#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j95 n HIS 25 N 0.00 0.00 1.20 1.47 -0.00 -1.26 -3.89 115.22 112.74 1j95 n HIS 25 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 1j95 n HIS 25 Cb 0.00 -0.01 0.43 0.00 -0.00 0.00 0.00 29.99 30.40 1j95 n HIS 25 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1j95 n TRP 26 N -0.44 0.00 0.48 -1.40 7.02 -1.26 -2.16 117.44 119.67 1j95 n TRP 26 Ca 0.08 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.68 1j95 n TRP 26 Cb 0.43 -0.21 0.17 0.00 -2.42 0.00 0.00 31.31 29.28 1j95 n TRP 26 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1j95 h ARG 27 N 0.58 0.00 0.00 -0.99 3.08 -1.99 -2.13 114.38 112.94 1j95 h ARG 27 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1j95 h ARG 27 Cb 0.46 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1j95 h ARG 27 CO 0.00 0.00 -1.82 0.00 -1.07 0.00 0.00 179.97 177.08 1j95 n ALA 28 N -1.90 1.92 0.02 0.04 0.00 -1.09 -3.26 120.51 116.24 1j95 n ALA 28 Ca 0.03 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 1j95 n ALA 28 Cb 0.46 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 1j95 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j95 h ALA 29 N 1.36 -0.13 0.00 0.00 0.00 -1.39 -2.91 119.26 116.20 1j95 h ALA 29 Ca -0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1j95 h ALA 29 Cb 1.72 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1j95 h ALA 29 CO 0.04 -0.23 0.00 0.78 0.00 0.00 0.00 179.25 179.83 1j95 h GLY 30 N -0.81 0.00 1.92 0.00 0.00 -1.57 -1.42 103.07 101.19 1j95 h GLY 30 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1j95 h GLY 30 CO 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 176.09 1j95 h ALA 31 N 2.10 1.15 0.27 3.60 0.00 -1.50 -2.41 119.26 122.47 1j95 h ALA 31 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1j95 h ALA 31 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j95 h ALA 31 CO 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 1j95 h ALA 32 N 1.45 -0.36 -0.37 0.00 0.00 -1.07 -1.91 119.26 117.01 1j95 h ALA 32 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1j95 h ALA 32 Cb 0.86 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1j95 h ALA 32 CO 0.07 -0.43 -0.25 1.15 0.00 0.00 0.00 179.25 179.79 1j95 h THR 33 N -0.92 0.00 -0.36 0.00 2.02 -1.48 0.89 112.91 113.07 1j95 h THR 33 Ca -0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1j95 h THR 33 Cb 0.50 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 1j95 h THR 33 CO 0.06 0.00 -0.40 0.58 0.37 0.00 0.00 175.52 176.13 1j95 h VAL 34 N -0.04 0.15 -0.01 3.16 2.07 -1.54 -1.50 116.25 118.54 1j95 h VAL 34 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1j95 h VAL 34 Cb 0.19 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1j95 h VAL 34 CO -0.37 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.48 1j95 h LEU 35 N -0.33 0.00 0.14 2.57 5.85 -0.21 -3.11 115.31 120.23 1j95 h LEU 35 Ca 0.14 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.60 1j95 h LEU 35 Cb 0.58 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1j95 h LEU 35 CO -0.54 0.00 -1.27 0.25 -0.34 0.00 0.00 178.44 176.55 1j95 h LEU 36 N 0.00 0.47 -2.09 2.25 5.85 0.17 -3.08 115.31 118.88 1j95 h LEU 36 Ca 0.01 -0.90 0.06 0.00 0.84 0.00 0.00 57.88 57.89 1j95 h LEU 36 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1j95 h LEU 36 CO -0.00 1.57 0.33 0.58 -0.34 0.00 0.00 178.44 180.58 1j95 h VAL 37 N -0.25 0.25 0.18 1.05 2.07 -1.27 0.18 116.25 118.46 1j95 h VAL 37 Ca -0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1j95 h VAL 37 Cb 1.79 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1j95 h VAL 37 CO 0.12 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 178.02 1j95 h ILE 38 N 0.00 0.45 -0.75 4.57 2.04 -1.60 -2.64 117.51 119.58 1j95 h ILE 38 Ca 0.09 -1.04 0.22 0.00 1.00 0.00 0.00 64.86 65.14 1j95 h ILE 38 Cb 0.75 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1j95 h ILE 38 CO -0.00 0.13 0.59 0.58 0.00 0.00 0.00 178.15 179.45 1j95 h VAL 39 N -1.00 0.50 0.07 1.67 2.07 -0.63 1.63 116.25 120.56 1j95 h VAL 39 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j95 h VAL 39 Cb 0.40 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1j95 h VAL 39 CO 0.04 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.53 1j95 h LEU 40 N 0.00 -0.08 -0.94 2.57 3.38 -1.10 0.23 115.31 119.39 1j95 h LEU 40 Ca 0.36 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.56 1j95 h LEU 40 Cb 1.54 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.18 1j95 h LEU 40 CO -0.00 0.00 0.47 -0.07 0.09 0.00 0.00 178.44 178.93 1j95 h LEU 41 N -0.20 0.46 0.00 1.67 3.38 -0.94 3.66 115.31 123.34 1j95 h LEU 41 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1j95 h LEU 41 Cb 0.07 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1j95 h LEU 41 CO 0.02 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1j95 n ALA 42 N -2.42 -0.20 0.24 1.53 0.00 0.55 -1.35 120.51 118.85 1j95 n ALA 42 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.76 1j95 n ALA 42 Cb 0.69 0.06 0.60 0.00 0.00 0.00 0.00 19.45 20.80 1j95 n ALA 42 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1j95 h GLY 43 N 0.00 0.00 0.60 0.00 0.00 -0.44 1.40 103.07 104.63 1j95 h GLY 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j95 h GLY 43 CO 0.00 0.00 -0.38 0.23 0.00 0.00 0.00 176.54 176.39 1j95 h SER 44 N 0.00 -1.04 0.07 0.19 0.87 0.69 0.67 113.55 114.99 1j95 h SER 44 Ca -0.00 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1j95 h SER 44 Cb 0.22 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1j95 h SER 44 CO 0.02 -0.53 -0.03 0.22 -0.53 0.00 0.00 176.83 175.97 1j95 h TYR 45 N -0.79 -0.09 -1.17 2.24 3.20 -0.82 -2.83 116.97 116.72 1j95 h TYR 45 Ca -0.03 -0.00 0.34 0.00 3.14 0.00 0.00 58.73 62.18 1j95 h TYR 45 Cb 0.71 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.91 1j95 h TYR 45 CO -0.22 0.49 0.78 1.25 -1.64 0.00 0.00 178.16 178.82 1j95 h LEU 46 N -0.85 0.29 0.03 2.82 5.85 0.19 -2.61 115.31 121.03 1j95 h LEU 46 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1j95 h LEU 46 Cb 0.62 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1j95 h LEU 46 CO 0.02 -0.01 -0.01 0.00 -0.34 0.00 0.00 178.44 178.09 1j95 h ALA 47 N 1.56 -0.04 -1.54 1.25 0.00 0.33 -3.26 119.26 117.55 1j95 h ALA 47 Ca 0.66 -0.32 0.45 0.00 0.00 0.00 0.00 54.91 55.70 1j95 h ALA 47 Cb 2.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 1j95 h ALA 47 CO -0.27 -0.06 1.13 -0.24 0.00 0.00 0.00 179.25 179.81 1j95 h VAL 48 N -0.96 0.21 0.31 0.00 3.04 -1.20 -0.30 116.25 117.35 1j95 h VAL 48 Ca -0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1j95 h VAL 48 Cb 0.65 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1j95 h VAL 48 CO 0.01 0.00 -0.15 -0.07 -1.01 0.00 0.00 177.57 176.35 1j95 h LEU 49 N 0.00 -0.35 -1.05 3.16 3.38 -1.64 -0.18 115.31 118.62 1j95 h LEU 49 Ca 0.73 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.68 1j95 h LEU 49 Cb 2.98 0.09 0.00 0.00 0.09 0.00 0.00 40.66 43.82 1j95 h LEU 49 CO -0.01 0.10 0.05 0.00 0.09 0.00 0.00 178.44 178.67 1j95 n ALA 50 N -2.73 0.96 -0.24 1.53 0.00 -0.22 -3.60 120.51 116.20 1j95 n ALA 50 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1j95 n ALA 50 Cb 0.18 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1j95 n ALA 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j95 n GLU 51 N -2.06 0.00 -0.72 0.00 4.07 -0.60 -4.45 120.64 116.88 1j95 n GLU 51 Ca -0.01 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.79 1j95 n GLU 51 Cb 0.07 -0.34 -0.05 0.00 -0.06 0.00 0.00 31.44 31.06 1j95 n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1j95 n ARG 52 N -2.24 0.00 0.00 5.31 0.63 -0.08 -1.97 116.66 118.30 1j95 n ARG 52 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1j95 n ARG 52 Cb 0.00 -0.70 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1j95 n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j95 n GLY 53 N 2.61 1.38 3.85 5.14 0.00 -1.26 -4.93 105.19 111.98 1j95 n GLY 53 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1j95 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j95 s ALA 54 N -1.69 2.87 0.53 4.61 0.00 -0.83 -4.98 121.76 122.25 1j95 s ALA 54 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 1j95 s ALA 54 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 1j95 s ALA 54 CO 0.00 -1.01 1.15 -2.30 0.00 0.00 0.00 175.76 173.60 1j95 n PRO 55 N -2.97 1.38 -1.92 0.00 -0.02 -1.26 -2.28 135.00 127.94 1j95 n PRO 55 Ca 0.07 0.51 -0.17 0.00 -2.02 0.00 0.00 63.50 61.89 1j95 n PRO 55 Cb 0.54 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1j95 n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j95 n GLY 56 N 1.02 0.64 3.76 -1.23 0.00 -1.26 -4.93 105.19 103.20 1j95 n GLY 56 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1j95 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j95 s ALA 57 N -2.64 2.57 0.00 4.61 0.00 -0.96 -4.82 121.76 120.52 1j95 s ALA 57 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1j95 s ALA 57 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1j95 s ALA 57 CO 0.00 -1.07 0.00 1.04 0.00 0.00 0.00 175.76 175.73 1j95 n GLN 58 N -1.62 0.00 -1.32 0.00 6.02 -1.26 -4.86 117.38 114.33 1j95 n GLN 58 Ca 0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.74 1j95 n GLN 58 Cb 0.50 -0.57 -0.02 0.00 1.02 0.00 0.00 30.24 31.17 1j95 n GLN 58 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1j95 n LEU 59 N -1.74 7.67 0.01 1.08 4.77 -1.26 -4.48 117.00 123.06 1j95 n LEU 59 Ca 0.00 -4.07 -0.18 0.00 -0.03 0.00 0.00 56.01 51.73 1j95 n LEU 59 Cb 0.09 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 39.54 1j95 n LEU 59 CO 0.00 1.57 -0.68 0.40 -1.33 0.00 0.00 177.39 177.35 1j95 h ILE 60 N 3.34 0.74 -2.96 -0.08 2.04 -1.89 -3.29 117.51 115.42 1j95 h ILE 60 Ca 0.74 -2.47 -0.47 0.00 1.00 0.00 0.00 64.86 63.66 1j95 h ILE 60 Cb 0.36 2.53 0.03 0.00 -0.74 0.00 0.00 36.82 39.00 1j95 h ILE 60 CO 1.78 0.80 -0.06 -0.89 0.00 0.00 0.00 178.15 179.78 1j95 s THR 61 N -2.57 4.30 -0.06 -0.27 2.01 -1.26 -4.85 115.64 112.93 1j95 s THR 61 Ca -0.17 -0.35 -0.27 0.00 0.31 0.00 0.00 61.69 61.22 1j95 s THR 61 Cb 0.07 -3.60 -0.22 0.00 0.01 0.00 0.00 72.50 68.76 1j95 s THR 61 CO 0.80 -0.46 1.11 0.10 -0.69 0.00 0.00 174.62 175.48 1j95 h TYR 62 N 0.38 0.01 0.00 4.92 -0.00 -1.95 -2.73 116.97 117.60 1j95 h TYR 62 Ca -0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.26 1j95 h TYR 62 Cb 1.24 -0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1j95 h TYR 62 CO 0.48 0.65 0.00 -0.35 -0.00 0.00 0.00 178.16 178.94 1j95 n PRO 63 N -4.77 0.11 -0.05 0.10 -0.04 -1.26 -0.71 135.00 128.37 1j95 n PRO 63 Ca -0.09 0.47 -0.02 0.00 -0.04 0.00 0.00 63.50 63.82 1j95 n PRO 63 Cb 0.32 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 1j95 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j95 h ARG 64 N 0.00 0.00 0.00 0.54 3.08 -1.95 -2.74 114.38 113.31 1j95 h ARG 64 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j95 h ARG 64 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1j95 h ARG 64 CO 0.00 0.15 0.08 0.00 -1.07 0.00 0.00 179.97 179.13 1j95 n ALA 65 N -2.82 0.91 -0.06 0.04 0.00 -0.96 -0.18 120.51 117.44 1j95 n ALA 65 Ca -0.02 0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.48 1j95 n ALA 65 Cb 0.09 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1j95 n ALA 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j95 h LEU 66 N 0.00 0.00 -1.35 0.00 5.85 -0.95 -3.14 115.31 115.71 1j95 h LEU 66 Ca 0.00 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1j95 h LEU 66 Cb 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1j95 h LEU 66 CO 0.00 0.78 0.22 -0.25 -0.34 0.00 0.00 178.44 178.84 1j95 h TRP 67 N -1.00 0.65 0.28 1.25 2.91 -0.73 -2.93 115.95 116.38 1j95 h TRP 67 Ca -0.02 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.98 1j95 h TRP 67 Cb 0.53 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1j95 h TRP 67 CO 0.12 0.49 -0.40 2.35 -1.03 0.00 0.00 178.44 179.97 1j95 h TRP 68 N 0.66 -1.13 -0.90 2.65 7.01 -0.68 -1.70 115.95 121.86 1j95 h TRP 68 Ca 0.16 0.02 0.23 0.00 2.11 0.00 0.00 58.89 61.41 1j95 h TRP 68 Cb 0.09 0.45 -0.13 0.00 -2.10 0.00 0.00 29.16 27.47 1j95 h TRP 68 CO 0.01 -0.50 0.37 0.66 -2.79 0.00 0.00 178.44 176.19 1j95 h SER 69 N -0.71 0.27 -0.38 2.65 4.64 -1.46 0.43 113.55 118.99 1j95 h SER 69 Ca -0.03 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1j95 h SER 69 Cb 0.64 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1j95 h SER 69 CO -0.11 -0.05 0.22 0.58 -0.87 0.00 0.00 176.83 176.60 1j95 h VAL 70 N 0.35 1.13 0.00 0.95 2.07 -1.36 0.43 116.25 119.82 1j95 h VAL 70 Ca 0.57 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1j95 h VAL 70 Cb 1.13 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1j95 h VAL 70 CO -0.56 0.13 0.00 -0.08 0.02 0.00 0.00 177.57 177.08 1j95 h GLU 71 N 0.49 0.00 0.07 1.57 4.81 0.22 -3.08 114.58 118.66 1j95 h GLU 71 Ca 0.13 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.99 1j95 h GLU 71 Cb 0.02 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1j95 h GLU 71 CO -0.02 0.00 -2.13 2.41 -0.73 0.00 0.00 179.01 178.53 1j95 n THR 72 N -2.88 1.66 0.51 0.32 -1.04 0.12 -1.26 114.28 111.72 1j95 n THR 72 Ca 0.02 -0.58 0.08 0.00 -2.04 0.00 0.00 64.05 61.53 1j95 n THR 72 Cb 0.36 -1.66 0.34 0.00 -1.82 0.00 0.00 70.33 67.56 1j95 n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j95 n ALA 73 N -3.16 1.70 -0.05 2.41 0.00 0.15 -1.59 120.51 119.96 1j95 n ALA 73 Ca -0.38 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.07 1j95 n ALA 73 Cb 1.00 -1.26 0.12 0.00 0.00 0.00 0.00 19.45 19.30 1j95 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j95 n THR 74 N -1.58 0.81 -2.85 0.00 -2.24 -1.17 -3.61 114.28 103.64 1j95 n THR 74 Ca 0.04 -0.90 -0.19 0.00 -2.27 0.00 0.00 64.05 60.72 1j95 n THR 74 Cb 0.18 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1j95 n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j95 n THR 75 N 0.42 -1.05 -0.08 4.28 -2.24 -0.62 -4.88 114.28 110.11 1j95 n THR 75 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1j95 n THR 75 Cb 0.37 -2.25 -0.07 0.00 -2.10 0.00 0.00 70.33 66.28 1j95 n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1j95 h VAL 76 N -0.60 0.74 -6.41 2.28 2.07 -1.64 -3.49 116.25 109.20 1j95 h VAL 76 Ca -0.40 -1.70 -0.43 0.00 0.82 0.00 0.00 66.70 64.99 1j95 h VAL 76 Cb 1.28 1.55 0.03 0.00 -1.52 0.00 0.00 31.29 32.63 1j95 h VAL 76 CO 0.47 0.25 -0.88 0.61 0.02 0.00 0.00 177.57 178.04 1j95 n GLY 77 N 1.60 -1.08 0.34 2.17 0.00 -0.38 -4.81 105.19 103.02 1j95 n GLY 77 Ca -0.13 0.47 0.18 0.00 0.00 0.00 0.00 46.02 46.54 1j95 n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1j95 h TYR 78 N -1.35 0.00 0.00 1.61 -1.99 -1.92 -3.45 116.97 109.87 1j95 h TYR 78 Ca -0.59 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.14 1j95 h TYR 78 Cb 1.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.07 1j95 h TYR 78 CO 0.30 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.87 1j95 n GLY 79 N -1.18 0.56 0.06 3.88 0.00 -1.26 -4.93 105.19 102.31 1j95 n GLY 79 Ca -0.02 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.32 1j95 n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j95 n ASP 80 N 1.76 0.66 -3.74 1.61 5.75 -1.26 -4.87 116.55 116.46 1j95 n ASP 80 Ca 0.00 0.05 -0.13 0.00 -0.01 0.00 0.00 54.79 54.70 1j95 n ASP 80 Cb 0.40 0.61 -0.10 0.00 -1.03 0.00 0.00 41.12 41.00 1j95 n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1j95 s LEU 81 N -4.47 0.53 -0.00 -2.12 1.02 -1.26 -5.03 118.68 107.34 1j95 s LEU 81 Ca 0.02 0.77 -0.30 0.00 0.02 0.00 0.00 54.13 54.64 1j95 s LEU 81 Cb 0.13 1.33 0.10 0.00 0.02 0.00 0.00 46.19 47.77 1j95 s LEU 81 CO 0.78 -0.14 1.08 -0.72 0.02 0.00 0.00 176.35 177.38 1j95 s TYR 82 N 0.18 -0.16 0.31 0.29 -0.85 -1.26 -4.95 117.35 110.91 1j95 s TYR 82 Ca -0.00 0.00 -0.14 0.00 -0.52 0.00 0.00 57.07 56.41 1j95 s TYR 82 Cb -0.03 0.56 -0.09 0.00 0.38 0.00 0.00 41.96 42.79 1j95 s TYR 82 CO 0.01 -0.48 0.71 -1.25 -1.52 0.00 0.00 175.55 173.02 1j95 s PRO 83 N -2.83 3.95 0.00 -3.49 0.04 -1.26 -4.46 135.00 126.96 1j95 s PRO 83 Ca 0.10 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1j95 s PRO 83 Cb 0.00 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1j95 s PRO 83 CO -0.04 0.17 0.06 1.33 0.04 0.00 0.00 177.00 178.57 1j95 n VAL 84 N -0.40 0.00 -3.16 -0.36 0.24 -1.26 -4.87 118.33 108.51 1j95 n VAL 84 Ca 0.03 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.34 61.49 1j95 n VAL 84 Cb 0.53 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 1j95 n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1j95 s THR 85 N -0.76 5.06 -0.51 3.34 -4.23 -1.26 -4.93 115.64 112.35 1j95 s THR 85 Ca 0.00 1.13 0.06 0.00 -1.18 0.00 0.00 61.69 61.70 1j95 s THR 85 Cb 0.00 -3.91 0.06 0.00 1.34 0.00 0.00 72.50 69.98 1j95 s THR 85 CO 0.00 0.17 1.09 0.00 -0.54 0.00 0.00 174.62 175.33 1j95 n LEU 86 N 4.67 0.16 -0.09 4.79 -0.00 -1.26 -0.37 117.00 124.90 1j95 n LEU 86 Ca -0.03 0.47 -0.11 0.00 -0.00 0.00 0.00 56.01 56.34 1j95 n LEU 86 Cb 0.50 -0.47 -0.04 0.00 -0.00 0.00 0.00 43.42 43.40 1j95 n LEU 86 CO 0.44 -0.53 -0.60 1.87 -0.00 0.00 0.00 177.39 178.57 1j95 n TRP 87 N -1.65 0.57 0.13 1.47 -0.00 -1.26 -4.21 117.44 112.48 1j95 n TRP 87 Ca -0.00 0.25 0.18 0.00 -0.00 0.00 0.00 57.50 57.92 1j95 n TRP 87 Cb 0.15 -0.77 0.76 0.00 -0.00 0.00 0.00 31.31 31.45 1j95 n TRP 87 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1j95 h GLY 88 N -1.00 0.00 2.00 5.87 0.00 -1.50 0.31 103.07 108.75 1j95 h GLY 88 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1j95 h GLY 88 CO -0.08 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.67 1j95 h ARG 89 N 0.00 0.00 0.13 4.80 3.08 -0.88 -1.62 114.38 119.89 1j95 h ARG 89 Ca 0.15 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 1j95 h ARG 89 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.80 1j95 h ARG 89 CO -0.00 0.00 -0.80 0.00 -1.07 0.00 0.00 179.97 178.10 1j95 h VAL 91 N -0.34 0.71 0.07 0.00 2.07 -1.28 -1.36 116.25 116.12 1j95 h VAL 91 Ca -0.14 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1j95 h VAL 91 Cb 1.61 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1j95 h VAL 91 CO 0.15 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.80 1j95 h ALA 92 N 1.62 -0.82 -1.45 1.67 0.00 -1.27 0.28 119.26 119.29 1j95 h ALA 92 Ca 0.54 -0.03 0.42 0.00 0.00 0.00 0.00 54.91 55.84 1j95 h ALA 92 Cb 0.81 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1j95 h ALA 92 CO -0.38 -0.82 1.03 0.28 0.00 0.00 0.00 179.25 179.36 1j95 h VAL 93 N -0.14 0.27 0.11 0.00 2.07 -0.94 1.01 116.25 118.63 1j95 h VAL 93 Ca -0.01 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.23 1j95 h VAL 93 Cb 0.12 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1j95 h VAL 93 CO -0.01 0.00 -1.20 0.58 0.02 0.00 0.00 177.57 176.97 1j95 h VAL 94 N 0.02 1.46 0.00 2.57 2.07 -0.84 -2.75 116.25 118.78 1j95 h VAL 94 Ca 0.70 -2.90 -0.16 0.00 0.82 0.00 0.00 66.70 65.17 1j95 h VAL 94 Cb 2.74 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 35.33 1j95 h VAL 94 CO -0.04 0.85 -0.74 0.58 0.02 0.00 0.00 177.57 178.23 1j95 h VAL 95 N 0.11 1.46 0.03 2.57 2.07 0.30 -2.07 116.25 120.73 1j95 h VAL 95 Ca -0.13 -2.61 -0.00 0.00 0.82 0.00 0.00 66.70 64.77 1j95 h VAL 95 Cb 1.90 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 34.11 1j95 h VAL 95 CO 0.20 0.73 -0.02 0.24 0.02 0.00 0.00 177.57 178.75 1j95 h MET 96 N 0.00 -0.04 -1.05 1.57 2.07 -0.45 -2.44 114.93 114.58 1j95 h MET 96 Ca -0.01 0.00 0.29 0.00 -2.07 0.00 0.00 59.70 57.91 1j95 h MET 96 Cb 1.38 0.01 -0.12 0.00 -1.87 0.00 0.00 31.60 31.00 1j95 h MET 96 CO 0.10 -0.03 0.65 0.28 1.07 0.00 0.00 176.91 178.98 1j95 h VAL 97 N -0.07 0.45 0.21 -2.22 2.07 -1.62 0.54 116.25 115.62 1j95 h VAL 97 Ca -0.00 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1j95 h VAL 97 Cb 0.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.76 1j95 h VAL 97 CO 0.01 0.08 -0.44 0.00 0.02 0.00 0.00 177.57 177.24 1j95 h ALA 98 N 1.69 -0.84 -0.09 1.67 0.00 -1.39 0.65 119.26 120.95 1j95 h ALA 98 Ca 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1j95 h ALA 98 Cb 1.55 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 20.04 1j95 h ALA 98 CO -0.42 -1.03 0.01 0.78 0.00 0.00 0.00 179.25 178.59 1j95 h GLY 99 N -0.73 0.17 0.16 0.00 0.00 -0.52 -2.54 103.07 99.60 1j95 h GLY 99 Ca -0.00 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.31 1j95 h GLY 99 CO -0.20 0.11 -0.01 -2.22 0.00 0.00 0.00 176.54 174.22 1j95 h ILE 100 N -0.11 0.60 -0.08 2.60 2.04 -0.81 -2.44 117.51 119.31 1j95 h ILE 100 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1j95 h ILE 100 Cb 0.32 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1j95 h ILE 100 CO 0.00 0.02 0.03 0.74 0.00 0.00 0.00 178.15 178.94 1j95 h THR 101 N 0.10 1.16 -0.47 -0.27 2.02 -0.89 -2.45 112.91 112.12 1j95 h THR 101 Ca 0.25 -0.50 0.10 0.00 0.77 0.00 0.00 66.41 67.03 1j95 h THR 101 Cb 0.38 1.35 -0.09 0.00 -1.74 0.00 0.00 68.15 68.05 1j95 h THR 101 CO -0.43 0.14 -0.17 0.28 0.37 0.00 0.00 175.52 175.72 1j95 h SER 102 N -0.05 -0.59 -0.28 4.18 0.02 -1.01 -0.68 113.55 115.13 1j95 h SER 102 Ca 0.03 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1j95 h SER 102 Cb 0.20 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1j95 h SER 102 CO -0.00 -0.20 0.01 -0.26 -1.14 0.00 0.00 176.83 175.24 1j95 h PHE 103 N -0.06 0.53 -0.29 3.45 -1.00 -1.46 -2.33 116.94 115.78 1j95 h PHE 103 Ca 0.23 -0.09 0.08 0.00 2.81 0.00 0.00 57.97 61.00 1j95 h PHE 103 Cb 0.41 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1j95 h PHE 103 CO -0.44 0.62 0.33 0.78 -1.61 0.00 0.00 178.31 177.98 1j95 h GLY 104 N 0.28 0.00 1.44 -1.45 0.00 -0.84 0.41 103.07 102.91 1j95 h GLY 104 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1j95 h GLY 104 CO 0.01 0.00 -0.48 -2.00 0.00 0.00 0.00 176.54 174.07 1j95 h LEU 105 N 0.00 0.00 0.00 3.11 6.46 -0.63 -1.16 115.31 123.09 1j95 h LEU 105 Ca 0.14 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1j95 h LEU 105 Cb 0.79 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1j95 h LEU 105 CO -0.00 0.04 -1.08 0.52 -0.62 0.00 0.00 178.44 177.29 1j95 n VAL 106 N -2.50 0.68 0.09 1.05 0.31 0.12 -2.71 118.33 115.37 1j95 n VAL 106 Ca 0.03 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.66 1j95 n VAL 106 Cb 0.49 -0.38 -0.13 0.00 -0.91 0.00 0.00 33.84 32.90 1j95 n VAL 106 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1j95 h THR 107 N 0.00 1.55 0.00 2.52 2.02 -0.73 -2.68 112.91 115.58 1j95 h THR 107 Ca -0.02 -3.16 -0.09 0.00 0.77 0.00 0.00 66.41 63.90 1j95 h THR 107 Cb 1.08 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 70.39 1j95 h THR 107 CO 0.01 0.91 -0.44 0.00 0.37 0.00 0.00 175.52 176.37 1j95 h ALA 108 N 0.70 1.00 -0.04 6.16 0.00 -1.24 -1.49 119.26 124.36 1j95 h ALA 108 Ca -0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1j95 h ALA 108 Cb 1.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1j95 h ALA 108 CO 0.18 0.56 -0.20 0.00 0.00 0.00 0.00 179.25 179.79 1j95 h ALA 109 N 1.56 0.07 0.00 0.00 0.00 -1.48 -2.53 119.26 116.88 1j95 h ALA 109 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1j95 h ALA 109 Cb 0.95 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1j95 h ALA 109 CO 0.06 0.05 -0.14 -0.07 0.00 0.00 0.00 179.25 179.14 1j95 h LEU 110 N -0.37 0.00 0.31 0.00 3.38 -1.43 -0.95 115.31 116.24 1j95 h LEU 110 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1j95 h LEU 110 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1j95 h LEU 110 CO 0.04 0.14 -0.15 0.00 0.09 0.00 0.00 178.44 178.56 1j95 h ALA 111 N 1.86 -0.42 0.00 1.53 0.00 -1.14 -2.04 119.26 119.05 1j95 h ALA 111 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1j95 h ALA 111 Cb 0.36 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j95 h ALA 111 CO 0.02 -0.55 -0.32 1.79 0.00 0.00 0.00 179.25 180.19 1j95 h THR 112 N -0.78 0.82 -0.19 0.00 1.35 -1.31 -1.99 112.91 110.81 1j95 h THR 112 Ca -0.04 -1.31 -0.13 0.00 -0.55 0.00 0.00 66.41 64.38 1j95 h THR 112 Cb 0.51 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1j95 h THR 112 CO 0.07 0.31 -0.43 -0.25 -0.25 0.00 0.00 175.52 174.97 1j95 h TRP 113 N 0.00 0.55 0.00 4.73 7.01 -1.16 1.01 115.95 128.09 1j95 h TRP 113 Ca -0.00 -0.16 -0.12 0.00 2.11 0.00 0.00 58.89 60.71 1j95 h TRP 113 Cb 0.78 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 1j95 h TRP 113 CO 0.00 0.82 -0.57 0.74 -2.79 0.00 0.00 178.44 176.64 1j95 h PHE 114 N 0.38 0.00 0.00 2.65 0.05 -0.97 -2.83 116.94 116.23 1j95 h PHE 114 Ca 0.03 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.71 1j95 h PHE 114 Cb 0.91 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.84 1j95 h PHE 114 CO 0.03 0.57 -0.87 0.28 -0.18 0.00 0.00 178.31 178.14 1j95 h VAL 115 N 0.00 0.59 -0.18 -0.55 2.07 -1.06 -3.21 116.25 113.91 1j95 h VAL 115 Ca -0.01 -1.94 -0.12 0.00 0.82 0.00 0.00 66.70 65.45 1j95 h VAL 115 Cb 1.32 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1j95 h VAL 115 CO 0.07 0.34 -0.43 1.23 0.02 0.00 0.00 177.57 178.80 1j95 h GLY 116 N 3.66 0.45 -0.58 2.17 0.00 0.13 -0.32 103.07 108.58 1j95 h GLY 116 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1j95 h GLY 116 CO 0.05 0.41 0.00 -0.96 0.00 0.00 0.00 176.54 176.04 1j95 n ARG 117 N -4.01 1.68 -0.00 4.80 1.85 -1.08 -3.35 116.66 116.54 1j95 n ARG 117 Ca -0.02 -1.00 0.05 0.00 -1.00 0.00 0.00 57.85 55.88 1j95 n ARG 117 Cb 0.51 -1.45 -0.07 0.00 -1.05 0.00 0.00 32.46 30.40 1j95 n ARG 117 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1j95 n GLU 118 N 0.22 1.73 0.02 2.89 -0.58 -1.02 -3.35 120.64 120.54 1j95 n GLU 118 Ca 0.18 -0.06 0.14 0.00 -0.42 0.00 0.00 57.16 57.00 1j95 n GLU 118 Cb 0.34 -1.15 0.53 0.00 -0.57 0.00 0.00 31.44 30.60 1j95 n GLU 118 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1j95 n GLN 119 N -1.60 0.05 -0.03 3.49 -0.06 -0.16 -3.92 117.38 115.14 1j95 n GLN 119 Ca -0.00 0.03 -0.03 0.00 -2.00 0.00 0.00 57.00 55.00 1j95 n GLN 119 Cb 0.23 -1.55 -0.01 0.00 -4.06 0.00 0.00 30.24 24.85 1j95 n GLN 119 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1j95 n GLU 120 N -1.63 0.21 0.00 3.69 1.02 -1.24 -5.09 120.64 117.60 1j95 n GLU 120 Ca 0.07 0.19 0.10 0.00 -0.02 0.00 0.00 57.16 57.49 1j95 n GLU 120 Cb 0.36 -0.98 0.60 0.00 -0.02 0.00 0.00 31.44 31.40 1j95 n GLU 120 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85