#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 4.23 0.82 7.83 4.22 -1.26 -4.72 114.94 126.06 1gru s ASN 2 Ca 0.00 -0.70 -0.08 0.00 -2.14 0.00 0.00 52.86 49.94 1gru s ASN 2 Cb 0.00 -0.68 0.14 0.00 1.28 0.00 0.00 41.25 41.99 1gru s ASN 2 CO 0.00 0.05 1.13 0.27 -2.04 0.00 0.00 177.10 176.51 1gru s ILE 3 N -2.10 2.10 -0.25 0.54 -5.25 -1.26 -5.11 121.20 109.88 1gru s ILE 3 Ca 0.28 -0.29 -0.02 0.00 -0.99 0.00 0.00 60.65 59.63 1gru s ILE 3 Cb -0.07 -2.82 0.13 0.00 2.95 0.00 0.00 42.46 42.66 1gru s ILE 3 CO 0.17 0.00 0.36 -0.60 -1.79 0.00 0.00 174.94 173.08 1gru s ARG 4 N -5.47 0.34 0.95 0.37 6.06 -1.26 -5.06 118.95 114.88 1gru s ARG 4 Ca 0.68 0.43 -0.14 0.00 -2.50 0.00 0.00 55.73 54.20 1gru s ARG 4 Cb -0.06 -0.53 0.22 0.00 0.06 0.00 0.00 34.95 34.64 1gru s ARG 4 CO 0.48 -0.71 0.49 -0.35 -2.50 0.00 0.00 175.30 172.71 1gru n PRO 5 N 5.36 -2.43 -3.56 5.12 -0.04 -1.26 -4.99 135.00 133.20 1gru n PRO 5 Ca -0.03 -0.82 -0.27 0.00 -0.04 0.00 0.00 63.50 62.34 1gru n PRO 5 Cb 0.50 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.91 -1.52 1.53 -0.00 -1.26 -4.79 117.00 111.87 1gru n LEU 6 Ca 0.08 -4.72 0.00 0.00 -0.00 0.00 0.00 56.01 51.37 1gru n LEU 6 Cb 0.34 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1gru n LEU 6 CO 0.22 1.84 -0.02 0.00 -0.00 0.00 0.00 177.39 179.44 1gru n HIS 7 N 2.39 -0.16 0.00 1.96 1.44 -1.26 -3.68 115.22 115.90 1gru n HIS 7 Ca 0.26 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 56.06 1gru n HIS 7 Cb 0.43 -0.61 0.00 0.00 0.12 0.00 0.00 29.99 29.94 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 0.96 0.00 -4.65 4.39 2.03 -1.25 -4.69 116.55 113.35 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 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 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 4.22 -0.09 -0.67 1.81 -1.24 -2.08 118.95 120.90 1gru s ARG 9 Ca 0.00 1.15 0.02 0.00 -1.72 0.00 0.00 55.73 55.18 1gru s ARG 9 Cb 0.00 -3.64 -0.02 0.00 -0.45 0.00 0.00 34.95 30.84 1gru s ARG 9 CO 0.00 -0.58 -0.16 0.08 -0.68 0.00 0.00 175.30 173.96 1gru s VAL 10 N 3.03 2.84 -0.26 3.52 1.01 0.38 -2.13 120.40 128.78 1gru s VAL 10 Ca 0.39 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1gru s VAL 10 Cb -0.15 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1gru s VAL 10 CO 0.07 0.56 0.19 -0.63 0.00 0.00 0.00 175.10 175.29 1gru s ILE 11 N -0.09 5.32 0.00 2.22 1.01 -1.07 -1.36 121.20 127.22 1gru s ILE 11 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1gru s ILE 11 Cb -0.14 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1gru s ILE 11 CO 0.04 0.29 0.00 1.33 0.00 0.00 0.00 174.94 176.59 1gru n VAL 12 N 4.71 0.00 -3.52 2.92 0.24 0.06 0.38 118.33 123.13 1gru n VAL 12 Ca -0.14 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.10 1gru n VAL 12 Cb 0.52 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.82 1gru n VAL 12 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1gru s LYS 13 N -1.45 0.39 1.06 7.34 -2.85 -1.05 -1.99 119.74 121.19 1gru s LYS 13 Ca 0.00 0.96 -0.15 0.00 -1.00 0.00 0.00 55.97 55.78 1gru s LYS 13 Cb 0.00 0.22 0.24 0.00 -2.06 0.00 0.00 37.83 36.23 1gru s LYS 13 CO 0.00 -0.39 0.53 -2.13 0.10 0.00 0.00 175.35 173.46 1gru n ARG 14 N 5.40 -2.46 0.00 1.78 0.63 -1.26 -1.81 116.66 118.93 1gru n ARG 14 Ca -0.07 -0.89 0.00 0.00 -0.92 0.00 0.00 57.85 55.97 1gru n ARG 14 Cb 0.50 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.94 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 -2.78 1.17 -2.06 -0.14 5.02 -0.99 -4.72 118.16 113.67 1gru n LYS 15 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 1gru n LYS 15 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 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 1.65 3.50 -0.00 1.97 0.41 -1.26 -4.75 118.70 120.22 1gru s GLU 16 Ca 0.00 1.47 -0.30 0.00 -0.41 0.00 0.00 54.97 55.73 1gru s GLU 16 Cb 0.00 -4.14 -0.05 0.00 -1.78 0.00 0.00 34.13 28.17 1gru s GLU 16 CO 0.00 -1.66 1.28 0.08 -0.49 0.00 0.00 175.26 174.47 1gru s VAL 17 N 6.25 3.96 -1.22 2.63 1.01 -1.26 -3.92 120.40 127.85 1gru s VAL 17 Ca 0.76 1.34 -0.26 0.00 0.00 0.00 0.00 61.98 63.82 1gru s VAL 17 Cb -0.23 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1gru s VAL 17 CO 0.33 0.03 0.50 -0.62 0.00 0.00 0.00 175.10 175.33 1gru n GLU 18 N 4.91 -0.39 -1.80 2.72 1.02 -1.26 -4.83 120.64 121.01 1gru n GLU 18 Ca 0.11 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 1gru n GLU 18 Cb 0.45 -2.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.38 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 -3.77 2.07 -0.89 2.62 2.01 -1.25 -4.56 115.64 111.87 1gru s THR 19 Ca 0.36 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 1gru s THR 19 Cb -0.20 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1gru s THR 19 CO 0.93 0.01 1.64 -0.54 -0.69 0.00 0.00 174.62 175.97 1gru s LYS 20 N -1.29 3.08 0.00 4.92 3.01 -1.26 -4.13 119.74 124.08 1gru s LYS 20 Ca 0.58 -0.52 0.00 0.00 -1.01 0.00 0.00 55.97 55.02 1gru s LYS 20 Cb -0.47 -4.98 0.00 0.00 -1.01 0.00 0.00 37.83 31.37 1gru s LYS 20 CO 0.55 -2.65 0.00 -1.13 0.51 0.00 0.00 175.35 172.64 1gru n SER 21 N 11.08 0.00 -4.66 2.83 3.41 -1.16 -4.70 113.62 120.42 1gru n SER 21 Ca 0.29 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.59 1gru n SER 21 Cb 0.49 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.61 1gru n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gru n ALA 22 N 0.00 -0.85 -1.10 7.33 0.00 -1.22 -2.17 120.51 122.50 1gru n ALA 22 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1gru n ALA 22 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 1gru n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gru n GLY 23 N 0.32 0.48 4.78 0.00 0.00 -1.26 -3.32 105.19 106.20 1gru n GLY 23 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.57 1.78 0.10 -0.02 0.00 -0.92 -3.88 105.19 101.68 1gru n GLY 24 Ca -0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 1.55 -2.03 -0.61 2.04 -1.76 -3.43 117.51 113.26 1gru h ILE 25 Ca 0.00 -2.84 -0.62 0.00 1.00 0.00 0.00 64.86 62.40 1gru h ILE 25 Cb 0.00 2.55 0.05 0.00 -0.74 0.00 0.00 36.82 38.67 1gru h ILE 25 CO 0.00 0.80 0.79 0.52 0.00 0.00 0.00 178.15 180.26 1gru n VAL 26 N -3.51 0.14 -2.77 1.67 0.31 -1.21 -4.88 118.33 108.08 1gru n VAL 26 Ca -0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1gru n VAL 26 Cb 0.80 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1gru n VAL 26 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1gru n LEU 27 N 4.00 5.83 -4.54 7.52 0.00 -1.26 -3.00 117.00 125.54 1gru n LEU 27 Ca 0.19 -4.62 -0.54 0.00 0.00 0.00 0.00 56.01 51.05 1gru n LEU 27 Cb 0.25 -1.54 -0.07 0.00 0.00 0.00 0.00 43.42 42.06 1gru n LEU 27 CO 0.66 1.07 1.61 1.07 0.00 0.00 0.00 177.39 181.80 1gru n THR 28 N 3.79 0.25 -2.52 1.96 5.66 -1.26 -4.91 114.28 117.25 1gru n THR 28 Ca 0.36 -0.15 -0.36 0.00 -3.05 0.00 0.00 64.05 60.85 1gru n THR 28 Cb 0.40 -1.43 -0.04 0.00 -1.55 0.00 0.00 70.33 67.71 1gru n THR 28 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1gru s GLY 29 N 5.64 2.68 -0.89 1.09 0.00 -1.26 -4.20 107.32 110.38 1gru s GLY 29 Ca 1.05 0.70 -0.26 0.00 0.00 0.00 0.00 44.72 46.21 1gru s GLY 29 CO 0.56 1.10 2.24 -0.45 0.00 0.00 0.00 173.10 176.56 1gru s SER 30 N -1.65 4.08 0.00 1.64 0.15 -1.26 -4.78 113.70 111.88 1gru s SER 30 Ca 0.61 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1gru s SER 30 Cb -0.21 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1gru s SER 30 CO 0.26 -3.81 0.88 0.00 1.20 0.00 0.00 173.24 171.77 1gru n ALA 31 N 17.81 2.54 -2.54 5.45 0.00 -1.26 -4.59 120.51 137.92 1gru n ALA 31 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 1gru n ALA 31 Cb 0.45 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 1.32 -0.21 -2.64 0.00 0.00 -1.26 -5.08 120.51 112.64 1gru n ALA 32 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1gru n ALA 32 Cb 0.28 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.84 3.79 0.36 0.00 0.00 -1.26 -5.17 121.76 116.63 1gru s ALA 33 Ca 0.08 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.82 1gru s ALA 33 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1gru s ALA 33 CO 0.10 -0.11 0.13 1.17 0.00 0.00 0.00 175.76 177.05 1gru n LYS 34 N -1.22 0.63 -4.01 0.00 3.00 -1.26 -4.72 118.16 110.58 1gru n LYS 34 Ca -0.11 -3.03 -0.30 0.00 -0.00 0.00 0.00 58.31 54.87 1gru n LYS 34 Cb 0.66 1.64 -0.06 0.00 0.00 0.00 0.00 35.03 37.28 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 -3.20 5.80 -0.00 3.14 0.15 -1.26 -4.49 113.70 113.83 1gru s SER 35 Ca 0.18 0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.95 1gru s SER 35 Cb 0.01 -1.63 -0.06 0.00 -1.71 0.00 0.00 66.02 62.63 1gru s SER 35 CO 0.13 0.16 0.16 0.35 1.20 0.00 0.00 173.24 175.24 1gru n THR 36 N 0.34 0.00 -2.78 6.45 -2.24 -1.26 -4.89 114.28 109.90 1gru n THR 36 Ca -0.07 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 1gru n THR 36 Cb 0.52 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 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 -1.78 3.63 0.27 -0.78 3.00 -1.26 -1.94 118.95 120.09 1gru s ARG 37 Ca 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 55.73 55.80 1gru s ARG 37 Cb 0.03 -2.41 0.07 0.00 0.00 0.00 0.00 34.95 32.64 1gru s ARG 37 CO 0.19 -0.11 0.93 0.20 0.00 0.00 0.00 175.30 176.50 1gru s GLY 38 N -3.71 0.21 -0.09 -3.53 0.00 -0.22 -2.34 107.32 97.63 1gru s GLY 38 Ca 0.48 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.73 1gru s GLY 38 CO 0.39 1.16 -0.19 1.85 0.00 0.00 0.00 173.10 176.32 1gru s GLU 39 N -2.28 2.52 0.23 2.90 2.12 -0.75 -1.01 118.70 122.44 1gru s GLU 39 Ca 0.19 -0.69 -0.31 0.00 0.36 0.00 0.00 54.97 54.51 1gru s GLU 39 Cb -0.04 -1.99 -0.12 0.00 0.26 0.00 0.00 34.13 32.25 1gru s GLU 39 CO 0.08 0.08 1.66 0.28 -0.54 0.00 0.00 175.26 176.82 1gru n VAL 40 N 3.77 0.37 -0.00 3.70 0.31 0.64 -2.53 118.33 124.58 1gru n VAL 40 Ca -0.20 -0.09 -0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1gru n VAL 40 Cb 0.52 -1.93 -0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1gru n VAL 40 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1gru n LEU 41 N 3.27 2.91 -3.94 7.52 4.77 0.16 -0.36 117.00 131.32 1gru n LEU 41 Ca 0.13 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1gru n LEU 41 Cb 0.35 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1gru n LEU 41 CO 0.64 0.49 -0.23 0.00 -1.33 0.00 0.00 177.39 176.96 1gru s ALA 42 N -2.01 -0.03 -0.08 -1.18 0.00 -0.93 -4.77 121.76 112.78 1gru s ALA 42 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1gru s ALA 42 Cb 0.00 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1gru s ALA 42 CO 0.01 -0.31 -0.08 0.08 0.00 0.00 0.00 175.76 175.46 1gru s VAL 43 N -2.57 0.90 0.44 0.00 1.01 -1.26 -2.61 120.40 116.31 1gru s VAL 43 Ca -0.05 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1gru s VAL 43 Cb -0.01 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1gru s VAL 43 CO -0.04 0.32 1.02 -0.83 0.00 0.00 0.00 175.10 175.56 1gru s GLY 44 N 1.21 2.56 0.00 4.51 0.00 -0.91 -4.75 107.32 109.95 1gru s GLY 44 Ca -0.05 0.58 -0.01 0.00 0.00 0.00 0.00 44.72 45.24 1gru s GLY 44 CO -0.02 0.93 0.52 0.70 0.00 0.00 0.00 173.10 175.23 1gru n ASN 45 N -0.56 -0.03 0.00 1.64 3.02 -1.26 -3.83 115.26 114.24 1gru n ASN 45 Ca 0.07 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1gru n ASN 45 Cb 0.52 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.01 3.49 3.22 7.41 0.00 -1.26 -3.68 105.19 113.37 1gru n GLY 46 Ca 0.00 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.20 0.03 0.00 1.61 0.63 -0.50 -4.16 116.66 113.07 1gru n ARG 47 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1gru n ARG 47 Cb 0.00 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 31.86 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 -1.71 0.13 -0.88 5.15 5.41 -1.26 -1.83 119.36 124.37 1gru n ILE 48 Ca 0.06 -0.48 -0.35 0.00 1.00 0.00 0.00 62.75 62.99 1gru n ILE 48 Cb 0.49 1.08 0.09 0.00 -0.71 0.00 0.00 39.64 40.58 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 -0.06 -2.93 -2.35 1.39 4.77 -1.26 -3.30 117.00 113.26 1gru n LEU 49 Ca 0.00 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 1gru n LEU 49 Cb 0.08 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 1gru n LEU 49 CO 0.00 -4.36 -0.20 1.21 -1.33 0.00 0.00 177.39 172.71 1gru n GLU 50 N 0.24 -1.96 0.00 3.23 2.13 -1.26 -4.47 120.64 118.55 1gru n GLU 50 Ca 0.02 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1gru n GLU 50 Cb 0.58 -5.37 0.00 0.00 0.27 0.00 0.00 31.44 26.91 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 -1.80 0.00 -4.27 4.31 5.15 -1.21 -4.75 115.26 112.69 1gru n ASN 51 Ca -0.18 0.00 -0.55 0.00 -0.60 0.00 0.00 54.58 53.25 1gru n ASN 51 Cb 0.63 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.76 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 -0.23 1.08 8.20 0.00 -1.26 -4.56 105.19 108.43 1gru n GLY 52 Ca 0.00 1.12 0.15 0.00 0.00 0.00 0.00 46.02 47.29 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 7.67 -2.22 -3.49 1.61 4.71 -1.26 -4.86 120.64 122.80 1gru n GLU 53 Ca 0.57 1.51 -0.29 0.00 -0.01 0.00 0.00 57.16 58.94 1gru n GLU 53 Cb -0.02 -2.69 -0.13 0.00 -1.01 0.00 0.00 31.44 27.59 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 -2.15 0.18 0.05 2.62 1.01 -1.26 -4.67 120.40 116.18 1gru s VAL 54 Ca 0.00 -1.60 -0.33 0.00 0.00 0.00 0.00 61.98 60.04 1gru s VAL 54 Cb 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 36.38 35.11 1gru s VAL 54 CO 0.00 -0.94 1.76 2.29 0.00 0.00 0.00 175.10 178.20 1gru n LYS 55 N 4.21 2.30 -0.48 2.72 0.00 -0.76 -4.78 118.16 121.37 1gru n LYS 55 Ca 0.09 0.84 -0.31 0.00 -0.00 0.00 0.00 58.31 58.93 1gru n LYS 55 Cb 0.38 -2.67 0.28 0.00 -0.00 0.00 0.00 35.03 33.02 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 2.57 -2.81 -0.11 -1.58 0.04 -1.26 -1.41 135.00 130.45 1gru s PRO 56 Ca 0.85 0.05 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 1gru s PRO 56 Cb -0.64 -1.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1gru s PRO 56 CO 0.43 -4.78 -0.02 -0.51 0.04 0.00 0.00 177.00 172.16 1gru s LEU 57 N -7.75 3.40 0.00 -3.56 1.43 -1.24 -4.60 118.68 106.37 1gru s LEU 57 Ca 0.69 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1gru s LEU 57 Cb -0.12 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1gru s LEU 57 CO 0.57 0.29 0.49 0.47 0.23 0.00 0.00 176.35 178.40 1gru n ASP 58 N 2.71 1.23 -3.74 2.29 9.92 -1.26 -4.67 116.55 123.03 1gru n ASP 58 Ca -0.18 -1.43 -0.23 0.00 -0.53 0.00 0.00 54.79 52.42 1gru n ASP 58 Cb 0.53 -0.36 -0.17 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.54 0.28 0.28 2.53 -7.23 -1.26 -5.13 120.40 109.33 1gru s VAL 59 Ca 0.00 0.05 -0.22 0.00 -1.81 0.00 0.00 61.98 60.00 1gru s VAL 59 Cb 0.00 -0.54 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 1gru s VAL 59 CO 0.00 0.13 0.83 -1.59 -0.31 0.00 0.00 175.10 174.16 1gru s LYS 60 N 2.00 4.37 -0.05 4.82 -2.85 -1.26 -4.92 119.74 121.85 1gru s LYS 60 Ca 0.04 1.06 -0.37 0.00 -1.00 0.00 0.00 55.97 55.70 1gru s LYS 60 Cb -0.13 -2.77 -0.15 0.00 -2.06 0.00 0.00 37.83 32.72 1gru s LYS 60 CO -0.06 0.30 1.60 0.28 0.10 0.00 0.00 175.35 177.58 1gru n VAL 61 N 0.49 0.20 0.00 1.79 0.31 -1.26 -1.88 118.33 117.98 1gru n VAL 61 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1gru n VAL 61 Cb 0.51 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 3.52 1.60 3.63 2.92 0.00 0.51 -4.96 105.19 112.41 1gru n GLY 62 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 0.83 -4.69 1.61 8.00 -0.79 -4.37 116.55 117.15 1gru n ASP 63 Ca 0.00 0.75 -0.37 0.00 0.71 0.00 0.00 54.79 55.88 1gru n ASP 63 Cb 0.00 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.12 39.60 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 -1.60 5.29 0.06 0.53 1.01 -1.26 -0.26 121.20 124.96 1gru s ILE 64 Ca 0.76 0.47 -0.02 0.00 0.00 0.00 0.00 60.65 61.87 1gru s ILE 64 Cb -0.38 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1gru s ILE 64 CO 0.47 0.33 -0.00 0.68 0.00 0.00 0.00 174.94 176.42 1gru s VAL 65 N 0.94 0.21 -0.11 2.92 -7.23 -0.18 -1.89 120.40 115.06 1gru s VAL 65 Ca 0.14 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1gru s VAL 65 Cb -0.14 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 1gru s VAL 65 CO 0.05 -0.95 0.01 -0.63 -0.31 0.00 0.00 175.10 173.26 1gru s ILE 66 N -3.91 4.35 0.07 -0.62 1.01 0.14 -1.06 121.20 121.18 1gru s ILE 66 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 1gru s ILE 66 Cb 0.08 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 1gru s ILE 66 CO -0.10 0.57 0.06 0.72 0.00 0.00 0.00 174.94 176.18 1gru s PHE 67 N -0.54 0.43 -0.53 3.97 -0.12 -0.82 -0.30 117.98 120.08 1gru s PHE 67 Ca 0.09 -0.92 -0.18 0.00 -0.05 0.00 0.00 56.93 55.87 1gru s PHE 67 Cb -0.12 -0.28 0.08 0.00 -0.63 0.00 0.00 43.02 42.07 1gru s PHE 67 CO 0.02 -0.45 0.60 1.21 -0.05 0.00 0.00 175.22 176.55 1gru s ASN 68 N -2.91 6.20 -0.98 1.98 3.84 -1.03 -4.81 114.94 117.23 1gru s ASN 68 Ca 0.08 -1.19 -0.24 0.00 0.21 0.00 0.00 52.86 51.72 1gru s ASN 68 Cb 0.07 -2.27 -0.06 0.00 -0.55 0.00 0.00 41.25 38.44 1gru s ASN 68 CO -0.09 -0.91 1.95 -0.62 -2.79 0.00 0.00 177.10 174.64 1gru s ASP 69 N 3.00 5.09 0.00 -4.21 -1.08 -1.26 -4.87 116.67 113.35 1gru s ASP 69 Ca 0.11 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 1gru s ASP 69 Cb -0.22 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 1gru s ASP 69 CO 0.09 -2.86 0.00 0.61 0.52 0.00 0.00 175.17 173.53 1gru n GLY 70 N 6.55 3.55 0.15 2.66 0.00 -1.26 -5.00 105.19 111.84 1gru n GLY 70 Ca 0.42 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 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 0.50 -0.36 1.61 3.20 -2.04 -3.15 116.97 116.73 1gru h TYR 71 Ca 0.00 -0.14 0.11 0.00 3.14 0.00 0.00 58.73 61.84 1gru h TYR 71 Cb 0.00 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1gru h TYR 71 CO 0.00 0.75 0.63 0.78 -1.64 0.00 0.00 178.16 178.68 1gru h GLY 72 N 0.11 0.00 -3.52 1.82 0.00 -1.95 -3.41 103.07 96.12 1gru h GLY 72 Ca 0.04 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.88 1gru h GLY 72 CO 0.04 0.00 0.29 0.14 0.00 0.00 0.00 176.54 177.00 1gru s VAL 73 N -4.36 4.24 0.41 4.60 1.01 -1.19 -4.53 120.40 120.59 1gru s VAL 73 Ca -0.03 1.82 0.05 0.00 0.00 0.00 0.00 61.98 63.81 1gru s VAL 73 Cb 0.11 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1gru s VAL 73 CO 0.39 0.33 0.17 -0.54 0.00 0.00 0.00 175.10 175.45 1gru s LYS 74 N -1.61 1.96 -0.00 2.72 -0.14 -1.18 -4.94 119.74 116.55 1gru s LYS 74 Ca 0.44 -2.20 -0.02 0.00 -1.36 0.00 0.00 55.97 52.83 1gru s LYS 74 Cb -0.21 -0.42 -0.00 0.00 -1.68 0.00 0.00 37.83 35.52 1gru s LYS 74 CO 0.26 -0.56 0.04 0.45 -0.76 0.00 0.00 175.35 174.79 1gru s SER 75 N -3.59 0.05 0.30 2.83 0.15 -1.26 -2.90 113.70 109.28 1gru s SER 75 Ca 0.25 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 1gru s SER 75 Cb 0.01 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1gru s SER 75 CO 0.17 -0.16 0.39 -1.61 1.20 0.00 0.00 173.24 173.24 1gru s GLU 76 N -0.64 1.70 -0.32 5.44 0.41 -1.05 -5.01 118.70 119.25 1gru s GLU 76 Ca -0.07 -1.68 0.03 0.00 -0.41 0.00 0.00 54.97 52.84 1gru s GLU 76 Cb -0.04 0.40 0.09 0.00 -1.78 0.00 0.00 34.13 32.80 1gru s GLU 76 CO -0.00 -0.68 0.03 0.21 -0.49 0.00 0.00 175.26 174.34 1gru s LYS 77 N -3.47 1.42 -0.35 1.61 2.47 -1.26 -2.66 119.74 117.51 1gru s LYS 77 Ca 0.32 -1.59 -0.09 0.00 -1.56 0.00 0.00 55.97 53.04 1gru s LYS 77 Cb 0.01 -2.89 0.02 0.00 -1.46 0.00 0.00 37.83 33.52 1gru s LYS 77 CO 0.18 -0.88 0.15 0.42 0.16 0.00 0.00 175.35 175.38 1gru s ILE 78 N 1.10 4.27 -1.20 5.43 1.09 -0.72 -4.24 121.20 126.93 1gru s ILE 78 Ca 0.07 -0.86 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 1gru s ILE 78 Cb -0.19 -3.35 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 1gru s ILE 78 CO -0.11 -0.14 0.00 0.47 -0.10 0.00 0.00 174.94 175.06 1gru n ASP 79 N 4.93 -4.25 -0.59 3.58 8.00 -1.26 -2.50 116.55 124.45 1gru n ASP 79 Ca -0.13 0.18 -0.05 0.00 0.71 0.00 0.00 54.79 55.51 1gru n ASP 79 Cb 0.46 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 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 -0.13 -2.17 -4.31 -2.24 2.85 -1.26 -5.06 115.26 102.95 1gru n ASN 80 Ca -0.13 -0.02 -0.26 0.00 -0.11 0.00 0.00 54.58 54.06 1gru n ASN 80 Cb 0.49 -1.46 -0.13 0.00 1.24 0.00 0.00 39.78 39.92 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 -4.36 1.30 0.35 1.20 8.01 -1.04 -5.07 118.70 119.09 1gru s GLU 81 Ca 0.02 -1.16 -0.26 0.00 0.01 0.00 0.00 54.97 53.58 1gru s GLU 81 Cb -0.01 -1.58 -0.09 0.00 -4.31 0.00 0.00 34.13 28.14 1gru s GLU 81 CO 0.02 0.38 1.03 -1.21 0.01 0.00 0.00 175.26 175.49 1gru s GLU 82 N -1.74 4.40 0.00 1.61 0.41 -1.26 -1.76 118.70 120.36 1gru s GLU 82 Ca 0.09 1.54 -0.19 0.00 -0.41 0.00 0.00 54.97 56.00 1gru s GLU 82 Cb -0.10 -2.78 0.03 0.00 -1.78 0.00 0.00 34.13 29.51 1gru s GLU 82 CO 0.04 0.06 0.40 0.14 -0.49 0.00 0.00 175.26 175.41 1gru s VAL 83 N -1.51 0.05 0.10 2.63 -7.23 -1.09 -4.82 120.40 108.53 1gru s VAL 83 Ca 0.52 -0.40 0.10 0.00 -1.81 0.00 0.00 61.98 60.39 1gru s VAL 83 Cb -0.24 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1gru s VAL 83 CO 0.30 -0.22 -0.27 -0.76 -0.31 0.00 0.00 175.10 173.84 1gru s LEU 84 N -1.56 2.27 -0.20 1.32 1.02 -0.84 -2.52 118.68 118.17 1gru s LEU 84 Ca -0.10 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 53.33 1gru s LEU 84 Cb -0.03 -1.23 0.06 0.00 0.02 0.00 0.00 46.19 45.01 1gru s LEU 84 CO 0.03 0.20 0.02 -0.63 0.02 0.00 0.00 176.35 175.98 1gru s ILE 85 N -0.99 0.73 0.37 -0.59 1.01 -1.14 -0.76 121.20 119.84 1gru s ILE 85 Ca 0.13 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1gru s ILE 85 Cb -0.10 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1gru s ILE 85 CO 0.05 -0.17 0.19 0.00 0.00 0.00 0.00 174.94 175.00 1gru s MET 86 N 1.76 1.84 0.32 2.79 0.23 -0.47 -3.12 119.30 122.66 1gru s MET 86 Ca -0.02 -2.10 -0.04 0.00 -1.03 0.00 0.00 55.69 52.50 1gru s MET 86 Cb -0.17 -0.21 -0.05 0.00 -1.53 0.00 0.00 34.83 32.86 1gru s MET 86 CO -0.08 -0.55 0.58 -1.54 -2.03 0.00 0.00 175.02 171.41 1gru s SER 87 N -3.50 6.41 0.49 -1.18 1.04 -1.26 0.14 113.70 115.84 1gru s SER 87 Ca 0.31 0.71 0.29 0.00 0.48 0.00 0.00 55.95 57.74 1gru s SER 87 Cb 0.02 -2.14 1.38 0.00 0.10 0.00 0.00 66.02 65.38 1gru s SER 87 CO 0.19 -0.25 1.81 -0.08 0.98 0.00 0.00 173.24 175.89 1gru h GLU 88 N 1.40 0.14 -0.69 4.02 4.81 -1.80 -0.15 114.58 122.30 1gru h GLU 88 Ca -0.48 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 1gru h GLU 88 Cb 1.20 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.44 1gru h GLU 88 CO 0.65 0.09 -0.57 0.77 -0.73 0.00 0.00 179.01 179.22 1gru h SER 89 N 0.14 -2.00 -0.48 1.04 0.02 -1.91 -0.20 113.55 110.16 1gru h SER 89 Ca 0.55 0.28 0.07 0.00 -0.84 0.00 0.00 61.79 61.86 1gru h SER 89 Cb 1.91 0.85 -0.03 0.00 0.14 0.00 0.00 62.40 65.28 1gru h SER 89 CO -0.11 -0.32 0.32 0.44 -1.14 0.00 0.00 176.83 176.02 1gru h ASP 90 N -0.20 0.33 -2.78 3.07 3.32 -1.37 -3.42 116.42 115.36 1gru h ASP 90 Ca 0.11 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.63 1gru h ASP 90 Cb 0.50 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.99 1gru h ASP 90 CO -0.76 0.21 0.93 -0.63 -1.72 0.00 0.00 179.24 177.27 1gru s ILE 91 N -5.36 3.36 -0.20 0.35 1.01 -0.09 -2.45 121.20 117.82 1gru s ILE 91 Ca -0.07 0.77 -0.17 0.00 0.00 0.00 0.00 60.65 61.18 1gru s ILE 91 Cb 0.19 -3.49 -0.13 0.00 0.01 0.00 0.00 42.46 39.04 1gru s ILE 91 CO 0.73 -0.00 -0.01 0.18 0.00 0.00 0.00 174.94 175.84 1gru n LEU 92 N 5.55 1.86 -4.17 2.97 4.77 0.59 -4.97 117.00 123.61 1gru n LEU 92 Ca 0.15 0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 56.43 1gru n LEU 92 Cb 0.42 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1gru n LEU 92 CO 0.61 0.08 0.01 0.00 -1.33 0.00 0.00 177.39 176.75 1gru s ALA 93 N -2.52 1.18 -0.11 -1.18 0.00 -1.05 -4.98 121.76 113.09 1gru s ALA 93 Ca -0.26 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 49.98 1gru s ALA 93 Cb 0.06 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.50 1gru s ALA 93 CO 0.46 -0.73 -0.12 0.42 0.00 0.00 0.00 175.76 175.80 1gru s ILE 94 N -3.34 1.29 -0.03 0.00 1.01 -1.26 -0.69 121.20 118.18 1gru s ILE 94 Ca 0.35 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1gru s ILE 94 Cb 0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1gru s ILE 94 CO 0.22 0.41 1.23 -0.69 0.00 0.00 0.00 174.94 176.11 1gru s VAL 95 N 1.31 4.13 0.00 2.92 1.01 -0.79 -4.98 120.40 124.00 1gru s VAL 95 Ca -0.01 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1gru s VAL 95 Cb -0.14 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1gru s VAL 95 CO -0.05 0.01 0.00 -0.62 0.00 0.00 0.00 175.10 174.44 1gru n GLU 96 N 5.06 2.15 0.00 2.72 1.02 -1.26 -4.53 120.64 125.80 1gru n GLU 96 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1gru n GLU 96 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1gru n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31