#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm4 s PRO 2 N 0.00 1.96 0.46 0.00 0.04 -1.26 -4.96 135.00 131.24 1gm4 s PRO 2 Ca 0.00 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 1gm4 s PRO 2 Cb 0.00 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1gm4 s PRO 2 CO 0.00 -1.89 1.25 0.00 0.04 0.00 0.00 177.00 176.41 1gm4 s ALA 3 N -2.80 3.02 0.19 8.56 0.00 -1.26 -4.98 121.76 124.49 1gm4 s ALA 3 Ca 0.63 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1gm4 s ALA 3 Cb -0.19 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 1gm4 s ALA 3 CO 0.56 -0.88 1.09 0.54 0.00 0.00 0.00 175.76 177.07 1gm4 s VAL 4 N -1.40 3.83 0.29 0.00 0.11 -1.26 -4.96 120.40 117.00 1gm4 s VAL 4 Ca 0.63 1.62 -0.30 0.00 -2.93 0.00 0.00 61.98 61.00 1gm4 s VAL 4 Cb -0.34 -4.03 -0.13 0.00 -1.53 0.00 0.00 36.38 30.35 1gm4 s VAL 4 CO 0.42 0.30 1.39 -2.65 -3.33 0.00 0.00 175.10 171.23 1gm4 n PRO 5 N 2.19 2.17 -0.08 1.54 -0.02 -1.26 -4.90 135.00 134.64 1gm4 n PRO 5 Ca 0.02 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 1gm4 n PRO 5 Cb 0.46 -2.41 0.25 0.00 -0.02 0.00 0.00 33.50 31.77 1gm4 n PRO 5 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1gm4 n ASP 6 N 1.63 2.73 -4.08 2.55 5.75 -1.26 -4.65 116.55 119.22 1gm4 n ASP 6 Ca 0.09 -1.88 -0.11 0.00 -0.01 0.00 0.00 54.79 52.87 1gm4 n ASP 6 Cb 0.34 -0.11 -0.11 0.00 -1.03 0.00 0.00 41.12 40.21 1gm4 n ASP 6 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1gm4 s LYS 7 N -1.79 0.58 0.45 0.11 1.02 -1.26 -5.00 119.74 113.84 1gm4 s LYS 7 Ca 0.34 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 55.16 1gm4 s LYS 7 Cb 0.21 -0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.28 1gm4 s LYS 7 CO 0.30 -0.00 1.11 -2.30 -0.92 0.00 0.00 175.35 173.55 1gm4 n PRO 8 N 0.95 1.52 -4.40 -1.68 -0.02 -1.26 -4.75 135.00 125.36 1gm4 n PRO 8 Ca -0.19 0.55 -0.26 0.00 -2.02 0.00 0.00 63.50 61.57 1gm4 n PRO 8 Cb 0.57 -2.20 -0.11 0.00 -0.02 0.00 0.00 33.50 31.74 1gm4 n PRO 8 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1gm4 s VAL 9 N -1.28 2.55 0.13 -1.45 -7.23 -0.60 -4.85 120.40 107.68 1gm4 s VAL 9 Ca 0.64 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.53 1gm4 s VAL 9 Cb -0.52 -2.25 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 1gm4 s VAL 9 CO 0.56 -0.15 0.89 -1.61 -0.31 0.00 0.00 175.10 174.47 1gm4 s GLU 10 N -2.82 4.67 -0.56 4.82 2.02 -1.26 -0.12 118.70 125.46 1gm4 s GLU 10 Ca 0.23 1.33 -0.01 0.00 0.02 0.00 0.00 54.97 56.54 1gm4 s GLU 10 Cb -0.08 -3.34 0.14 0.00 0.10 0.00 0.00 34.13 30.96 1gm4 s GLU 10 CO 0.12 0.35 0.34 0.08 0.02 0.00 0.00 175.26 176.17 1gm4 s VAL 11 N -0.44 3.28 -0.01 2.63 1.01 0.45 -4.92 120.40 122.40 1gm4 s VAL 11 Ca 0.42 -2.94 -0.30 0.00 0.00 0.00 0.00 61.98 59.16 1gm4 s VAL 11 Cb -0.23 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1gm4 s VAL 11 CO 0.28 -0.82 0.99 -0.54 0.00 0.00 0.00 175.10 175.01 1gm4 s LYS 12 N 0.05 4.54 0.00 2.72 1.02 -1.26 -1.86 119.74 124.95 1gm4 s LYS 12 Ca 0.16 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1gm4 s LYS 12 Cb -0.22 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1gm4 s LYS 12 CO -0.03 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1gm4 n GLY 13 N 2.93 2.96 0.13 -3.33 0.00 -0.09 -4.98 105.19 102.81 1gm4 n GLY 13 Ca 0.06 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 1gm4 n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gm4 h SER 14 N 0.00 0.34 0.00 1.61 4.64 -1.97 -3.40 113.55 114.76 1gm4 h SER 14 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1gm4 h SER 14 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1gm4 h SER 14 CO 0.00 1.08 -0.87 0.00 -0.87 0.00 0.00 176.83 176.17 1gm4 n GLN 15 N -3.68 2.50 -4.37 4.77 6.02 -1.26 -5.08 117.38 116.29 1gm4 n GLN 15 Ca -0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 1gm4 n GLN 15 Cb 0.82 -0.94 -0.13 0.00 1.02 0.00 0.00 30.24 31.02 1gm4 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1gm4 s LYS 16 N -1.83 1.17 -0.11 -1.09 1.02 -1.26 -5.13 119.74 112.51 1gm4 s LYS 16 Ca 0.00 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 54.92 1gm4 s LYS 16 Cb 0.00 -1.38 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 1gm4 s LYS 16 CO 0.00 0.33 -0.20 0.99 -0.92 0.00 0.00 175.35 175.55 1gm4 s THR 17 N -1.07 2.42 -0.12 2.17 2.01 -1.26 -0.91 115.64 118.89 1gm4 s THR 17 Ca 0.06 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 1gm4 s THR 17 Cb -0.10 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1gm4 s THR 17 CO 0.03 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 1gm4 s VAL 18 N 0.35 3.29 0.05 3.82 1.01 -0.78 -4.92 120.40 123.23 1gm4 s VAL 18 Ca -0.16 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1gm4 s VAL 18 Cb -0.17 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1gm4 s VAL 18 CO 0.08 0.54 0.90 -0.04 0.00 0.00 0.00 175.10 176.57 1gm4 s MET 19 N 0.06 4.60 -0.25 2.72 -1.94 -1.26 -0.41 119.30 122.81 1gm4 s MET 19 Ca -0.04 1.30 -0.04 0.00 -1.71 0.00 0.00 55.69 55.20 1gm4 s MET 19 Cb -0.14 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.30 1gm4 s MET 19 CO 0.04 0.16 -0.01 0.12 -0.01 0.00 0.00 175.02 175.32 1gm4 s PHE 20 N 0.29 3.04 -0.29 -0.03 5.36 0.83 -4.89 117.98 122.29 1gm4 s PHE 20 Ca 0.45 -1.06 -0.14 0.00 -0.96 0.00 0.00 56.93 55.22 1gm4 s PHE 20 Cb -0.22 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1gm4 s PHE 20 CO 0.27 -0.59 0.35 -1.25 -1.46 0.00 0.00 175.22 172.54 1gm4 s PRO 21 N 1.46 3.86 0.21 10.12 0.04 -1.26 -1.56 135.00 147.87 1gm4 s PRO 21 Ca 0.04 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 60.88 1gm4 s PRO 21 Cb -0.16 -3.70 0.17 0.00 0.04 0.00 0.00 34.50 30.85 1gm4 s PRO 21 CO -0.02 -0.35 1.61 0.45 0.04 0.00 0.00 177.00 178.73 1gm4 h HIS 22 N 8.30 0.85 -0.49 0.56 3.86 -1.85 -3.34 115.15 123.04 1gm4 h HIS 22 Ca -0.31 -0.21 0.08 0.00 -1.16 0.00 0.00 60.37 58.76 1gm4 h HIS 22 Cb 1.16 -0.20 -0.10 0.00 1.06 0.00 0.00 27.41 29.33 1gm4 h HIS 22 CO 0.74 0.94 -0.41 0.00 0.86 0.00 0.00 177.93 180.05 1gm4 h ALA 23 N 1.05 -0.33 0.00 2.45 0.00 -1.93 0.27 119.26 120.77 1gm4 h ALA 23 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1gm4 h ALA 23 Cb 0.80 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1gm4 h ALA 23 CO 0.07 -0.82 0.00 -0.35 0.00 0.00 0.00 179.25 178.15 1gm4 n PRO 24 N -5.41 0.01 -0.51 0.00 -0.04 -1.25 -1.22 135.00 126.57 1gm4 n PRO 24 Ca 0.01 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1gm4 n PRO 24 Cb 0.35 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.62 1gm4 n PRO 24 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1gm4 n HIS 25 N -1.45 1.22 -0.34 0.54 8.25 0.94 -4.60 115.22 119.78 1gm4 n HIS 25 Ca 0.01 -0.63 0.20 0.00 -0.26 0.00 0.00 57.72 57.04 1gm4 n HIS 25 Cb 0.05 -0.21 0.43 0.00 1.12 0.00 0.00 29.99 31.37 1gm4 n HIS 25 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1gm4 h GLU 26 N 3.41 0.48 -0.96 -0.41 5.08 -0.99 -0.03 114.58 121.16 1gm4 h GLU 26 Ca 0.00 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 1gm4 h GLU 26 Cb 1.32 -0.11 -0.19 0.00 0.50 0.00 0.00 28.75 30.27 1gm4 h GLU 26 CO 0.19 0.32 0.41 1.63 -1.00 0.00 0.00 179.01 180.56 1gm4 n LYS 27 N -4.87 2.16 -5.12 2.33 4.01 -1.26 -4.79 118.16 110.61 1gm4 n LYS 27 Ca 0.28 -2.17 -0.31 0.00 -0.51 0.00 0.00 58.31 55.60 1gm4 n LYS 27 Cb 0.82 -1.87 -0.17 0.00 -0.51 0.00 0.00 35.03 33.30 1gm4 n LYS 27 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1gm4 s VAL 28 N -2.35 1.91 0.34 -0.18 1.01 -0.03 -5.10 120.40 116.00 1gm4 s VAL 28 Ca 0.41 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1gm4 s VAL 28 Cb 0.34 -1.66 -0.11 0.00 0.00 0.00 0.00 36.38 34.94 1gm4 s VAL 28 CO 0.08 0.53 1.54 -0.62 0.00 0.00 0.00 175.10 176.63 1gm4 n GLU 29 N 3.54 2.68 -0.25 2.72 1.02 -1.26 -4.88 120.64 124.21 1gm4 n GLU 29 Ca -0.20 0.95 0.05 0.00 -0.02 0.00 0.00 57.16 57.94 1gm4 n GLU 29 Cb 0.53 -2.70 0.18 0.00 -0.02 0.00 0.00 31.44 29.43 1gm4 n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gm4 h VAL 31 N 0.37 0.37 -0.84 0.00 3.04 -1.90 0.52 116.25 117.82 1gm4 h VAL 31 Ca 0.41 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 66.12 1gm4 h VAL 31 Cb 0.64 0.93 -0.05 0.00 -2.01 0.00 0.00 31.29 30.80 1gm4 h VAL 31 CO -0.43 0.00 0.54 0.74 -1.01 0.00 0.00 177.57 177.41 1gm4 h THR 32 N 0.00 1.15 0.00 3.17 2.02 -1.53 -3.01 112.91 114.72 1gm4 h THR 32 Ca 0.03 -0.37 -0.27 0.00 0.77 0.00 0.00 66.41 66.57 1gm4 h THR 32 Cb 0.20 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1gm4 h THR 32 CO -0.00 0.20 -1.73 0.00 0.37 0.00 0.00 175.52 174.36 1gm4 n HIS 34 N -4.37 3.80 -1.22 0.00 8.25 0.09 -4.98 115.22 116.78 1gm4 n HIS 34 Ca -0.36 -2.99 -0.31 0.00 -0.26 0.00 0.00 57.72 53.80 1gm4 n HIS 34 Cb 0.70 -2.19 0.10 0.00 1.12 0.00 0.00 29.99 29.72 1gm4 n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1gm4 s HIS 35 N 1.60 2.49 0.60 4.41 -3.43 -1.14 -4.11 115.29 115.71 1gm4 s HIS 35 Ca 0.43 1.52 -0.18 0.00 -0.80 0.00 0.00 55.06 56.03 1gm4 s HIS 35 Cb 0.06 -3.08 -0.03 0.00 -1.43 0.00 0.00 32.58 28.10 1gm4 s HIS 35 CO -0.00 -1.94 1.15 -0.51 -2.00 0.00 0.00 174.74 171.43 1gm4 s LEU 36 N -6.00 3.61 -0.07 5.38 1.43 -1.26 -4.31 118.68 117.45 1gm4 s LEU 36 Ca 0.62 2.19 -0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1gm4 s LEU 36 Cb -0.18 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.49 1gm4 s LEU 36 CO 0.56 -1.47 -0.03 -0.69 0.23 0.00 0.00 176.35 174.95 1gm4 s VAL 37 N -1.90 0.57 -1.46 -1.59 1.01 0.71 -4.75 120.40 112.99 1gm4 s VAL 37 Ca 0.72 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 1gm4 s VAL 37 Cb -0.25 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.53 1gm4 s VAL 37 CO 0.33 0.27 0.75 0.47 0.00 0.00 0.00 175.10 176.92 1gm4 n ASP 38 N 4.68 -5.37 0.00 3.32 8.00 -1.26 -0.48 116.55 125.44 1gm4 n ASP 38 Ca -0.15 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1gm4 n ASP 38 Cb 0.50 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 1gm4 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gm4 n GLY 39 N -1.55 2.16 3.91 0.44 0.00 -1.26 -4.97 105.19 103.92 1gm4 n GLY 39 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1gm4 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gm4 s LYS 40 N 0.00 3.42 0.31 1.61 1.02 0.36 -5.02 119.74 121.44 1gm4 s LYS 40 Ca 0.00 -0.45 -0.19 0.00 0.02 0.00 0.00 55.97 55.34 1gm4 s LYS 40 Cb 0.00 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.19 1gm4 s LYS 40 CO 0.00 0.61 0.80 -1.83 -0.92 0.00 0.00 175.35 174.01 1gm4 s GLU 41 N -2.51 4.21 -0.02 1.68 -1.05 -1.26 -0.21 118.70 119.54 1gm4 s GLU 41 Ca 0.35 0.92 -0.06 0.00 -0.15 0.00 0.00 54.97 56.03 1gm4 s GLU 41 Cb -0.13 -2.58 0.01 0.00 -0.44 0.00 0.00 34.13 30.98 1gm4 s GLU 41 CO 0.28 0.22 0.13 -1.54 0.95 0.00 0.00 175.26 175.29 1gm4 s SER 42 N -1.96 -0.05 -0.08 0.83 1.04 -1.26 -4.89 113.70 107.33 1gm4 s SER 42 Ca 0.51 0.02 0.12 0.00 0.48 0.00 0.00 55.95 57.08 1gm4 s SER 42 Cb -0.13 0.25 0.18 0.00 0.10 0.00 0.00 66.02 66.41 1gm4 s SER 42 CO 0.19 -0.21 1.08 -1.22 0.98 0.00 0.00 173.24 174.05 1gm4 n TYR 43 N 2.22 0.00 -1.14 5.02 4.02 -1.26 -4.61 117.16 121.42 1gm4 n TYR 43 Ca -0.18 -0.65 -0.31 0.00 -0.01 0.00 0.00 57.90 56.75 1gm4 n TYR 43 Cb 0.57 -0.11 0.11 0.00 -0.02 0.00 0.00 39.34 39.89 1gm4 n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gm4 s ALA 44 N -1.85 2.03 0.35 -0.72 0.00 -1.26 -4.94 121.76 115.38 1gm4 s ALA 44 Ca 0.20 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 1gm4 s ALA 44 Cb 0.17 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1gm4 s ALA 44 CO 0.02 -2.02 1.48 0.15 0.00 0.00 0.00 175.76 175.39 1gm4 s LYS 45 N -4.85 4.15 0.39 0.00 1.02 -1.26 -4.87 119.74 114.32 1gm4 s LYS 45 Ca 0.62 2.52 0.13 0.00 0.02 0.00 0.00 55.97 59.26 1gm4 s LYS 45 Cb -0.18 -3.00 0.94 0.00 -0.52 0.00 0.00 37.83 35.07 1gm4 s LYS 45 CO 0.57 -0.51 1.89 0.00 -0.92 0.00 0.00 175.35 176.38 1gm4 n GLY 47 N -1.48 -0.02 3.56 0.00 0.00 -1.26 -2.21 105.19 103.79 1gm4 n GLY 47 Ca 0.16 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1gm4 n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gm4 n SER 48 N 0.07 -0.08 -4.68 1.61 7.64 0.08 -4.28 113.62 113.98 1gm4 n SER 48 Ca 0.06 0.65 -0.42 0.00 1.01 0.00 0.00 58.87 60.18 1gm4 n SER 48 Cb 0.18 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.01 1gm4 n SER 48 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1gm4 s SER 49 N -1.55 6.60 0.00 6.43 0.01 -1.26 -1.39 113.70 122.53 1gm4 s SER 49 Ca 0.71 2.46 0.00 0.00 1.31 0.00 0.00 55.95 60.43 1gm4 s SER 49 Cb -0.35 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.32 1gm4 s SER 49 CO 0.53 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1gm4 n GLY 50 N 4.07 0.38 0.00 3.44 0.00 -1.26 -5.01 105.19 106.82 1gm4 n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1gm4 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm4 n HIS 52 N 0.00 2.45 1.27 0.00 8.25 -0.94 -4.68 115.22 121.58 1gm4 n HIS 52 Ca 0.00 -2.60 0.10 0.00 -0.26 0.00 0.00 57.72 54.96 1gm4 n HIS 52 Cb 0.00 -1.21 0.37 0.00 1.12 0.00 0.00 29.99 30.26 1gm4 n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1gm4 n ASP 53 N 0.79 1.53 -4.41 0.41 5.68 -0.92 -3.92 116.55 115.70 1gm4 n ASP 53 Ca 0.34 -1.71 -0.44 0.00 -0.50 0.00 0.00 54.79 52.47 1gm4 n ASP 53 Cb 0.31 -0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 40.14 1gm4 n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1gm4 s ASP 54 N -1.51 6.26 0.00 -1.12 -1.08 0.47 -4.85 116.67 114.84 1gm4 s ASP 54 Ca 0.31 -1.40 0.12 0.00 -0.52 0.00 0.00 52.55 51.06 1gm4 s ASP 54 Cb 0.16 -2.36 0.44 0.00 -1.46 0.00 0.00 42.92 39.71 1gm4 s ASP 54 CO 0.25 -1.22 1.32 0.18 0.52 0.00 0.00 175.17 176.22 1gm4 n LEU 55 N 6.81 1.16 -0.01 -1.34 4.77 -1.26 -2.06 117.00 125.07 1gm4 n LEU 55 Ca -0.02 -0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 55.41 1gm4 n LEU 55 Cb 0.45 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1gm4 n LEU 55 CO 0.59 0.27 -0.53 0.35 -1.33 0.00 0.00 177.39 176.74 1gm4 n THR 56 N 0.08 0.06 -2.02 -5.08 -2.24 -1.26 -3.57 114.28 100.25 1gm4 n THR 56 Ca 0.10 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.46 1gm4 n THR 56 Cb 0.21 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1gm4 n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gm4 s ALA 57 N -2.02 3.15 0.11 6.98 0.00 -1.26 -4.95 121.76 123.77 1gm4 s ALA 57 Ca -0.01 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1gm4 s ALA 57 Cb 0.00 -3.49 -0.19 0.00 0.00 0.00 0.00 23.12 19.44 1gm4 s ALA 57 CO 0.03 -0.92 1.25 0.87 0.00 0.00 0.00 175.76 176.99 1gm4 h LYS 58 N 2.38 0.16 -5.39 0.00 6.56 -1.97 -3.41 116.57 114.91 1gm4 h LYS 58 Ca -0.50 -0.25 -0.50 0.00 -1.06 0.00 0.00 60.65 58.35 1gm4 h LYS 58 Cb 1.26 0.09 -0.14 0.00 -0.57 0.00 0.00 32.23 32.87 1gm4 h LYS 58 CO 0.61 1.08 -0.64 0.15 -2.06 0.00 0.00 179.45 178.60 1gm4 s LYS 59 N -2.82 1.64 0.00 3.15 1.02 -1.26 -3.60 119.74 117.87 1gm4 s LYS 59 Ca -0.02 -1.88 0.00 0.00 0.02 0.00 0.00 55.97 54.09 1gm4 s LYS 59 Cb 0.09 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1gm4 s LYS 59 CO 0.85 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.61 1gm4 n GLY 60 N -0.67 2.55 0.31 -3.33 0.00 -1.26 -4.49 105.19 98.30 1gm4 n GLY 60 Ca -0.04 -1.70 0.17 0.00 0.00 0.00 0.00 46.02 44.46 1gm4 n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gm4 h GLU 61 N 0.00 0.00 0.00 1.61 4.22 -1.99 -1.55 114.58 116.87 1gm4 h GLU 61 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1gm4 h GLU 61 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gm4 h GLU 61 CO 0.00 0.02 0.00 0.87 -2.18 0.00 0.00 179.01 177.72 1gm4 h LYS 62 N 0.00 0.00 -6.20 1.92 6.56 -1.87 -3.43 116.57 113.55 1gm4 h LYS 62 Ca -0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 1gm4 h LYS 62 Cb 0.08 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.70 1gm4 h LYS 62 CO 0.00 0.00 0.74 0.45 -2.06 0.00 0.00 179.45 178.58 1gm4 s SER 63 N -4.68 7.09 0.29 0.86 0.15 -0.59 -0.40 113.70 116.43 1gm4 s SER 63 Ca 0.10 1.60 0.05 0.00 0.70 0.00 0.00 55.95 58.40 1gm4 s SER 63 Cb 0.11 -2.55 0.45 0.00 -1.71 0.00 0.00 66.02 62.33 1gm4 s SER 63 CO 0.59 -0.61 1.72 0.25 1.20 0.00 0.00 173.24 176.39 1gm4 h LEU 64 N 8.81 0.34 -0.04 3.45 5.85 -1.53 -2.88 115.31 129.29 1gm4 h LEU 64 Ca -0.28 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1gm4 h LEU 64 Cb 1.12 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1gm4 h LEU 64 CO 0.92 0.66 0.02 0.22 -0.34 0.00 0.00 178.44 179.93 1gm4 h TYR 65 N 0.28 0.06 -0.41 1.25 5.03 -1.80 -2.54 116.97 118.85 1gm4 h TYR 65 Ca 0.03 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1gm4 h TYR 65 Cb 0.74 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 1gm4 h TYR 65 CO 0.02 0.11 0.18 -0.92 -1.32 0.00 0.00 178.16 176.23 1gm4 h TYR 66 N -0.01 0.60 0.00 -3.82 3.20 -1.60 0.35 116.97 115.69 1gm4 h TYR 66 Ca 0.02 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1gm4 h TYR 66 Cb 0.07 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1gm4 h TYR 66 CO -0.05 0.51 0.00 -0.39 -1.64 0.00 0.00 178.16 176.59 1gm4 h VAL 67 N 0.52 0.00 0.07 1.81 -1.51 -1.46 0.34 116.25 116.02 1gm4 h VAL 67 Ca 0.14 -0.29 -0.36 0.00 -1.23 0.00 0.00 66.70 64.96 1gm4 h VAL 67 Cb 0.15 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.42 1gm4 h VAL 67 CO -0.02 0.00 -2.03 0.52 -1.23 0.00 0.00 177.57 174.81 1gm4 n VAL 68 N -2.73 1.66 0.14 7.19 0.31 -0.84 -4.13 118.33 119.93 1gm4 n VAL 68 Ca 0.00 -0.51 0.09 0.00 -0.01 0.00 0.00 64.34 63.91 1gm4 n VAL 68 Cb 0.22 -1.73 -0.14 0.00 -0.91 0.00 0.00 33.84 31.28 1gm4 n VAL 68 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1gm4 n HIS 69 N -3.65 0.00 -1.61 3.52 8.25 0.12 -2.60 115.22 119.25 1gm4 n HIS 69 Ca -0.37 0.00 -0.56 0.00 -0.26 0.00 0.00 57.72 56.53 1gm4 n HIS 69 Cb 0.96 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 31.65 1gm4 n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gm4 n ALA 70 N -2.02 -1.50 1.27 -1.41 0.00 0.10 -4.73 120.51 112.21 1gm4 n ALA 70 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1gm4 n ALA 70 Cb 0.45 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1gm4 n ALA 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1gm4 n ARG 71 N 3.02 0.80 -1.64 0.00 0.63 -1.26 -3.78 116.66 114.43 1gm4 n ARG 71 Ca 0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1gm4 n ARG 71 Cb 0.13 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 31.87 1gm4 n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gm4 n GLY 72 N 0.22 0.16 2.06 5.14 0.00 -1.26 -4.60 105.19 106.91 1gm4 n GLY 72 Ca 0.00 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1gm4 n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gm4 n GLU 73 N 0.00 -1.33 -2.46 1.61 1.02 -1.26 -4.99 120.64 113.24 1gm4 n GLU 73 Ca 0.00 0.78 -0.25 0.00 -0.02 0.00 0.00 57.16 57.67 1gm4 n GLU 73 Cb 0.00 -5.02 0.14 0.00 -0.02 0.00 0.00 31.44 26.55 1gm4 n GLU 73 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1gm4 s LEU 74 N -3.64 2.88 0.32 -4.62 1.43 -1.26 -4.98 118.68 108.81 1gm4 s LEU 74 Ca 0.00 -0.36 0.25 0.00 -1.03 0.00 0.00 54.13 53.00 1gm4 s LEU 74 Cb 0.00 -1.79 0.67 0.00 0.03 0.00 0.00 46.19 45.10 1gm4 s LEU 74 CO 0.00 -2.23 1.72 0.11 0.23 0.00 0.00 176.35 176.18 1gm4 h LYS 75 N -0.89 0.00 -4.04 1.70 1.57 -2.04 -3.45 116.57 109.41 1gm4 h LYS 75 Ca -0.37 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 1gm4 h LYS 75 Cb 1.25 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 1gm4 h LYS 75 CO 0.35 0.00 -0.58 -1.01 -0.57 0.00 0.00 179.45 177.64 1gm4 s HIS 76 N -3.18 0.36 0.06 -1.35 3.76 -1.26 -5.14 115.29 108.54 1gm4 s HIS 76 Ca 0.08 -0.82 -0.30 0.00 -0.15 0.00 0.00 55.06 53.87 1gm4 s HIS 76 Cb 0.09 -0.26 -0.05 0.00 1.11 0.00 0.00 32.58 33.48 1gm4 s HIS 76 CO 0.61 -0.40 1.06 0.99 -0.85 0.00 0.00 174.74 176.15 1gm4 s THR 77 N -3.52 4.40 0.62 1.30 2.01 -1.26 -4.97 115.64 114.22 1gm4 s THR 77 Ca 0.03 1.81 -0.03 0.00 0.31 0.00 0.00 61.69 63.80 1gm4 s THR 77 Cb 0.04 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1gm4 s THR 77 CO -0.09 0.19 0.89 -0.94 -0.69 0.00 0.00 174.62 173.98 1gm4 s SER 78 N 0.69 5.18 0.11 3.53 1.04 -1.26 -4.89 113.70 118.11 1gm4 s SER 78 Ca 0.53 0.34 -0.23 0.00 0.48 0.00 0.00 55.95 57.07 1gm4 s SER 78 Cb -0.25 -1.18 -0.08 0.00 0.10 0.00 0.00 66.02 64.61 1gm4 s SER 78 CO 0.30 -1.29 1.69 0.00 0.98 0.00 0.00 173.24 174.92 1gm4 h LEU 80 N -0.19 0.36 0.04 0.00 -0.00 -1.74 -1.03 115.31 112.75 1gm4 h LEU 80 Ca 0.04 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1gm4 h LEU 80 Cb 0.24 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1gm4 h LEU 80 CO -0.12 0.56 -0.02 0.00 -0.00 0.00 0.00 178.44 178.87 1gm4 h ALA 81 N 1.48 -0.05 -0.37 1.53 0.00 -1.58 -1.16 119.26 119.10 1gm4 h ALA 81 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1gm4 h ALA 81 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1gm4 h ALA 81 CO 0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 179.25 178.73 1gm4 h HIS 83 N 0.55 0.84 -0.71 0.00 -0.00 -1.12 -0.87 115.15 113.85 1gm4 h HIS 83 Ca 0.09 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1gm4 h HIS 83 Cb 0.68 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.78 1gm4 h HIS 83 CO 0.06 0.44 0.25 0.66 -0.00 0.00 0.00 177.93 179.33 1gm4 h SER 84 N 0.83 1.01 -0.65 2.45 4.64 -1.09 0.80 113.55 121.54 1gm4 h SER 84 Ca 0.34 -0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1gm4 h SER 84 Cb 0.26 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 1gm4 h SER 84 CO -0.12 0.94 0.13 0.11 -0.87 0.00 0.00 176.83 177.01 1gm4 h LYS 85 N 1.03 1.08 -0.40 4.77 1.57 -1.14 -0.77 116.57 122.71 1gm4 h LYS 85 Ca 0.23 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1gm4 h LYS 85 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1gm4 h LYS 85 CO -0.01 0.98 -0.03 0.28 -0.57 0.00 0.00 179.45 180.09 1gm4 h VAL 86 N 1.02 1.27 -0.22 0.50 2.07 -0.81 -2.95 116.25 117.12 1gm4 h VAL 86 Ca 0.21 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1gm4 h VAL 86 Cb 0.41 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1gm4 h VAL 86 CO 0.01 0.36 -0.14 0.58 0.02 0.00 0.00 177.57 178.40 1gm4 h VAL 87 N 0.55 1.21 -0.72 2.57 2.07 -0.63 0.28 116.25 121.57 1gm4 h VAL 87 Ca 0.11 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1gm4 h VAL 87 Cb 0.53 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1gm4 h VAL 87 CO 0.03 0.30 0.47 0.00 0.02 0.00 0.00 177.57 178.39 1gm4 h ALA 88 N 1.52 1.47 0.00 1.67 0.00 -0.97 -1.52 119.26 121.43 1gm4 h ALA 88 Ca 0.06 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1gm4 h ALA 88 Cb 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1gm4 h ALA 88 CO 0.03 0.48 -1.35 0.93 0.00 0.00 0.00 179.25 179.34 1gm4 h GLU 89 N 0.98 0.00 -2.40 0.00 5.08 -1.42 -3.39 114.58 113.43 1gm4 h GLU 89 Ca 0.26 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.03 1gm4 h GLU 89 Cb -0.11 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.74 1gm4 h GLU 89 CO -0.06 0.52 -0.79 1.63 -1.00 0.00 0.00 179.01 179.31 1gm4 n LYS 90 N -3.07 1.46 0.16 2.33 5.02 0.05 -4.97 118.16 119.14 1gm4 n LYS 90 Ca -0.09 -3.99 0.18 0.00 -2.02 0.00 0.00 58.31 52.39 1gm4 n LYS 90 Cb 0.93 -1.90 0.80 0.00 -0.02 0.00 0.00 35.03 34.84 1gm4 n LYS 90 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1gm4 h PRO 91 N 4.72 0.00 0.00 1.97 0.13 -1.50 -1.42 132.00 135.90 1gm4 h PRO 91 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1gm4 h PRO 91 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1gm4 h PRO 91 CO 0.63 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.55 1gm4 n GLU 92 N -3.77 0.10 -0.22 0.86 0.00 -1.26 -2.09 120.64 114.25 1gm4 n GLU 92 Ca 0.04 0.48 0.11 0.00 0.00 0.00 0.00 57.16 57.79 1gm4 n GLU 92 Cb 0.43 -1.74 0.22 0.00 0.00 0.00 0.00 31.44 30.35 1gm4 n GLU 92 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1gm4 n LEU 93 N -1.94 3.47 -0.04 -1.84 4.77 -0.53 -4.68 117.00 116.21 1gm4 n LEU 93 Ca 0.01 -1.62 -0.14 0.00 -0.03 0.00 0.00 56.01 54.22 1gm4 n LEU 93 Cb 0.10 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1gm4 n LEU 93 CO 0.11 0.78 0.50 0.50 -1.33 0.00 0.00 177.39 177.95 1gm4 h LYS 94 N 4.15 -0.50 -0.31 3.23 3.64 -1.59 0.46 116.57 125.65 1gm4 h LYS 94 Ca 0.00 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1gm4 h LYS 94 Cb 0.95 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1gm4 h LYS 94 CO 0.00 -0.33 0.10 -0.22 -2.27 0.00 0.00 179.45 176.73 1gm4 h LYS 95 N -0.52 0.47 -0.52 1.90 3.64 -1.85 0.84 116.57 120.53 1gm4 h LYS 95 Ca 0.04 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1gm4 h LYS 95 Cb 0.64 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1gm4 h LYS 95 CO -0.46 0.51 0.09 -0.44 -2.27 0.00 0.00 179.45 176.88 1gm4 h ASP 96 N 0.34 -0.04 0.48 4.20 5.19 -1.75 -0.07 116.42 124.77 1gm4 h ASP 96 Ca 0.10 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1gm4 h ASP 96 Cb 0.23 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1gm4 h ASP 96 CO -0.00 0.00 -1.54 0.18 -3.12 0.00 0.00 179.24 174.76 1gm4 n LEU 97 N -5.14 0.43 0.00 1.55 4.77 0.12 -0.34 117.00 118.39 1gm4 n LEU 97 Ca 0.06 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1gm4 n LEU 97 Cb 0.27 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1gm4 n LEU 97 CO 0.19 -0.06 -0.15 0.35 -1.33 0.00 0.00 177.39 176.39 1gm4 n THR 98 N -2.50 0.00 -1.72 -5.08 -2.24 0.28 -4.91 114.28 98.11 1gm4 n THR 98 Ca -0.04 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1gm4 n THR 98 Cb 0.60 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.63 1gm4 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gm4 n GLY 99 N 1.32 0.88 0.22 3.38 0.00 -0.04 -4.91 105.19 106.03 1gm4 n GLY 99 Ca 0.00 0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.51 1gm4 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm4 s ALA 101 N -3.26 -0.14 -1.51 0.00 0.00 -1.26 -4.82 121.76 110.77 1gm4 s ALA 101 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 1gm4 s ALA 101 Cb 0.06 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1gm4 s ALA 101 CO 0.65 -0.16 0.45 1.63 0.00 0.00 0.00 175.76 178.33 1gm4 n LYS 102 N 1.83 -3.95 -3.49 0.00 5.02 0.36 -4.97 118.16 112.96 1gm4 n LYS 102 Ca -0.21 0.83 -0.24 0.00 -2.02 0.00 0.00 58.31 56.67 1gm4 n LYS 102 Cb 0.56 -5.62 0.03 0.00 -0.02 0.00 0.00 35.03 29.98 1gm4 n LYS 102 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1gm4 n SER 103 N -2.35 2.51 0.22 4.39 3.41 -0.06 -4.71 113.62 117.03 1gm4 n SER 103 Ca -0.12 -2.77 0.10 0.00 -0.26 0.00 0.00 58.87 55.82 1gm4 n SER 103 Cb 0.62 -0.23 0.41 0.00 -0.26 0.00 0.00 64.21 64.75 1gm4 n SER 103 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1gm4 h LYS 104 N 0.00 0.00 0.13 4.33 1.79 -0.90 -2.82 116.57 119.10 1gm4 h LYS 104 Ca -0.32 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.81 1gm4 h LYS 104 Cb 1.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1gm4 h LYS 104 CO 0.48 0.21 -1.82 0.00 -1.08 0.00 0.00 179.45 177.25 1gm4 s HIS 106 N -2.54 3.37 -1.82 0.00 3.76 -1.22 -4.60 115.29 112.24 1gm4 s HIS 106 Ca -0.21 -3.25 0.00 0.00 -0.15 0.00 0.00 55.06 51.45 1gm4 s HIS 106 Cb 0.06 -2.69 0.00 0.00 1.11 0.00 0.00 32.58 31.06 1gm4 s HIS 106 CO 0.77 -0.62 0.45 -2.30 -0.85 0.00 0.00 174.74 172.20