#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 3.85 0.63 6.12 4.22 -1.26 -4.75 114.94 123.75 1gru s ASN 2 Ca 0.00 -1.24 0.00 0.00 -2.14 0.00 0.00 52.86 49.48 1gru s ASN 2 Cb 0.00 -0.39 0.08 0.00 1.28 0.00 0.00 41.25 42.22 1gru s ASN 2 CO 0.00 -0.31 0.89 0.27 -2.04 0.00 0.00 177.10 175.91 1gru s ILE 3 N -2.64 2.40 -0.23 0.54 -5.25 -1.26 -5.12 121.20 109.65 1gru s ILE 3 Ca 0.34 -0.61 -0.03 0.00 -0.99 0.00 0.00 60.65 59.35 1gru s ILE 3 Cb 0.05 -2.79 0.11 0.00 2.95 0.00 0.00 42.46 42.78 1gru s ILE 3 CO 0.17 0.00 0.25 -0.60 -1.79 0.00 0.00 174.94 172.97 1gru s ARG 4 N -4.96 0.23 1.11 0.37 6.06 -1.26 -5.03 118.95 115.47 1gru s ARG 4 Ca 0.61 0.14 -0.16 0.00 -2.50 0.00 0.00 55.73 53.82 1gru s ARG 4 Cb -0.08 -1.03 0.14 0.00 0.06 0.00 0.00 34.95 34.04 1gru s ARG 4 CO 0.41 -0.74 0.36 -0.35 -2.50 0.00 0.00 175.30 172.48 1gru n PRO 5 N 5.32 -1.61 -3.58 5.12 -0.04 -1.26 -4.96 135.00 133.99 1gru n PRO 5 Ca -0.05 -0.44 -0.30 0.00 -0.04 0.00 0.00 63.50 62.67 1gru n PRO 5 Cb 0.49 -1.86 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 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 -2.56 3.80 -1.41 1.53 -0.00 -1.26 -4.75 117.00 112.35 1gru n LEU 6 Ca 0.02 -5.31 0.00 0.00 -0.00 0.00 0.00 56.01 50.72 1gru n LEU 6 Cb 0.59 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1gru n LEU 6 CO 0.53 1.86 0.00 0.00 -0.00 0.00 0.00 177.39 179.78 1gru n HIS 7 N 1.44 0.00 0.00 1.96 1.44 -1.26 -3.91 115.22 114.89 1gru n HIS 7 Ca 0.25 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.96 1gru n HIS 7 Cb 0.38 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.02 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 0.58 0.00 -4.73 4.39 2.03 -1.26 -4.73 116.55 112.83 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 4.32 -0.06 -0.67 1.81 -1.25 -1.99 118.95 121.10 1gru s ARG 9 Ca 0.00 2.17 0.04 0.00 -1.72 0.00 0.00 55.73 56.22 1gru s ARG 9 Cb 0.00 -3.18 -0.00 0.00 -0.45 0.00 0.00 34.95 31.32 1gru s ARG 9 CO 0.00 -0.39 -0.19 0.08 -0.68 0.00 0.00 175.30 174.11 1gru s VAL 10 N 0.46 1.65 -0.30 3.52 1.01 0.14 -1.42 120.40 125.46 1gru s VAL 10 Ca 0.61 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1gru s VAL 10 Cb -0.39 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1gru s VAL 10 CO 0.37 0.47 0.29 -0.63 0.00 0.00 0.00 175.10 175.60 1gru s ILE 11 N 0.19 5.23 0.42 2.22 1.01 -0.93 -2.62 121.20 126.73 1gru s ILE 11 Ca -0.09 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1gru s ILE 11 Cb -0.14 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1gru s ILE 11 CO 0.04 0.09 0.11 1.33 0.00 0.00 0.00 174.94 176.51 1gru n VAL 12 N 5.13 0.00 -3.60 2.92 0.24 0.28 -0.66 118.33 122.64 1gru n VAL 12 Ca -0.11 -2.34 -0.18 0.00 -2.04 0.00 0.00 64.34 59.67 1gru n VAL 12 Cb 0.51 0.75 -0.15 0.00 -1.47 0.00 0.00 33.84 33.48 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 -3.59 0.10 1.15 7.34 -2.85 -0.99 0.47 119.74 121.37 1gru s LYS 13 Ca 0.16 0.39 -0.17 0.00 -1.00 0.00 0.00 55.97 55.35 1gru s LYS 13 Cb 0.01 -0.73 0.24 0.00 -2.06 0.00 0.00 37.83 35.29 1gru s LYS 13 CO 0.11 -0.46 0.51 -2.13 0.10 0.00 0.00 175.35 173.49 1gru n ARG 14 N 5.32 -3.06 0.00 1.78 0.63 -1.26 -1.92 116.66 118.15 1gru n ARG 14 Ca -0.05 -0.90 0.00 0.00 -0.92 0.00 0.00 57.85 55.97 1gru n ARG 14 Cb 0.50 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.78 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 -3.07 2.37 -2.01 -0.14 5.02 -0.65 -4.75 118.16 114.92 1gru n LYS 15 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 1gru n LYS 15 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.41 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 1.40 4.17 -0.26 1.97 0.41 -1.26 -4.71 118.70 120.42 1gru s GLU 16 Ca 0.00 2.16 -0.29 0.00 -0.41 0.00 0.00 54.97 56.43 1gru s GLU 16 Cb 0.00 -3.99 0.00 0.00 -1.78 0.00 0.00 34.13 28.37 1gru s GLU 16 CO 0.00 -0.86 1.18 0.08 -0.49 0.00 0.00 175.26 175.17 1gru s VAL 17 N 4.08 4.38 -1.03 2.63 1.01 -1.26 -4.13 120.40 126.08 1gru s VAL 17 Ca 0.73 1.61 -0.16 0.00 0.00 0.00 0.00 61.98 64.16 1gru s VAL 17 Cb -0.33 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1gru s VAL 17 CO 0.29 -0.35 0.73 -0.62 0.00 0.00 0.00 175.10 175.15 1gru n GLU 18 N 6.85 -1.14 -1.98 2.72 1.02 -1.26 -4.88 120.64 121.96 1gru n GLU 18 Ca 0.13 0.59 -0.42 0.00 -0.02 0.00 0.00 57.16 57.45 1gru n GLU 18 Cb 0.46 -3.67 -0.03 0.00 -0.02 0.00 0.00 31.44 28.19 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 -3.31 2.68 -0.77 2.62 2.01 -1.26 -4.52 115.64 113.09 1gru s THR 19 Ca 0.32 0.52 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1gru s THR 19 Cb -0.13 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1gru s THR 19 CO 0.87 0.06 1.97 -0.54 -0.69 0.00 0.00 174.62 176.30 1gru s LYS 20 N 0.38 2.49 0.00 4.92 3.01 -1.25 -4.03 119.74 125.26 1gru s LYS 20 Ca 0.64 0.16 0.00 0.00 -1.01 0.00 0.00 55.97 55.77 1gru s LYS 20 Cb -0.42 -4.78 0.00 0.00 -1.01 0.00 0.00 37.83 31.62 1gru s LYS 20 CO 0.37 -3.22 0.00 -1.13 0.51 0.00 0.00 175.35 171.88 1gru n SER 21 N 13.96 0.00 -4.69 2.83 3.41 -1.17 -4.66 113.62 123.30 1gru n SER 21 Ca 0.33 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.57 1gru n SER 21 Cb 0.49 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.97 7.33 0.00 -1.21 -1.49 120.51 125.02 1gru n ALA 22 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1gru n ALA 22 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 1.03 0.93 0.93 0.00 0.00 -1.26 -3.68 105.19 103.14 1gru n GLY 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 1.06 0.18 -0.02 0.00 -0.56 -4.27 105.19 99.58 1gru n GLY 24 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 1.37 -1.50 -0.61 2.04 -1.80 -3.43 117.51 113.58 1gru h ILE 25 Ca 0.00 -1.95 -0.75 0.00 1.00 0.00 0.00 64.86 63.16 1gru h ILE 25 Cb 0.00 1.96 0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1gru h ILE 25 CO 0.00 0.59 0.81 0.52 0.00 0.00 0.00 178.15 180.07 1gru n VAL 26 N -3.89 0.24 -2.56 1.67 0.31 -1.24 -4.86 118.33 107.99 1gru n VAL 26 Ca -0.03 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 1gru n VAL 26 Cb 0.63 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 4.84 6.00 -4.45 7.52 0.00 -1.26 -3.06 117.00 126.59 1gru n LEU 27 Ca 0.26 -4.51 -0.52 0.00 0.00 0.00 0.00 56.01 51.24 1gru n LEU 27 Cb 0.12 -1.56 -0.08 0.00 0.00 0.00 0.00 43.42 41.90 1gru n LEU 27 CO 0.79 1.04 1.75 1.07 0.00 0.00 0.00 177.39 182.04 1gru n THR 28 N 4.09 0.18 -1.50 1.96 5.66 -1.26 -4.86 114.28 118.55 1gru n THR 28 Ca 0.40 -0.21 -0.31 0.00 -3.05 0.00 0.00 64.05 60.88 1gru n THR 28 Cb 0.39 -1.47 0.06 0.00 -1.55 0.00 0.00 70.33 67.77 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 6.76 1.74 -0.90 1.09 0.00 -1.26 -3.92 107.32 110.82 1gru s GLY 29 Ca 1.10 0.21 -0.24 0.00 0.00 0.00 0.00 44.72 45.78 1gru s GLY 29 CO 0.53 0.54 1.88 -0.45 0.00 0.00 0.00 173.10 175.59 1gru s SER 30 N -3.48 5.32 0.00 1.64 0.15 -1.26 -4.85 113.70 111.22 1gru s SER 30 Ca 0.60 -0.73 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 1gru s SER 30 Cb -0.16 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1gru s SER 30 CO 0.53 -2.57 1.94 0.00 1.20 0.00 0.00 173.24 174.34 1gru n ALA 31 N 13.27 3.94 -2.85 5.45 0.00 -1.26 -4.63 120.51 134.43 1gru n ALA 31 Ca 0.38 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 1gru n ALA 31 Cb 0.48 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 1.76 -0.48 -4.52 0.00 0.00 -1.26 -5.07 120.51 110.93 1gru n ALA 32 Ca 0.06 0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 1gru n ALA 32 Cb 0.48 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 1gru n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gru n ALA 33 N -3.27 0.39 -4.01 0.00 0.00 -1.26 -5.18 120.51 107.18 1gru n ALA 33 Ca -0.01 -1.82 -0.17 0.00 0.00 0.00 0.00 53.44 51.44 1gru n ALA 33 Cb 0.52 1.07 -0.05 0.00 0.00 0.00 0.00 19.45 20.99 1gru n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gru n LYS 34 N -0.95 0.51 -4.20 0.00 3.00 -1.26 -4.78 118.16 110.48 1gru n LYS 34 Ca -0.13 -2.27 -0.30 0.00 -0.00 0.00 0.00 58.31 55.60 1gru n LYS 34 Cb 0.52 1.50 -0.09 0.00 0.00 0.00 0.00 35.03 36.96 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 -2.63 4.73 -0.01 3.14 0.15 -1.26 -4.35 113.70 113.48 1gru s SER 35 Ca 0.19 -0.26 0.08 0.00 0.70 0.00 0.00 55.95 56.67 1gru s SER 35 Cb 0.01 -1.04 -0.11 0.00 -1.71 0.00 0.00 66.02 63.17 1gru s SER 35 CO 0.14 0.19 0.26 0.35 1.20 0.00 0.00 173.24 175.38 1gru n THR 36 N 0.73 0.00 -2.34 6.45 -2.24 -1.26 -4.82 114.28 110.79 1gru n THR 36 Ca -0.12 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 1gru n THR 36 Cb 0.52 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 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 -2.19 3.88 0.28 -0.78 3.00 -1.26 -2.68 118.95 119.20 1gru s ARG 37 Ca -0.00 0.88 -0.20 0.00 0.00 0.00 0.00 55.73 56.42 1gru s ARG 37 Cb 0.06 -2.14 0.06 0.00 0.00 0.00 0.00 34.95 32.92 1gru s ARG 37 CO 0.34 -0.31 0.88 0.20 0.00 0.00 0.00 175.30 176.41 1gru s GLY 38 N -3.27 0.13 0.06 -3.53 0.00 -0.30 -1.64 107.32 98.76 1gru s GLY 38 Ca 0.58 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.95 1gru s GLY 38 CO 0.35 0.53 -0.23 1.85 0.00 0.00 0.00 173.10 175.60 1gru s GLU 39 N -2.68 1.50 0.12 2.90 2.12 -0.81 -0.99 118.70 120.86 1gru s GLU 39 Ca 0.16 -1.05 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 1gru s GLU 39 Cb -0.04 -1.68 -0.07 0.00 0.26 0.00 0.00 34.13 32.60 1gru s GLU 39 CO 0.08 0.43 1.22 0.08 -0.54 0.00 0.00 175.26 176.52 1gru s VAL 40 N -0.86 3.76 0.00 3.70 1.01 0.38 -2.34 120.40 126.05 1gru s VAL 40 Ca 0.09 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1gru s VAL 40 Cb -0.09 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1gru s VAL 40 CO 0.02 0.15 0.00 0.18 0.00 0.00 0.00 175.10 175.45 1gru n LEU 41 N 3.37 0.52 -4.16 3.92 4.77 0.17 0.71 117.00 126.29 1gru n LEU 41 Ca 0.07 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 1gru n LEU 41 Cb 0.45 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1gru n LEU 41 CO 0.56 0.06 -0.45 0.00 -1.33 0.00 0.00 177.39 176.24 1gru s ALA 42 N -1.99 1.11 -0.10 -1.18 0.00 -0.94 -4.74 121.76 113.92 1gru s ALA 42 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1gru s ALA 42 Cb 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1gru s ALA 42 CO 0.00 0.13 -0.10 0.08 0.00 0.00 0.00 175.76 175.88 1gru s VAL 43 N -1.36 1.11 0.79 0.00 1.01 -1.26 -2.18 120.40 118.51 1gru s VAL 43 Ca -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1gru s VAL 43 Cb -0.10 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.27 1gru s VAL 43 CO 0.02 0.37 1.10 -0.83 0.00 0.00 0.00 175.10 175.76 1gru s GLY 44 N 1.33 1.68 0.00 4.51 0.00 -0.51 -4.71 107.32 109.62 1gru s GLY 44 Ca -0.02 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1gru s GLY 44 CO -0.04 0.66 0.60 0.70 0.00 0.00 0.00 173.10 175.02 1gru n ASN 45 N -3.61 0.00 0.00 1.64 3.02 -1.26 -4.27 115.26 110.78 1gru n ASN 45 Ca 0.09 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 1gru n ASN 45 Cb 0.53 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 -0.90 1.00 3.54 7.41 0.00 -1.26 -3.44 105.19 111.55 1gru n GLY 46 Ca 0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.13 0.73 -0.07 1.61 0.63 -0.38 -4.06 116.66 114.98 1gru n ARG 47 Ca 0.00 0.28 0.03 0.00 -0.92 0.00 0.00 57.85 57.24 1gru n ARG 47 Cb 0.00 -1.91 0.07 0.00 0.45 0.00 0.00 32.46 31.06 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 -1.60 0.71 -1.19 5.15 5.41 -1.26 -1.63 119.36 124.95 1gru n ILE 48 Ca 0.12 -0.86 -0.36 0.00 1.00 0.00 0.00 62.75 62.66 1gru n ILE 48 Cb 0.47 0.68 0.07 0.00 -0.71 0.00 0.00 39.64 40.15 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 0.13 0.41 -1.88 1.39 4.77 -1.26 -3.24 117.00 117.32 1gru n LEU 49 Ca 0.05 0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 56.39 1gru n LEU 49 Cb 0.29 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 1gru n LEU 49 CO 0.04 -3.30 -0.22 1.21 -1.33 0.00 0.00 177.39 173.80 1gru n GLU 50 N -0.72 -1.43 0.00 3.23 2.13 -1.26 -4.53 120.64 118.05 1gru n GLU 50 Ca 0.09 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.93 1gru n GLU 50 Cb 0.50 -5.47 0.00 0.00 0.27 0.00 0.00 31.44 26.75 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 -1.39 0.00 -4.47 4.31 5.15 -1.20 -4.75 115.26 112.91 1gru n ASN 51 Ca -0.21 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.33 1gru n ASN 51 Cb 0.65 0.00 -0.12 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 -0.23 0.78 8.20 0.00 -1.26 -4.58 105.19 108.10 1gru n GLY 52 Ca 0.00 1.04 0.10 0.00 0.00 0.00 0.00 46.02 47.16 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 8.43 -1.64 -3.51 1.61 4.71 -1.26 -4.87 120.64 124.12 1gru n GLU 53 Ca 0.57 1.15 -0.29 0.00 -0.01 0.00 0.00 57.16 58.58 1gru n GLU 53 Cb 0.13 -1.98 -0.13 0.00 -1.01 0.00 0.00 31.44 28.46 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 -2.17 0.26 -0.06 2.62 1.01 -1.26 -4.69 120.40 116.12 1gru s VAL 54 Ca 0.00 -1.64 -0.37 0.00 0.00 0.00 0.00 61.98 59.97 1gru s VAL 54 Cb 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 36.38 35.02 1gru s VAL 54 CO 0.00 -0.93 1.59 2.29 0.00 0.00 0.00 175.10 178.05 1gru n LYS 55 N 4.20 1.43 -0.85 2.72 0.00 -0.65 -4.67 118.16 120.35 1gru n LYS 55 Ca 0.08 0.52 -0.29 0.00 -0.00 0.00 0.00 58.31 58.63 1gru n LYS 55 Cb 0.38 -2.22 0.20 0.00 -0.00 0.00 0.00 35.03 33.38 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 2.15 0.03 -0.02 -1.58 0.04 -1.26 -1.25 135.00 133.11 1gru s PRO 56 Ca 0.90 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 1gru s PRO 56 Cb -0.92 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1gru s PRO 56 CO 0.53 -3.08 0.33 -0.51 0.04 0.00 0.00 177.00 174.31 1gru s LEU 57 N -6.77 4.44 0.00 -3.56 1.43 -1.22 -4.74 118.68 108.26 1gru s LEU 57 Ca 0.66 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1gru s LEU 57 Cb -0.22 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1gru s LEU 57 CO 0.61 0.32 0.80 0.47 0.23 0.00 0.00 176.35 178.78 1gru n ASP 58 N 1.71 0.32 -3.91 2.29 9.92 -1.26 -4.70 116.55 120.91 1gru n ASP 58 Ca -0.15 -1.91 -0.29 0.00 -0.53 0.00 0.00 54.79 51.91 1gru n ASP 58 Cb 0.53 -0.16 -0.16 0.00 -0.64 0.00 0.00 41.12 40.69 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 -1.67 1.28 0.50 2.53 -7.23 -1.26 -5.12 120.40 109.42 1gru s VAL 59 Ca 0.00 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.12 1gru s VAL 59 Cb 0.00 -1.49 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 1gru s VAL 59 CO 0.00 0.04 1.01 -1.59 -0.31 0.00 0.00 175.10 174.25 1gru s LYS 60 N 1.54 3.85 0.28 4.82 -2.85 -1.26 -4.89 119.74 121.22 1gru s LYS 60 Ca -0.02 1.19 -0.30 0.00 -1.00 0.00 0.00 55.97 55.84 1gru s LYS 60 Cb -0.17 -2.11 -0.12 0.00 -2.06 0.00 0.00 37.83 33.37 1gru s LYS 60 CO -0.07 -0.37 1.58 0.28 0.10 0.00 0.00 175.35 176.87 1gru n VAL 61 N -1.21 0.91 0.00 1.79 0.31 -1.26 -2.54 118.33 116.33 1gru n VAL 61 Ca 0.08 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1gru n VAL 61 Cb 0.53 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 2.33 0.67 3.71 2.92 0.00 0.22 -4.94 105.19 110.10 1gru n GLY 62 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 1.96 -4.64 1.61 8.00 -1.05 -4.24 116.55 118.18 1gru n ASP 63 Ca 0.00 0.85 -0.39 0.00 0.71 0.00 0.00 54.79 55.96 1gru n ASP 63 Cb 0.00 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.12 39.50 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 -1.39 5.10 0.05 0.53 1.01 -1.26 -0.47 121.20 124.77 1gru s ILE 64 Ca 0.79 0.90 -0.00 0.00 0.00 0.00 0.00 60.65 62.35 1gru s ILE 64 Cb -0.39 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1gru s ILE 64 CO 0.43 0.14 -0.04 0.68 0.00 0.00 0.00 174.94 176.16 1gru s VAL 65 N 1.90 0.30 -0.13 2.92 -7.23 -0.16 -0.88 120.40 117.11 1gru s VAL 65 Ca 0.22 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1gru s VAL 65 Cb -0.15 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1gru s VAL 65 CO 0.09 -0.84 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.40 1gru s ILE 66 N -3.23 4.20 0.20 -0.62 1.01 -1.01 -1.15 121.20 120.60 1gru s ILE 66 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1gru s ILE 66 Cb 0.03 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 1gru s ILE 66 CO -0.07 0.53 0.04 0.72 0.00 0.00 0.00 174.94 176.16 1gru s PHE 67 N -0.09 1.30 -0.48 3.97 -0.12 -1.09 -1.60 117.98 119.86 1gru s PHE 67 Ca 0.04 -1.09 -0.16 0.00 -0.05 0.00 0.00 56.93 55.66 1gru s PHE 67 Cb -0.13 -0.74 0.08 0.00 -0.63 0.00 0.00 43.02 41.60 1gru s PHE 67 CO 0.02 -0.28 0.43 1.21 -0.05 0.00 0.00 175.22 176.55 1gru s ASN 68 N -3.21 6.16 -0.67 1.98 3.84 -0.94 -4.86 114.94 117.25 1gru s ASN 68 Ca 0.29 -1.36 -0.26 0.00 0.21 0.00 0.00 52.86 51.74 1gru s ASN 68 Cb 0.07 -2.20 -0.05 0.00 -0.55 0.00 0.00 41.25 38.52 1gru s ASN 68 CO 0.07 -0.69 2.06 -0.62 -2.79 0.00 0.00 177.10 175.12 1gru s ASP 69 N 2.74 4.92 0.00 -4.21 -1.08 -1.26 -4.86 116.67 112.92 1gru s ASP 69 Ca 0.05 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 1gru s ASP 69 Cb -0.25 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 1gru s ASP 69 CO 0.07 -2.72 0.00 0.61 0.52 0.00 0.00 175.17 173.64 1gru n GLY 70 N 6.13 6.21 0.12 2.66 0.00 -1.26 -5.04 105.19 114.01 1gru n GLY 70 Ca 0.31 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.16 0.00 1.61 3.20 -2.02 -3.19 116.97 116.41 1gru h TYR 71 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1gru h TYR 71 Cb 0.00 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1gru h TYR 71 CO 0.00 0.28 0.78 0.78 -1.64 0.00 0.00 178.16 178.35 1gru h GLY 72 N -0.70 0.00 -4.29 1.82 0.00 -1.95 -3.39 103.07 94.57 1gru h GLY 72 Ca -0.02 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.78 1gru h GLY 72 CO 0.03 0.00 0.19 0.14 0.00 0.00 0.00 176.54 176.90 1gru s VAL 73 N -3.98 4.51 0.43 4.60 1.01 -1.21 -4.35 120.40 121.41 1gru s VAL 73 Ca -0.01 1.70 0.04 0.00 0.00 0.00 0.00 61.98 63.71 1gru s VAL 73 Cb 0.03 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1gru s VAL 73 CO 0.09 0.45 0.13 -0.54 0.00 0.00 0.00 175.10 175.23 1gru s LYS 74 N -0.66 2.00 0.02 2.72 -0.14 -0.96 -4.92 119.74 117.79 1gru s LYS 74 Ca 0.38 -2.23 0.01 0.00 -1.36 0.00 0.00 55.97 52.76 1gru s LYS 74 Cb -0.22 -0.64 -0.01 0.00 -1.68 0.00 0.00 37.83 35.27 1gru s LYS 74 CO 0.25 -0.51 -0.05 0.45 -0.76 0.00 0.00 175.35 174.73 1gru s SER 75 N -3.65 0.54 0.19 2.83 0.15 -1.26 -2.49 113.70 110.01 1gru s SER 75 Ca 0.21 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.49 1gru s SER 75 Cb 0.02 0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1gru s SER 75 CO 0.14 -0.09 0.29 -1.61 1.20 0.00 0.00 173.24 173.18 1gru s GLU 76 N -0.78 1.25 -0.38 5.44 0.41 -1.09 -5.00 118.70 118.55 1gru s GLU 76 Ca -0.05 -1.29 -0.04 0.00 -0.41 0.00 0.00 54.97 53.19 1gru s GLU 76 Cb -0.05 0.38 0.09 0.00 -1.78 0.00 0.00 34.13 32.76 1gru s GLU 76 CO -0.00 -0.46 0.16 0.21 -0.49 0.00 0.00 175.26 174.68 1gru s LYS 77 N -4.02 2.23 -0.27 1.61 2.47 -1.26 -2.33 119.74 118.18 1gru s LYS 77 Ca 0.23 -1.60 -0.05 0.00 -1.56 0.00 0.00 55.97 52.98 1gru s LYS 77 Cb 0.03 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.88 1gru s LYS 77 CO 0.04 -0.93 0.03 0.42 0.16 0.00 0.00 175.35 175.08 1gru s ILE 78 N 1.23 3.73 -1.55 5.43 1.09 -0.41 -4.35 121.20 126.37 1gru s ILE 78 Ca 0.04 -0.64 0.00 0.00 -1.10 0.00 0.00 60.65 58.95 1gru s ILE 78 Cb -0.22 -2.85 0.00 0.00 -1.06 0.00 0.00 42.46 38.33 1gru s ILE 78 CO -0.02 0.20 0.00 0.47 -0.10 0.00 0.00 174.94 175.49 1gru n ASP 79 N 4.83 -5.02 -0.86 3.58 8.00 -1.26 -1.93 116.55 123.89 1gru n ASP 79 Ca -0.16 0.36 -0.02 0.00 0.71 0.00 0.00 54.79 55.69 1gru n ASP 79 Cb 0.49 -3.80 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 -0.66 -2.27 -4.03 -2.24 2.85 -1.26 -5.08 115.26 102.56 1gru n ASN 80 Ca -0.15 -0.05 -0.14 0.00 -0.11 0.00 0.00 54.58 54.14 1gru n ASN 80 Cb 0.52 -0.87 -0.12 0.00 1.24 0.00 0.00 39.78 40.55 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 -4.86 0.49 0.28 1.20 8.01 -0.81 -5.10 118.70 117.91 1gru s GLU 81 Ca 0.04 -0.58 -0.29 0.00 0.01 0.00 0.00 54.97 54.15 1gru s GLU 81 Cb -0.02 -0.32 -0.10 0.00 -4.31 0.00 0.00 34.13 29.39 1gru s GLU 81 CO 0.06 0.07 1.10 -1.21 0.01 0.00 0.00 175.26 175.29 1gru s GLU 82 N -1.12 4.64 0.03 1.61 0.41 -1.26 -1.29 118.70 121.73 1gru s GLU 82 Ca -0.06 1.80 -0.08 0.00 -0.41 0.00 0.00 54.97 56.22 1gru s GLU 82 Cb -0.07 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 1gru s GLU 82 CO 0.00 0.21 0.16 0.14 -0.49 0.00 0.00 175.26 175.29 1gru s VAL 83 N -1.15 0.11 0.09 2.63 -7.23 -0.98 -4.84 120.40 109.03 1gru s VAL 83 Ca 0.44 -0.89 0.09 0.00 -1.81 0.00 0.00 61.98 59.81 1gru s VAL 83 Cb -0.32 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1gru s VAL 83 CO 0.41 -0.49 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.75 1gru s LEU 84 N -1.93 2.57 -0.22 1.32 1.02 0.18 -2.68 118.68 118.94 1gru s LEU 84 Ca -0.07 -0.54 -0.03 0.00 0.02 0.00 0.00 54.13 53.50 1gru s LEU 84 Cb -0.03 -1.47 0.07 0.00 0.02 0.00 0.00 46.19 44.78 1gru s LEU 84 CO -0.03 0.21 0.07 -0.63 0.02 0.00 0.00 176.35 175.99 1gru s ILE 85 N -1.03 0.33 0.02 -0.59 1.01 -1.04 -0.55 121.20 119.35 1gru s ILE 85 Ca 0.16 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1gru s ILE 85 Cb -0.10 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 1gru s ILE 85 CO 0.07 -0.36 0.01 1.15 0.00 0.00 0.00 174.94 175.81 1gru n MET 86 N 5.11 0.48 -4.11 2.79 0.00 -1.08 -2.27 117.12 118.05 1gru n MET 86 Ca -0.07 -0.19 -0.23 0.00 0.00 0.00 0.00 57.70 57.22 1gru n MET 86 Cb 0.46 0.13 -0.05 0.00 0.00 0.00 0.00 33.22 33.76 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 -1.13 5.51 0.59 3.17 1.04 -1.26 0.24 113.70 121.86 1gru s SER 87 Ca 0.02 -0.23 0.29 0.00 0.48 0.00 0.00 55.95 56.50 1gru s SER 87 Cb 0.00 -1.41 1.41 0.00 0.10 0.00 0.00 66.02 66.12 1gru s SER 87 CO 0.01 -0.02 1.81 -0.08 0.98 0.00 0.00 173.24 175.94 1gru h GLU 88 N 1.65 0.00 -0.17 4.02 4.81 -1.76 0.36 114.58 123.49 1gru h GLU 88 Ca -0.48 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1gru h GLU 88 Cb 1.23 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 1gru h GLU 88 CO 0.61 0.00 -0.13 0.77 -0.73 0.00 0.00 179.01 179.53 1gru h SER 89 N 0.00 -0.43 0.12 1.04 0.02 -1.92 -1.38 113.55 111.00 1gru h SER 89 Ca 0.26 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1gru h SER 89 Cb 1.45 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 1gru h SER 89 CO -0.00 -0.17 -0.04 0.44 -1.14 0.00 0.00 176.83 175.91 1gru h ASP 90 N -0.14 0.00 -3.03 3.07 3.32 -0.65 -3.41 116.42 115.57 1gru h ASP 90 Ca 0.11 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.58 1gru h ASP 90 Cb 0.30 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1gru h ASP 90 CO -0.26 0.04 0.89 -0.63 -1.72 0.00 0.00 179.24 177.56 1gru s ILE 91 N -4.49 4.37 -0.13 0.35 1.01 -0.52 -2.21 121.20 119.58 1gru s ILE 91 Ca -0.04 1.63 -0.10 0.00 0.00 0.00 0.00 60.65 62.14 1gru s ILE 91 Cb 0.14 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1gru s ILE 91 CO 0.56 -0.25 0.10 -0.07 0.00 0.00 0.00 174.94 175.29 1gru h LEU 92 N 9.92 0.00 0.00 2.97 3.38 -1.55 -3.49 115.31 126.55 1gru h LEU 92 Ca -0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1gru h LEU 92 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1gru h LEU 92 CO 0.99 0.76 0.00 0.00 0.09 0.00 0.00 178.44 180.28 1gru n ALA 93 N -3.05 0.00 -3.17 1.53 0.00 -1.01 -5.01 120.51 109.79 1gru n ALA 93 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1gru n ALA 93 Cb 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.99 -0.02 -0.14 0.00 1.01 -1.26 -2.40 121.20 116.40 1gru s ILE 94 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 1gru s ILE 94 Cb 0.00 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.40 1gru s ILE 94 CO 0.00 0.03 0.60 -0.69 0.00 0.00 0.00 174.94 174.88 1gru s VAL 95 N 0.36 5.08 0.00 2.92 1.01 -0.06 -4.94 120.40 124.76 1gru s VAL 95 Ca -0.03 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1gru s VAL 95 Cb -0.04 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1gru s VAL 95 CO -0.01 0.21 0.00 -0.62 0.00 0.00 0.00 175.10 174.68 1gru n GLU 96 N 4.31 2.05 0.00 2.72 1.02 -1.26 -4.48 120.64 125.00 1gru n GLU 96 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1gru n GLU 96 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1gru n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31