#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnc n HIS 46 N -0.09 -2.15 0.05 0.00 -0.00 -1.26 -5.10 115.22 106.67 2jnc n HIS 46 Ca -0.06 -0.60 0.00 0.00 0.46 0.00 0.00 57.72 57.52 2jnc n HIS 46 Cb 0.63 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 2jnc n HIS 46 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jnc n ARG 47 N -1.14 0.00 0.00 1.57 5.12 -1.26 -4.80 116.66 116.16 2jnc n ARG 47 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2jnc n ARG 47 Cb 0.17 -0.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 2jnc n ARG 47 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2jnc n THR 48 N -3.03 0.00 -3.72 0.55 5.66 -1.26 -4.64 114.28 107.84 2jnc n THR 48 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 2jnc n THR 48 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2jnc n THR 48 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2jnc n THR 49 N 0.00 -5.58 -4.69 1.09 -2.24 -1.26 -4.66 114.28 96.94 2jnc n THR 49 Ca 0.00 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2jnc n THR 49 Cb 0.00 -4.16 0.00 0.00 -2.10 0.00 0.00 70.33 64.07 2jnc n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jnc n ILE 50 N -4.24 0.00 -0.05 2.28 0.13 -1.26 -4.08 119.36 112.14 2jnc n ILE 50 Ca -0.09 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.45 2jnc n ILE 50 Cb 0.59 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.34 2jnc n ILE 50 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2jnc h GLY 51 N 0.00 0.29 -1.04 4.50 0.00 -2.01 -3.45 103.07 101.36 2jnc h GLY 51 Ca 0.00 -0.16 -0.39 0.00 0.00 0.00 0.00 47.33 46.78 2jnc h GLY 51 CO 0.00 0.15 0.17 0.70 0.00 0.00 0.00 176.54 177.56 2jnc n ASN 52 N -4.83 0.88 -2.09 0.19 4.13 -1.26 -5.00 115.26 107.27 2jnc n ASN 52 Ca -0.04 -1.83 -0.22 0.00 1.68 0.00 0.00 54.58 54.17 2jnc n ASN 52 Cb 0.14 -0.64 0.18 0.00 -1.54 0.00 0.00 39.78 37.91 2jnc n ASN 52 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jnc n PHE 53 N -2.90 2.82 0.00 3.10 3.01 -1.26 -4.69 117.46 117.54 2jnc n PHE 53 Ca 0.14 -1.89 0.00 0.00 1.01 0.00 0.00 57.45 56.72 2jnc n PHE 53 Cb 0.50 -0.91 0.00 0.00 -0.01 0.00 0.00 39.48 39.06 2jnc n PHE 53 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2jnc n SER 54 N -1.13 0.00 0.00 4.37 7.64 -1.26 -5.10 113.62 118.13 2jnc n SER 54 Ca 0.57 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2jnc n SER 54 Cb 1.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jnc n GLY 55 N 0.00 0.14 0.00 0.23 0.00 -1.26 -5.11 105.19 99.19 2jnc n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jnc n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jnc n PRO 56 N -1.13 0.13 -1.04 1.61 -0.04 -1.26 -5.04 135.00 128.22 2jnc n PRO 56 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2jnc n PRO 56 Cb 0.00 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.67 2jnc n PRO 56 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2jnc s TYR 57 N -0.52 1.50 -0.55 0.54 5.04 -1.26 -4.97 117.35 117.14 2jnc s TYR 57 Ca 0.00 0.85 -0.21 0.00 -2.44 0.00 0.00 57.07 55.27 2jnc s TYR 57 Cb 0.00 -3.28 0.06 0.00 0.35 0.00 0.00 41.96 39.09 2jnc s TYR 57 CO 0.00 -3.37 0.77 0.99 -1.34 0.00 0.00 175.55 172.60 2jnc s THR 58 N -2.90 4.65 0.35 4.34 2.01 -1.26 -5.03 115.64 117.81 2jnc s THR 58 Ca 0.67 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.39 2jnc s THR 58 Cb -0.17 -4.44 0.03 0.00 0.01 0.00 0.00 72.50 67.93 2jnc s THR 58 CO 0.58 -1.02 0.26 -1.22 -0.69 0.00 0.00 174.62 172.53 2jnc n TYR 59 N 6.77 -0.88 -2.06 4.92 4.01 -1.26 -4.47 117.16 124.19 2jnc n TYR 59 Ca -0.04 -1.49 -0.35 0.00 -0.16 0.00 0.00 57.90 55.85 2jnc n TYR 59 Cb 0.46 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 39.23 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jnc s ASN 61 N -1.80 6.80 -0.77 0.00 3.84 -1.22 -2.37 114.94 119.41 2jnc s ASN 61 Ca 0.74 0.95 -0.27 0.00 0.21 0.00 0.00 52.86 54.48 2jnc s ASN 61 Cb -0.26 -2.28 -0.16 0.00 -0.55 0.00 0.00 41.25 38.00 2jnc s ASN 61 CO 0.32 0.19 2.54 0.41 -2.79 0.00 0.00 177.10 177.76 2jnc n THR 62 N 2.56 -0.04 -4.25 -5.21 -1.04 -1.23 -4.69 114.28 100.39 2jnc n THR 62 Ca -0.11 -0.40 -0.25 0.00 -2.04 0.00 0.00 64.05 61.25 2jnc n THR 62 Cb 0.52 -1.54 -0.08 0.00 -1.82 0.00 0.00 70.33 67.40 2jnc n THR 62 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jnc s THR 63 N 10.23 2.26 -0.06 12.58 -1.32 0.10 -4.85 115.64 134.58 2jnc s THR 63 Ca 1.17 -1.78 0.01 0.00 -1.21 0.00 0.00 61.69 59.89 2jnc s THR 63 Cb -0.72 -2.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.30 2jnc s THR 63 CO 0.38 -0.01 -0.09 -0.22 -2.21 0.00 0.00 174.62 172.47 2jnc s LEU 64 N -3.85 1.47 0.00 9.08 0.20 -1.26 0.15 118.68 124.46 2jnc s LEU 64 Ca 0.39 -0.23 0.00 0.00 0.69 0.00 0.00 54.13 54.98 2jnc s LEU 64 Cb 0.05 -0.68 0.00 0.00 -0.43 0.00 0.00 46.19 45.13 2jnc s LEU 64 CO 0.21 -0.02 0.00 -0.67 -0.29 0.00 0.00 176.35 175.59 2jnc n ASP 65 N 4.03 0.00 -0.18 3.68 -0.08 -1.25 -4.96 116.55 117.79 2jnc n ASP 65 Ca -0.22 -0.18 0.22 0.00 -1.51 0.00 0.00 54.79 53.10 2jnc n ASP 65 Cb 0.51 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.58 2jnc n ASP 65 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2jnc h GLN 66 N 0.00 0.20 -6.15 -0.67 4.20 -1.98 -3.41 115.11 107.30 2jnc h GLN 66 Ca 0.00 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.13 2jnc h GLN 66 Cb 0.00 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2jnc h GLN 66 CO 0.00 0.13 -0.35 0.96 -0.67 0.00 0.00 178.83 178.90 2jnc s ILE 67 N -5.21 5.22 -0.59 2.54 -4.36 -1.26 -4.65 121.20 112.88 2jnc s ILE 67 Ca -0.07 -0.20 -0.09 0.00 -0.26 0.00 0.00 60.65 60.04 2jnc s ILE 67 Cb 0.22 -3.67 -0.08 0.00 1.25 0.00 0.00 42.46 40.18 2jnc s ILE 67 CO 0.77 -0.04 1.76 0.61 0.24 0.00 0.00 174.94 178.28 2jnc n GLY 68 N -0.21 2.48 2.90 6.27 0.00 -1.26 -4.76 105.19 110.61 2jnc n GLY 68 Ca -0.04 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2jnc n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnc s THR 69 N 4.32 1.28 -1.33 2.61 2.01 -1.26 -5.05 115.64 118.21 2jnc s THR 69 Ca 0.34 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 2jnc s THR 69 Cb 0.09 -1.53 0.09 0.00 0.01 0.00 0.00 72.50 71.16 2jnc s THR 69 CO 0.03 -0.02 1.86 0.00 -0.69 0.00 0.00 174.62 175.80 2jnc n TRP 71 N 6.61 1.31 -1.17 0.00 7.02 0.39 -4.54 117.44 127.06 2jnc n TRP 71 Ca 0.47 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 57.16 2jnc n TRP 71 Cb 0.42 -2.55 0.00 0.00 -2.42 0.00 0.00 31.31 26.76 2jnc n TRP 71 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2jnc n PRO 72 N 8.64 0.50 -1.59 -0.99 -0.04 -1.26 0.03 135.00 140.29 2jnc n PRO 72 Ca 0.45 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 63.40 2jnc n PRO 72 Cb 0.33 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.73 2jnc n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnc n GLN 73 N -0.76 1.54 0.00 0.54 -0.00 -1.00 -4.62 117.38 113.08 2jnc n GLN 73 Ca 0.00 0.51 -0.01 0.00 -0.00 0.00 0.00 57.00 57.50 2jnc n GLN 73 Cb 0.00 -2.52 -0.00 0.00 -0.00 0.00 0.00 30.24 27.72 2jnc n GLN 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2jnc n SER 74 N 8.04 0.36 0.00 2.61 2.88 -1.26 -4.78 113.62 121.47 2jnc n SER 74 Ca 0.31 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2jnc n SER 74 Cb 0.25 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnc n ALA 75 N -2.84 0.00 -1.55 -1.46 0.00 -1.26 -4.81 120.51 108.59 2jnc n ALA 75 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 2jnc n ALA 75 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 2jnc n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jnc n PRO 76 N -0.60 0.63 -0.75 0.00 -0.04 -1.26 -3.52 135.00 129.46 2jnc n PRO 76 Ca 0.00 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 2jnc n PRO 76 Cb 0.00 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.11 2jnc n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jnc n GLY 77 N 6.48 -0.59 3.63 0.55 0.00 -0.31 -4.05 105.19 110.90 2jnc n GLY 77 Ca 0.46 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2jnc n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnc s ALA 78 N -0.30 -1.83 -0.13 4.61 0.00 -1.05 -4.83 121.76 118.23 2jnc s ALA 78 Ca 0.00 1.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.84 2jnc s ALA 78 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2jnc s ALA 78 CO 0.00 -0.32 0.18 -1.17 0.00 0.00 0.00 175.76 174.46 2jnc s LEU 79 N 0.28 4.35 0.04 0.00 0.20 -1.26 0.59 118.68 122.88 2jnc s LEU 79 Ca 0.00 0.48 0.02 0.00 0.69 0.00 0.00 54.13 55.32 2jnc s LEU 79 Cb -0.05 -2.16 -0.02 0.00 -0.43 0.00 0.00 46.19 43.52 2jnc s LEU 79 CO -0.00 0.32 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.61 2jnc s VAL 80 N -0.59 0.50 1.04 1.68 1.01 0.39 -4.96 120.40 119.47 2jnc s VAL 80 Ca 0.15 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 2jnc s VAL 80 Cb -0.12 -0.60 0.22 0.00 0.00 0.00 0.00 36.38 35.87 2jnc s VAL 80 CO 0.04 -0.40 1.19 -1.61 0.00 0.00 0.00 175.10 174.32 2jnc s GLU 81 N -1.62 0.06 0.00 2.72 8.01 -1.26 0.40 118.70 127.01 2jnc s GLU 81 Ca -0.10 -0.09 0.00 0.00 0.01 0.00 0.00 54.97 54.79 2jnc s GLU 81 Cb -0.10 -1.75 0.00 0.00 -4.31 0.00 0.00 34.13 27.98 2jnc s GLU 81 CO 0.00 -2.86 0.00 -2.13 0.01 0.00 0.00 175.26 170.29 2jnc n ARG 82 N -4.15 0.00 -1.93 1.61 3.00 -1.23 -4.69 116.66 109.28 2jnc n ARG 82 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.56 2jnc n ARG 82 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.04 2jnc n ARG 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2jnc s PRO 83 N -0.93 4.21 0.42 -0.14 0.04 -1.26 0.15 135.00 137.49 2jnc s PRO 83 Ca 0.00 2.42 -0.26 0.00 0.04 0.00 0.00 61.00 63.20 2jnc s PRO 83 Cb 0.00 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.41 2jnc s PRO 83 CO 0.00 -0.44 1.45 0.00 0.04 0.00 0.00 177.00 178.04 2jnc n PRO 85 N 0.07 0.00 -0.04 0.00 -0.01 -1.26 -4.74 135.00 129.02 2jnc n PRO 85 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 63.50 63.43 2jnc n PRO 85 Cb 0.40 -1.03 -0.09 0.00 -0.01 0.00 0.00 33.50 32.78 2jnc n PRO 85 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 2jnc h GLU 86 N 7.74 -0.04 -0.80 -0.52 3.07 -1.88 -3.40 114.58 118.74 2jnc h GLU 86 Ca -0.04 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.40 2jnc h GLU 86 Cb 0.91 0.01 -0.41 0.00 -0.84 0.00 0.00 28.75 28.42 2jnc h GLU 86 CO 0.90 0.60 -0.96 0.66 -1.40 0.00 0.00 179.01 178.81 2jnc n TYR 87 N -4.72 2.13 -4.17 4.33 4.01 -1.26 -3.59 117.16 113.89 2jnc n TYR 87 Ca -0.07 -2.42 -0.11 0.00 -0.16 0.00 0.00 57.90 55.14 2jnc n TYR 87 Cb 0.32 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 2jnc n TYR 87 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2jnc n PHE 88 N -0.54 -0.38 -1.51 -0.72 3.72 -1.26 -4.89 117.46 111.88 2jnc n PHE 88 Ca 0.26 -1.54 -0.18 0.00 -0.05 0.00 0.00 57.45 55.94 2jnc n PHE 88 Cb 0.84 0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 39.45 2jnc n PHE 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2jnc n ASN 89 N -2.22 -5.24 -3.31 4.37 5.03 -1.26 -2.75 115.26 109.89 2jnc n ASN 89 Ca 0.03 0.44 -0.20 0.00 0.87 0.00 0.00 54.58 55.72 2jnc n ASN 89 Cb 0.33 -4.30 0.08 0.00 -1.02 0.00 0.00 39.78 34.87 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jnc n GLY 90 N -0.66 -0.38 0.00 7.41 0.00 -1.26 -5.19 105.19 105.11 2jnc n GLY 90 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jnc n GLY 90 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jnc n ILE 91 N -4.51 0.00 -0.12 -0.61 0.13 -1.11 -5.10 119.36 108.05 2jnc n ILE 91 Ca -0.08 0.00 0.01 0.00 -1.10 0.00 0.00 62.75 61.58 2jnc n ILE 91 Cb 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.38 2jnc n ILE 91 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2jnc n TYR 93 N 0.00 -0.31 -2.56 9.51 0.18 -1.24 -4.20 117.16 118.55 2jnc n TYR 93 Ca 0.00 0.17 -0.17 0.00 1.88 0.00 0.00 57.90 59.77 2jnc n TYR 93 Cb 0.00 -0.28 -0.00 0.00 -0.38 0.00 0.00 39.34 38.68 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2jnc n ASN 94 N -2.39 -4.89 0.00 9.48 2.85 -1.26 -4.84 115.26 114.21 2jnc n ASN 94 Ca -0.01 0.02 0.11 0.00 -0.11 0.00 0.00 54.58 54.60 2jnc n ASN 94 Cb 0.05 -4.08 0.64 0.00 1.24 0.00 0.00 39.78 37.64 2jnc n ASN 94 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2jnc n THR 95 N -3.78 0.13 -0.49 -0.44 -2.24 -1.26 -4.38 114.28 101.81 2jnc n THR 95 Ca -0.17 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 2jnc n THR 95 Cb 0.64 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 68.15 2jnc n THR 95 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jnc n THR 96 N -1.12 1.52 0.00 4.28 -2.24 -1.26 -4.06 114.28 111.40 2jnc n THR 96 Ca 0.15 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2jnc n THR 96 Cb 0.12 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 2jnc n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jnc n ARG 97 N 3.21 0.00 -3.57 -0.78 1.74 -1.26 -5.10 116.66 110.90 2jnc n ARG 97 Ca 0.24 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.35 2jnc n ARG 97 Cb 0.33 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.77 2jnc n ARG 97 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jnc s ASN 98 N 1.40 -0.01 -0.52 0.55 3.84 -1.26 -4.63 114.94 114.30 2jnc s ASN 98 Ca 0.00 -0.03 0.06 0.00 0.21 0.00 0.00 52.86 53.11 2jnc s ASN 98 Cb 0.00 0.04 0.23 0.00 -0.55 0.00 0.00 41.25 40.97 2jnc s ASN 98 CO 0.00 -0.06 0.58 0.00 -2.79 0.00 0.00 177.10 174.83 2jnc n ALA 99 N -0.44 3.21 -1.68 1.71 0.00 0.39 -4.21 120.51 119.49 2jnc n ALA 99 Ca -0.08 -4.01 -0.27 0.00 0.00 0.00 0.00 53.44 49.08 2jnc n ALA 99 Cb 0.63 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 2jnc n ALA 99 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jnc n TYR 100 N 1.43 1.83 -1.58 0.00 4.01 -1.25 -3.50 117.16 118.11 2jnc n TYR 100 Ca 0.25 -1.01 -0.32 0.00 -0.16 0.00 0.00 57.90 56.66 2jnc n TYR 100 Cb 0.46 -2.37 0.06 0.00 -0.31 0.00 0.00 39.34 37.18 2jnc n TYR 100 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2jnc s ARG 101 N 7.01 2.69 0.05 -0.72 3.00 0.16 -2.18 118.95 128.97 2jnc s ARG 101 Ca 0.71 1.21 0.03 0.00 -1.00 0.00 0.00 55.73 56.68 2jnc s ARG 101 Cb 0.01 -1.95 -0.03 0.00 0.00 0.00 0.00 34.95 32.98 2jnc s ARG 101 CO 0.17 -1.31 -0.09 -2.00 0.00 0.00 0.00 175.30 172.07 2jnc s GLU 102 N -4.55 0.62 0.28 5.12 2.12 -1.25 0.15 118.70 121.20 2jnc s GLU 102 Ca 0.63 -0.86 0.10 0.00 0.36 0.00 0.00 54.97 55.19 2jnc s GLU 102 Cb -0.18 -0.40 -0.04 0.00 0.26 0.00 0.00 34.13 33.77 2jnc s GLU 102 CO 0.48 0.07 -0.01 0.00 -0.54 0.00 0.00 175.26 175.27 2jnc s LEU 104 N -3.68 4.38 0.61 0.00 2.01 0.58 -2.53 118.68 120.04 2jnc s LEU 104 Ca 0.32 0.57 0.29 0.00 0.01 0.00 0.00 54.13 55.32 2jnc s LEU 104 Cb -0.05 -2.57 1.51 0.00 0.01 0.00 0.00 46.19 45.09 2jnc s LEU 104 CO 0.20 0.28 1.90 -0.33 1.01 0.00 0.00 176.35 179.41 2jnc h GLU 105 N 4.20 0.00 -0.00 1.70 3.07 -1.84 0.60 114.58 122.32 2jnc h GLU 105 Ca -0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2jnc h GLU 105 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2jnc h GLU 105 CO 0.64 0.00 -0.00 0.09 -1.40 0.00 0.00 179.01 178.34 2jnc n ASN 106 N -3.52 0.14 0.00 1.42 3.02 -1.26 -4.52 115.26 110.54 2jnc n ASN 106 Ca 0.05 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 2jnc n ASN 106 Cb 0.59 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 2jnc n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnc n GLY 107 N 1.02 3.01 3.77 7.41 0.00 0.20 -5.05 105.19 115.55 2jnc n GLY 107 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2jnc n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jnc s THR 108 N -2.87 3.00 0.51 2.61 -4.23 -1.24 -3.41 115.64 110.01 2jnc s THR 108 Ca 0.00 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.03 2jnc s THR 108 Cb 0.00 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 2jnc s THR 108 CO 0.00 -0.17 0.85 0.26 -0.54 0.00 0.00 174.62 175.02 2jnc s TRP 109 N -1.82 3.57 0.07 3.99 0.52 -1.26 0.21 118.94 124.22 2jnc s TRP 109 Ca 0.73 0.95 0.09 0.00 0.02 0.00 0.00 56.10 57.90 2jnc s TRP 109 Cb -0.25 -2.42 -0.03 0.00 -1.15 0.00 0.00 33.47 29.61 2jnc s TRP 109 CO 0.31 -0.37 -0.24 0.00 0.02 0.00 0.00 176.95 176.68 2jnc s ALA 110 N -2.82 2.39 -0.23 0.98 0.00 0.31 -4.64 121.76 117.75 2jnc s ALA 110 Ca 0.50 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 2jnc s ALA 110 Cb -0.10 -0.52 0.20 0.00 0.00 0.00 0.00 23.12 22.70 2jnc s ALA 110 CO 0.46 0.55 1.81 -1.13 0.00 0.00 0.00 175.76 177.44 2jnc n SER 111 N 1.44 5.32 0.00 0.00 3.41 -1.26 -3.89 113.62 118.63 2jnc n SER 111 Ca -0.17 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 2jnc n SER 111 Cb 0.52 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2jnc n SER 111 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jnc n ARG 112 N 0.33 0.00 0.00 4.33 3.00 -1.26 -4.96 116.66 118.10 2jnc n ARG 112 Ca 0.24 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 58.35 2jnc n ARG 112 Cb 0.69 -1.09 0.00 0.00 0.00 0.00 0.00 32.46 32.06 2jnc n ARG 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2jnc n VAL 113 N -1.27 0.00 0.00 5.15 3.14 -0.93 -4.82 118.33 119.60 2jnc n VAL 113 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2jnc n VAL 113 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2jnc n VAL 113 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2jnc n ASN 114 N -3.62 0.00 0.00 6.55 4.13 -1.26 -4.33 115.26 116.73 2jnc n ASN 114 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2jnc n ASN 114 Cb 0.00 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 2jnc n ASN 114 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2jnc n TYR 115 N -1.27 0.00 -0.44 3.10 4.02 -1.26 -4.51 117.16 116.80 2jnc n TYR 115 Ca 0.00 0.00 0.37 0.00 -0.01 0.00 0.00 57.90 58.26 2jnc n TYR 115 Cb 0.00 0.00 0.62 0.00 -0.02 0.00 0.00 39.34 39.94 2jnc n TYR 115 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2jnc n SER 116 N 0.65 0.17 -0.50 7.72 7.64 -1.26 0.12 113.62 128.16 2jnc n SER 116 Ca 0.00 1.22 0.06 0.00 1.01 0.00 0.00 58.87 61.17 2jnc n SER 116 Cb 0.00 -0.60 0.19 0.00 -1.01 0.00 0.00 64.21 62.79 2jnc n SER 116 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jnc n HIS 117 N -4.45 0.19 -3.00 1.43 8.25 -1.26 -4.88 115.22 111.50 2jnc n HIS 117 Ca 0.37 -1.30 -0.44 0.00 -0.26 0.00 0.00 57.72 56.09 2jnc n HIS 117 Cb 1.45 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 32.31 2jnc n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnc s GLU 119 N -1.36 4.17 0.13 0.00 8.01 -1.26 -5.00 118.70 123.39 2jnc s GLU 119 Ca 0.34 2.49 -0.01 0.00 0.01 0.00 0.00 54.97 57.79 2jnc s GLU 119 Cb 0.00 -3.08 0.03 0.00 -4.31 0.00 0.00 34.13 26.77 2jnc s GLU 119 CO 0.02 -0.62 0.17 -0.35 0.01 0.00 0.00 175.26 174.49 2jnc n PRO 120 N 3.12 0.10 0.00 0.39 -0.04 -1.26 -4.69 135.00 132.62 2jnc n PRO 120 Ca 0.11 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2jnc n PRO 120 Cb 0.38 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 2jnc n PRO 120 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57