1gru s VAL 54 CO 0.00 -0.65 1.69 2.29 0.00 0.00 0.00 175.10 178.42 1gru n LYS 55 N 3.51 1.35 -0.70 2.72 0.00 -0.90 -4.65 118.16 119.49 1gru n LYS 55 Ca 0.19 0.49 -0.28 0.00 -0.00 0.00 0.00 58.31 58.71 1gru n LYS 55 Cb 0.48 -2.20 0.23 0.00 -0.00 0.00 0.00 35.03 33.55 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 2.98 -0.59 -0.09 -1.58 0.04 -1.26 -0.91 135.00 133.58 1gru s PRO 56 Ca 0.94 0.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1gru s PRO 56 Cb -0.98 -1.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1gru s PRO 56 CO 0.59 -3.49 0.23 -0.51 0.04 0.00 0.00 177.00 173.86 1gru s LEU 57 N -7.03 4.40 -0.03 -3.56 1.43 -1.25 -4.70 118.68 107.93 1gru s LEU 57 Ca 0.68 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1gru s LEU 57 Cb -0.23 -2.24 0.07 0.00 0.03 0.00 0.00 46.19 43.82 1gru s LEU 57 CO 0.63 0.36 0.86 0.47 0.23 0.00 0.00 176.35 178.90 1gru n ASP 58 N 2.05 2.28 -3.70 2.29 9.92 -1.26 -4.71 116.55 123.40 1gru n ASP 58 Ca -0.18 -2.13 -0.27 0.00 -0.53 0.00 0.00 54.79 51.68 1gru n ASP 58 Cb 0.54 -0.53 -0.17 0.00 -0.64 0.00 0.00 41.12 40.33 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 -0.75 0.39 0.33 2.53 -7.23 -1.26 -5.13 120.40 109.28 1gru s VAL 59 Ca 0.06 -0.49 -0.27 0.00 -1.81 0.00 0.00 61.98 59.46 1gru s VAL 59 Cb 0.04 -0.94 -0.09 0.00 0.56 0.00 0.00 36.38 35.95 1gru s VAL 59 CO 0.01 -0.24 1.08 -1.59 -0.31 0.00 0.00 175.10 174.05 1gru s LYS 60 N 1.92 4.42 -0.31 4.82 -2.85 -1.26 -4.90 119.74 121.58 1gru s LYS 60 Ca -0.00 1.69 -0.34 0.00 -1.00 0.00 0.00 55.97 56.32 1gru s LYS 60 Cb -0.17 -2.91 -0.10 0.00 -2.06 0.00 0.00 37.83 32.58 1gru s LYS 60 CO -0.09 0.05 2.18 0.28 0.10 0.00 0.00 175.35 177.86 1gru n VAL 61 N 0.65 0.23 0.00 1.79 0.31 -1.26 -1.50 118.33 118.54 1gru n VAL 61 Ca 0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1gru n VAL 61 Cb 0.47 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 6.30 1.53 3.69 2.92 0.00 -0.91 -4.93 105.19 113.80 1gru n GLY 62 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 1.99 -4.66 1.61 8.00 -0.57 -4.38 116.55 118.55 1gru n ASP 63 Ca 0.00 0.94 -0.38 0.00 0.71 0.00 0.00 54.79 56.05 1gru n ASP 63 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 39.53 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 -1.35 5.18 0.14 0.53 1.01 -1.26 -0.34 121.20 125.12 1gru s ILE 64 Ca 0.72 0.74 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 1gru s ILE 64 Cb -0.43 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1gru s ILE 64 CO 0.49 0.23 0.10 0.68 0.00 0.00 0.00 174.94 176.44 1gru s VAL 65 N 1.41 0.09 -0.10 2.92 -7.23 -0.44 -1.01 120.40 116.04 1gru s VAL 65 Ca 0.20 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1gru s VAL 65 Cb -0.15 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 1gru s VAL 65 CO 0.08 -0.41 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.65 1gru s ILE 66 N -4.04 2.61 0.26 -0.62 1.01 -1.04 -1.60 121.20 117.77 1gru s ILE 66 Ca 0.24 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1gru s ILE 66 Cb 0.07 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1gru s ILE 66 CO 0.02 0.55 0.12 0.72 0.00 0.00 0.00 174.94 176.35 1gru s PHE 67 N 0.12 1.47 -0.43 3.97 -0.12 -1.02 -0.47 117.98 121.50 1gru s PHE 67 Ca -0.09 -1.26 -0.12 0.00 -0.05 0.00 0.00 56.93 55.41 1gru s PHE 67 Cb -0.15 -0.82 0.07 0.00 -0.63 0.00 0.00 43.02 41.49 1gru s PHE 67 CO 0.06 -0.44 0.30 1.21 -0.05 0.00 0.00 175.22 176.29 1gru s ASN 68 N -3.29 5.82 -0.62 1.98 3.84 -0.95 -4.84 114.94 116.88 1gru s ASN 68 Ca 0.38 -1.39 -0.26 0.00 0.21 0.00 0.00 52.86 51.80 1gru s ASN 68 Cb 0.07 -2.06 -0.24 0.00 -0.55 0.00 0.00 41.25 38.47 1gru s ASN 68 CO 0.14 -0.56 1.84 -0.67 -2.79 0.00 0.00 177.10 175.07 1gru n ASP 69 N 5.02 1.86 -1.71 -4.21 -0.08 -1.26 -4.83 116.55 111.34 1gru n ASP 69 Ca -0.11 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.58 1gru n ASP 69 Cb 0.44 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.79 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 5.18 0.80 0.08 0.27 0.00 -1.26 -4.96 105.19 105.30 1gru n GLY 70 Ca 0.46 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 0.15 0.00 1.61 3.20 -2.02 -3.21 116.97 116.70 1gru h TYR 71 Ca 0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1gru h TYR 71 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1gru h TYR 71 CO 0.00 0.81 0.40 0.41 -1.64 0.00 0.00 178.16 178.14 1gru n GLY 72 N 0.85 -0.51 3.72 1.82 0.00 -1.26 -4.41 105.19 105.40 1gru n GLY 72 Ca -0.09 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1gru n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gru s VAL 73 N -3.20 4.95 0.38 1.61 1.01 -1.21 -4.33 120.40 119.60 1gru s VAL 73 Ca -0.01 1.58 0.05 0.00 0.00 0.00 0.00 61.98 63.60 1gru s VAL 73 Cb 0.03 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1gru s VAL 73 CO 0.09 0.26 0.04 -0.54 0.00 0.00 0.00 175.10 174.95 1gru s LYS 74 N 0.63 1.83 -0.04 2.72 -0.14 -1.07 -4.93 119.74 118.75 1gru s LYS 74 Ca 0.40 -2.04 0.05 0.00 -1.36 0.00 0.00 55.97 53.02 1gru s LYS 74 Cb -0.19 -1.24 -0.01 0.00 -1.68 0.00 0.00 37.83 34.72 1gru s LYS 74 CO 0.21 -0.15 -0.18 0.45 -0.76 0.00 0.00 175.35 174.93 1gru s SER 75 N -3.61 2.17 0.15 2.83 0.15 -1.26 -2.55 113.70 111.58 1gru s SER 75 Ca 0.34 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.61 1gru s SER 75 Cb 0.09 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.83 1gru s SER 75 CO 0.16 0.17 0.12 -1.61 1.20 0.00 0.00 173.24 173.28 1gru s GLU 76 N -0.06 1.01 -0.26 5.44 0.41 -0.79 -4.99 118.70 119.48 1gru s GLU 76 Ca -0.02 -1.40 -0.01 0.00 -0.41 0.00 0.00 54.97 53.13 1gru s GLU 76 Cb -0.11 0.28 0.04 0.00 -1.78 0.00 0.00 34.13 32.56 1gru s GLU 76 CO 0.02 -0.31 -0.07 0.21 -0.49 0.00 0.00 175.26 174.61 1gru s LYS 77 N -4.04 2.66 -0.24 1.61 2.47 -1.26 -1.72 119.74 119.21 1gru s LYS 77 Ca 0.24 -1.09 0.02 0.00 -1.56 0.00 0.00 55.97 53.58 1gru s LYS 77 Cb 0.06 -2.98 0.05 0.00 -1.46 0.00 0.00 37.83 33.50 1gru s LYS 77 CO 0.03 -0.46 -0.12 0.42 0.16 0.00 0.00 175.35 175.38 1gru s ILE 78 N 1.27 2.30 -1.62 5.43 1.09 -0.74 -4.54 121.20 124.39 1gru s ILE 78 Ca -0.02 -1.39 0.00 0.00 -1.10 0.00 0.00 60.65 58.14 1gru s ILE 78 Cb -0.18 -2.24 0.00 0.00 -1.06 0.00 0.00 42.46 38.98 1gru s ILE 78 CO -0.05 0.12 0.00 0.47 -0.10 0.00 0.00 174.94 175.39 1gru n ASP 79 N 4.52 -4.91 -1.16 3.58 8.00 -1.26 -2.65 116.55 122.66 1gru n ASP 79 Ca -0.16 0.38 -0.02 0.00 0.71 0.00 0.00 54.79 55.70 1gru n ASP 79 Cb 0.45 -3.75 0.01 0.00 -0.02 0.00 0.00 41.12 37.80 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 -0.55 -2.10 -3.97 -2.24 2.85 -1.26 -5.09 115.26 102.90 1gru n ASN 80 Ca -0.15 -0.06 -0.09 0.00 -0.11 0.00 0.00 54.58 54.16 1gru n ASN 80 Cb 0.51 -0.98 -0.10 0.00 1.24 0.00 0.00 39.78 40.46 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 -4.35 0.48 0.07 1.20 8.01 -1.09 -5.11 118.70 117.91 1gru s GLU 81 Ca 0.01 -0.74 -0.30 0.00 0.01 0.00 0.00 54.97 53.96 1gru s GLU 81 Cb -0.01 0.18 -0.05 0.00 -4.31 0.00 0.00 34.13 29.94 1gru s GLU 81 CO 0.08 -0.10 1.01 -1.21 0.01 0.00 0.00 175.26 175.05 1gru s GLU 82 N -2.25 4.60 0.03 1.61 0.41 -1.26 -1.79 118.70 120.05 1gru s GLU 82 Ca -0.08 1.51 0.01 0.00 -0.41 0.00 0.00 54.97 56.00 1gru s GLU 82 Cb -0.04 -3.39 -0.02 0.00 -1.78 0.00 0.00 34.13 28.90 1gru s GLU 82 CO -0.03 0.04 -0.06 0.14 -0.49 0.00 0.00 175.26 174.86 1gru s VAL 83 N 0.48 0.36 0.14 2.63 -7.23 -0.70 -4.74 120.40 111.34 1gru s VAL 83 Ca 0.50 -0.86 0.09 0.00 -1.81 0.00 0.00 61.98 59.91 1gru s VAL 83 Cb -0.24 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1gru s VAL 83 CO 0.30 -0.34 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.82 1gru s LEU 84 N -1.28 2.72 -0.19 1.32 1.02 0.92 -1.88 118.68 121.32 1gru s LEU 84 Ca -0.10 -0.61 -0.04 0.00 0.02 0.00 0.00 54.13 53.40 1gru s LEU 84 Cb -0.08 -1.51 0.06 0.00 0.02 0.00 0.00 46.19 44.68 1gru s LEU 84 CO -0.00 0.15 0.06 -0.63 0.02 0.00 0.00 176.35 175.96 1gru s ILE 85 N -1.35 0.23 0.19 -0.59 1.01 -1.06 -0.98 121.20 118.66 1gru s ILE 85 Ca 0.20 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1gru s ILE 85 Cb -0.10 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1gru s ILE 85 CO 0.11 -0.27 0.10 1.15 0.00 0.00 0.00 174.94 176.03 1gru n MET 86 N 5.16 0.57 -4.02 2.79 0.00 -0.93 -2.59 117.12 118.10 1gru n MET 86 Ca -0.08 -1.71 -0.22 0.00 0.00 0.00 0.00 57.70 55.69 1gru n MET 86 Cb 0.48 1.08 -0.03 0.00 0.00 0.00 0.00 33.22 34.75 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 -2.23 6.01 0.55 3.17 1.04 -1.26 0.14 113.70 121.13 1gru s SER 87 Ca 0.14 -0.04 0.41 0.00 0.48 0.00 0.00 55.95 56.94 1gru s SER 87 Cb 0.01 -1.69 1.61 0.00 0.10 0.00 0.00 66.02 66.04 1gru s SER 87 CO 0.10 -0.04 1.73 -0.08 0.98 0.00 0.00 173.24 175.92 1gru h GLU 88 N 1.43 0.01 -0.13 4.02 4.81 -1.62 -1.26 114.58 121.85 1gru h GLU 88 Ca -0.50 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1gru h GLU 88 Cb 1.23 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1gru h GLU 88 CO 0.62 0.00 -0.26 0.77 -0.73 0.00 0.00 179.01 179.42 1gru h SER 89 N 0.01 -0.84 -1.12 1.04 0.02 -1.92 -1.38 113.55 109.36 1gru h SER 89 Ca 0.69 0.10 0.31 0.00 -0.84 0.00 0.00 61.79 62.05 1gru h SER 89 Cb 2.75 0.33 -0.09 0.00 0.14 0.00 0.00 62.40 65.53 1gru h SER 89 CO -0.02 -0.20 0.74 0.44 -1.14 0.00 0.00 176.83 176.65 1gru h ASP 90 N -0.22 0.32 -3.14 3.07 3.32 -1.57 -3.40 116.42 114.79 1gru h ASP 90 Ca 0.02 0.07 -0.53 0.00 0.02 0.00 0.00 57.03 56.62 1gru h ASP 90 Cb 0.29 0.03 0.04 0.00 0.22 0.00 0.00 39.33 39.91 1gru h ASP 90 CO -0.24 0.03 0.77 -0.63 -1.72 0.00 0.00 179.24 177.44 1gru s ILE 91 N -5.34 2.87 -0.24 0.35 1.01 -0.52 -2.25 121.20 117.08 1gru s ILE 91 Ca -0.08 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1gru s ILE 91 Cb 0.25 -3.43 -0.15 0.00 0.01 0.00 0.00 42.46 39.14 1gru s ILE 91 CO 0.80 0.08 -0.21 0.18 0.00 0.00 0.00 174.94 175.79 1gru n LEU 92 N 3.21 2.94 0.00 2.97 4.77 0.38 -4.96 117.00 126.30 1gru n LEU 92 Ca 0.10 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1gru n LEU 92 Cb 0.41 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1gru n LEU 92 CO 0.60 0.89 0.00 0.00 -1.33 0.00 0.00 177.39 177.54 1gru n ALA 93 N -3.22 0.00 -3.74 -1.18 0.00 -1.05 -5.01 120.51 106.31 1gru n ALA 93 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 52.88 1gru n ALA 93 Cb 0.94 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.24 1gru n ALA 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gru s ILE 94 N -2.93 -0.07 0.01 0.00 1.01 -1.26 -2.51 121.20 115.45 1gru s ILE 94 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1gru s ILE 94 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 1gru s ILE 94 CO 0.00 0.08 1.04 -0.69 0.00 0.00 0.00 174.94 175.37 1gru s VAL 95 N 1.27 4.66 0.00 2.92 1.01 -0.18 -4.97 120.40 125.10 1gru s VAL 95 Ca -0.08 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1gru s VAL 95 Cb -0.12 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1gru s VAL 95 CO -0.06 0.15 0.00 -0.62 0.00 0.00 0.00 175.10 174.57 1gru n GLU 96 N 3.92 1.69 0.00 2.72 1.02 -1.26 -4.51 120.64 124.21 1gru n GLU 96 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1gru n GLU 96 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1gru n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31