#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnc s HIS 46 N -4.11 1.87 0.18 0.00 -3.43 -1.26 -5.07 115.29 103.47 2jnc s HIS 46 Ca 0.00 -0.78 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 2jnc s HIS 46 Cb 0.00 -1.94 0.00 0.00 -1.43 0.00 0.00 32.58 29.21 2jnc s HIS 46 CO 0.00 -0.34 0.00 -2.13 -2.00 0.00 0.00 174.74 170.27 2jnc n ARG 47 N -1.66 -0.99 -2.59 -0.38 3.00 -1.26 -4.76 116.66 108.01 2jnc n ARG 47 Ca -0.02 0.79 -0.04 0.00 -0.00 0.00 0.00 57.85 58.59 2jnc n ARG 47 Cb 0.64 -1.17 -0.00 0.00 0.00 0.00 0.00 32.46 31.93 2jnc n ARG 47 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2jnc n THR 48 N -2.81 0.00 0.00 5.15 5.66 -1.26 -4.79 114.28 116.23 2jnc n THR 48 Ca -0.02 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 2jnc n THR 48 Cb 0.21 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 2jnc n THR 48 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2jnc n THR 49 N -0.51 0.00 -2.64 1.09 5.66 -1.12 -4.63 114.28 112.13 2jnc n THR 49 Ca -0.24 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.41 2jnc n THR 49 Cb 0.65 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.39 2jnc n THR 49 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2jnc s ILE 50 N -2.00 3.98 0.00 1.09 -1.09 -1.26 -4.75 121.20 117.17 2jnc s ILE 50 Ca 0.00 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 2jnc s ILE 50 Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2jnc s ILE 50 CO 0.00 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.12 2jnc n GLY 51 N -0.21 3.25 2.58 6.18 0.00 -1.26 -4.36 105.19 111.37 2jnc n GLY 51 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2jnc n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jnc n ASN 52 N 4.07 -1.32 -3.02 1.61 6.94 -1.26 -5.04 115.26 117.24 2jnc n ASN 52 Ca 0.00 -1.90 0.01 0.00 -0.02 0.00 0.00 54.58 52.67 2jnc n ASN 52 Cb 0.00 0.91 -0.00 0.00 -2.36 0.00 0.00 39.78 38.32 2jnc n ASN 52 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 2jnc s PHE 53 N 0.09 -1.13 -0.19 -2.53 -0.12 -1.26 -5.07 117.98 107.77 2jnc s PHE 53 Ca 0.10 0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 57.13 2jnc s PHE 53 Cb 0.19 0.21 0.01 0.00 -0.63 0.00 0.00 43.02 42.80 2jnc s PHE 53 CO -0.05 -0.77 0.04 0.45 -0.05 0.00 0.00 175.22 174.85 2jnc n SER 54 N 4.12 -4.82 -4.59 1.98 2.88 -1.26 -4.90 113.62 107.03 2jnc n SER 54 Ca 0.09 0.98 -0.48 0.00 -1.33 0.00 0.00 58.87 58.13 2jnc n SER 54 Cb 0.60 -3.98 -0.03 0.00 -0.75 0.00 0.00 64.21 60.04 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jnc n GLY 55 N 0.66 0.08 0.00 0.46 0.00 -1.26 -4.99 105.19 100.13 2jnc n GLY 55 Ca -0.07 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 1.61 1.67 0.00 1.61 -0.04 -1.26 -5.06 135.00 133.52 2jnc n PRO 56 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2jnc n PRO 56 Cb 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2jnc n PRO 56 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2jnc n TYR 57 N -0.32 0.00 -1.47 0.54 4.19 -1.26 -4.89 117.16 113.96 2jnc n TYR 57 Ca 0.00 0.00 -0.45 0.00 3.31 0.00 0.00 57.90 60.76 2jnc n TYR 57 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 2jnc n TYR 57 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 2jnc n THR 58 N 0.00 1.87 -4.33 2.97 5.66 -1.26 -4.99 114.28 114.20 2jnc n THR 58 Ca 0.00 -0.50 -0.28 0.00 -3.05 0.00 0.00 64.05 60.22 2jnc n THR 58 Cb 0.00 -0.43 -0.03 0.00 -1.55 0.00 0.00 70.33 68.31 2jnc n THR 58 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2jnc n TYR 59 N -0.15 0.32 -1.46 1.09 4.02 -1.26 -4.21 117.16 115.50 2jnc n TYR 59 Ca 0.14 -2.29 0.00 0.00 -0.01 0.00 0.00 57.90 55.73 2jnc n TYR 59 Cb 0.31 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jnc s ASN 61 N -1.00 3.06 -0.96 0.00 3.84 -1.26 -4.06 114.94 114.56 2jnc s ASN 61 Ca 0.00 -0.60 -0.26 0.00 0.21 0.00 0.00 52.86 52.21 2jnc s ASN 61 Cb 0.00 -1.42 -0.16 0.00 -0.55 0.00 0.00 41.25 39.12 2jnc s ASN 61 CO 0.00 0.06 2.19 -0.89 -2.79 0.00 0.00 177.10 175.68 2jnc s THR 62 N 0.90 3.11 0.36 -5.21 2.01 -1.19 -4.44 115.64 111.19 2jnc s THR 62 Ca -0.05 -0.15 0.09 0.00 0.31 0.00 0.00 61.69 61.88 2jnc s THR 62 Cb -0.15 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2jnc s THR 62 CO -0.04 -0.22 0.01 0.28 -0.69 0.00 0.00 174.62 173.96 2jnc s THR 63 N 14.95 2.40 -0.07 -0.82 -1.32 -0.30 -4.84 115.64 125.64 2jnc s THR 63 Ca 0.83 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 59.37 2jnc s THR 63 Cb -0.08 -2.82 -0.01 0.00 -1.51 0.00 0.00 72.50 68.09 2jnc s THR 63 CO 0.12 -0.14 -0.24 -0.22 -2.21 0.00 0.00 174.62 171.93 2jnc s LEU 64 N -3.71 2.05 0.00 9.08 1.98 -1.26 0.43 118.68 127.24 2jnc s LEU 64 Ca 0.35 -0.50 0.00 0.00 -2.89 0.00 0.00 54.13 51.09 2jnc s LEU 64 Cb 0.03 -1.33 0.00 0.00 0.66 0.00 0.00 46.19 45.54 2jnc s LEU 64 CO 0.19 0.21 0.00 -0.67 -1.89 0.00 0.00 176.35 174.19 2jnc n ASP 65 N 3.13 1.51 -0.26 3.68 -0.08 -1.26 -5.02 116.55 118.25 2jnc n ASP 65 Ca -0.18 -0.63 0.07 0.00 -1.51 0.00 0.00 54.79 52.54 2jnc n ASP 65 Cb 0.52 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.18 2jnc n ASP 65 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2jnc h GLN 66 N 0.00 0.24 -6.83 -0.67 4.15 -2.00 -3.40 115.11 106.61 2jnc h GLN 66 Ca 0.00 -0.01 -0.48 0.00 0.77 0.00 0.00 58.65 58.93 2jnc h GLN 66 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2jnc h GLN 66 CO 0.00 0.16 0.36 0.42 -1.93 0.00 0.00 178.83 177.84 2jnc s ILE 67 N -6.03 4.09 -1.79 2.39 -1.09 -1.26 -4.93 121.20 112.57 2jnc s ILE 67 Ca -0.13 1.89 0.08 0.00 -2.23 0.00 0.00 60.65 60.27 2jnc s ILE 67 Cb 0.22 -4.13 0.21 0.00 -1.58 0.00 0.00 42.46 37.18 2jnc s ILE 67 CO 0.76 0.30 1.02 0.61 -1.23 0.00 0.00 174.94 176.40 2jnc n GLY 68 N 0.97 -0.37 2.99 6.18 0.00 -1.26 -4.36 105.19 109.34 2jnc n GLY 68 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2jnc n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jnc n THR 69 N -1.10 2.52 -1.55 2.61 5.66 -1.26 -4.93 114.28 116.23 2jnc n THR 69 Ca 0.05 -2.23 -0.59 0.00 -3.05 0.00 0.00 64.05 58.23 2jnc n THR 69 Cb 0.04 -2.43 -0.08 0.00 -1.55 0.00 0.00 70.33 66.31 2jnc n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jnc s TRP 71 N 0.54 3.65 1.34 0.00 0.52 0.17 -4.94 118.94 120.22 2jnc s TRP 71 Ca 0.92 -1.87 -0.20 0.00 0.02 0.00 0.00 56.10 54.96 2jnc s TRP 71 Cb -1.24 -3.88 0.34 0.00 -1.15 0.00 0.00 33.47 27.54 2jnc s TRP 71 CO 0.58 -1.06 0.97 -1.25 0.02 0.00 0.00 176.95 176.22 2jnc s PRO 72 N 0.59 -2.32 -1.06 4.98 0.04 -1.26 -1.15 135.00 134.81 2jnc s PRO 72 Ca 0.19 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.22 2jnc s PRO 72 Cb -0.10 -1.44 -0.15 0.00 0.04 0.00 0.00 34.50 32.85 2jnc s PRO 72 CO -0.08 -4.50 2.07 1.14 0.04 0.00 0.00 177.00 175.66 2jnc s GLN 73 N -5.00 1.85 0.00 4.56 -2.07 -1.26 -4.16 119.66 113.59 2jnc s GLN 73 Ca 0.69 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 2jnc s GLN 73 Cb -0.15 -5.06 0.00 0.00 -1.09 0.00 0.00 33.01 26.71 2jnc s GLN 73 CO 0.59 -4.60 0.00 -1.13 -1.32 0.00 0.00 175.29 168.83 2jnc n SER 74 N 17.07 0.00 0.00 12.60 3.41 -1.26 -2.80 113.62 142.63 2jnc n SER 74 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2jnc n SER 74 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jnc n ALA 75 N -3.00 0.00 -0.30 7.33 0.00 -1.26 -3.61 120.51 119.66 2jnc n ALA 75 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2jnc n ALA 75 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 2jnc n ALA 75 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jnc h PRO 76 N 0.00 0.05 -1.25 0.00 0.13 -1.73 0.85 132.00 130.04 2jnc h PRO 76 Ca 0.00 -0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2jnc h PRO 76 Cb 0.00 -0.01 -0.27 0.00 0.13 0.00 0.00 31.00 30.85 2jnc h PRO 76 CO 0.00 0.03 0.84 0.41 -0.23 0.00 0.00 178.00 179.05 2jnc n GLY 77 N -1.49 5.57 3.10 1.56 0.00 -1.26 -0.38 105.19 112.28 2jnc n GLY 77 Ca 0.17 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.57 2.56 -0.60 4.61 0.00 0.29 -5.02 121.76 120.04 2jnc s ALA 78 Ca 0.59 -1.64 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 2jnc s ALA 78 Cb 0.46 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 22.06 2jnc s ALA 78 CO -0.08 -1.02 1.14 -1.17 0.00 0.00 0.00 175.76 174.64 2jnc s LEU 79 N 1.17 3.58 -0.06 0.00 0.20 -1.26 -2.61 118.68 119.70 2jnc s LEU 79 Ca -0.05 -0.10 -0.26 0.00 0.69 0.00 0.00 54.13 54.41 2jnc s LEU 79 Cb -0.18 -2.99 -0.03 0.00 -0.43 0.00 0.00 46.19 42.55 2jnc s LEU 79 CO -0.06 -1.48 0.80 -0.69 -0.29 0.00 0.00 176.35 174.64 2jnc s VAL 80 N 4.82 4.97 -0.12 1.68 1.01 0.75 -4.88 120.40 128.63 2jnc s VAL 80 Ca 0.39 1.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.99 2jnc s VAL 80 Cb -0.09 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2jnc s VAL 80 CO 0.22 0.20 0.00 -0.70 0.00 0.00 0.00 175.10 174.82 2jnc s GLU 81 N 1.02 3.37 -0.49 2.72 2.12 -1.26 0.21 118.70 126.40 2jnc s GLU 81 Ca 0.42 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.38 2jnc s GLU 81 Cb -0.19 -2.91 0.21 0.00 0.26 0.00 0.00 34.13 31.50 2jnc s GLU 81 CO 0.21 0.49 0.49 0.54 -0.54 0.00 0.00 175.26 176.44 2jnc n ARG 82 N 2.81 1.00 -0.87 4.30 5.12 0.39 -4.97 116.66 124.45 2jnc n ARG 82 Ca -0.18 -3.66 -0.34 0.00 -1.93 0.00 0.00 57.85 51.74 2jnc n ARG 82 Cb 0.53 -1.73 -0.05 0.00 -1.16 0.00 0.00 32.46 30.05 2jnc n ARG 82 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2jnc n PRO 83 N 1.93 0.00 -1.45 5.56 -0.02 -1.26 -3.38 135.00 136.38 2jnc n PRO 83 Ca 0.25 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.26 2jnc n PRO 83 Cb 0.46 -0.87 -0.09 0.00 -0.02 0.00 0.00 33.50 32.99 2jnc n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jnc s PRO 85 N 7.11 4.52 0.00 0.00 0.04 -1.26 -3.97 135.00 141.44 2jnc s PRO 85 Ca 1.14 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.58 2jnc s PRO 85 Cb -0.89 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.60 2jnc s PRO 85 CO 0.47 0.17 0.95 1.49 0.04 0.00 0.00 177.00 180.11 2jnc h GLU 86 N 3.36 -0.65 -3.68 4.56 4.81 -1.84 -3.34 114.58 117.80 2jnc h GLU 86 Ca -0.47 0.04 -0.75 0.00 -0.13 0.00 0.00 59.36 58.05 2jnc h GLU 86 Cb 1.21 0.15 -0.15 0.00 0.63 0.00 0.00 28.75 30.58 2jnc h GLU 86 CO 0.65 -0.43 1.95 0.98 -0.73 0.00 0.00 179.01 181.44 2jnc n TYR 87 N -4.48 3.22 -2.61 0.92 9.36 -1.26 -3.95 117.16 118.35 2jnc n TYR 87 Ca -0.08 -2.87 -0.02 0.00 3.32 0.00 0.00 57.90 58.25 2jnc n TYR 87 Cb 0.26 -1.99 0.07 0.00 -0.63 0.00 0.00 39.34 37.05 2jnc n TYR 87 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2jnc n PHE 88 N 4.14 -1.21 -3.84 2.98 -0.00 -1.25 -5.16 117.46 113.11 2jnc n PHE 88 Ca 0.40 -1.03 -0.04 0.00 -0.00 0.00 0.00 57.45 56.77 2jnc n PHE 88 Cb 0.37 1.18 0.01 0.00 -0.00 0.00 0.00 39.48 41.04 2jnc n PHE 88 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2jnc s ASN 89 N -0.64 -0.04 0.00 -2.13 3.84 -1.26 -4.89 114.94 109.82 2jnc s ASN 89 Ca 0.07 -0.69 0.13 0.00 0.21 0.00 0.00 52.86 52.58 2jnc s ASN 89 Cb 0.25 0.55 0.67 0.00 -0.55 0.00 0.00 41.25 42.17 2jnc s ASN 89 CO -0.07 -1.09 1.31 0.61 -2.79 0.00 0.00 177.10 175.08 2jnc n GLY 90 N -0.62 -0.68 3.22 1.21 0.00 -1.26 -4.67 105.19 102.40 2jnc n GLY 90 Ca -0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 2jnc n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jnc s ILE 91 N -2.50 1.31 -0.71 -0.61 -1.09 -1.26 -5.00 121.20 111.33 2jnc s ILE 91 Ca 0.13 -1.50 -0.00 0.00 -2.23 0.00 0.00 60.65 57.05 2jnc s ILE 91 Cb 0.09 -1.33 0.18 0.00 -1.58 0.00 0.00 42.46 39.82 2jnc s ILE 91 CO 0.19 -0.26 0.54 -1.59 -1.23 0.00 0.00 174.94 172.59 2jnc s LYS 92 N -2.10 2.71 0.00 2.79 0.00 -1.26 -4.65 119.74 117.24 2jnc s LYS 92 Ca 0.03 -2.92 0.00 0.00 0.00 0.00 0.00 55.97 53.09 2jnc s LYS 92 Cb -0.08 -3.71 0.00 0.00 0.00 0.00 0.00 37.83 34.04 2jnc s LYS 92 CO 0.03 -1.21 0.00 2.48 0.00 0.00 0.00 175.35 176.65 2jnc n TYR 93 N 2.82 0.00 -3.74 1.78 4.11 -1.25 -4.97 117.16 115.91 2jnc n TYR 93 Ca 0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.76 2jnc n TYR 93 Cb 0.36 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.73 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2jnc n ASN 94 N 2.87 -3.45 -1.87 9.48 5.15 -1.26 -4.69 115.26 121.49 2jnc n ASN 94 Ca 0.00 -0.98 -0.17 0.00 -0.60 0.00 0.00 54.58 52.83 2jnc n ASN 94 Cb 0.00 -3.46 0.11 0.00 -0.53 0.00 0.00 39.78 35.91 2jnc n ASN 94 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2jnc n THR 95 N -4.22 2.58 0.59 -0.44 5.66 -1.26 -4.06 114.28 113.13 2jnc n THR 95 Ca -0.18 -1.42 0.10 0.00 -3.05 0.00 0.00 64.05 59.51 2jnc n THR 95 Cb 0.63 -0.72 -0.13 0.00 -1.55 0.00 0.00 70.33 68.56 2jnc n THR 95 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2jnc n THR 96 N -0.57 0.01 -0.80 1.09 -2.24 -1.25 -4.60 114.28 105.92 2jnc n THR 96 Ca 0.41 -0.20 -0.16 0.00 -2.27 0.00 0.00 64.05 61.83 2jnc n THR 96 Cb 1.22 0.58 0.13 0.00 -2.10 0.00 0.00 70.33 70.16 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 -1.81 -2.09 -4.66 -0.78 3.00 -1.26 -4.83 116.66 104.24 2jnc n ARG 97 Ca 0.01 -0.91 -0.30 0.00 -0.01 0.00 0.00 57.85 56.64 2jnc n ARG 97 Cb 0.43 -0.85 -0.08 0.00 0.00 0.00 0.00 32.46 31.96 2jnc n ARG 97 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2jnc s ASN 98 N -3.05 3.56 -0.31 0.55 3.84 -1.26 -0.94 114.94 117.33 2jnc s ASN 98 Ca 0.37 -1.68 0.06 0.00 0.21 0.00 0.00 52.86 51.82 2jnc s ASN 98 Cb -0.04 0.55 0.20 0.00 -0.55 0.00 0.00 41.25 41.42 2jnc s ASN 98 CO 0.28 -0.91 0.59 0.00 -2.79 0.00 0.00 177.10 174.28 2jnc s ALA 99 N -3.02 -2.39 -0.21 1.71 0.00 -1.22 -4.06 121.76 112.57 2jnc s ALA 99 Ca 0.13 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 2jnc s ALA 99 Cb 0.02 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2jnc s ALA 99 CO 0.08 -1.89 0.36 0.71 0.00 0.00 0.00 175.76 175.02 2jnc s TYR 100 N 2.68 3.35 -0.31 0.00 2.02 -1.26 0.15 117.35 123.98 2jnc s TYR 100 Ca 0.11 0.53 0.03 0.00 -0.37 0.00 0.00 57.07 57.37 2jnc s TYR 100 Cb -0.09 -2.49 0.09 0.00 -0.40 0.00 0.00 41.96 39.07 2jnc s TYR 100 CO -0.23 -0.02 0.03 0.50 -1.57 0.00 0.00 175.55 174.26 2jnc s ARG 101 N 1.35 1.42 0.32 -0.62 3.00 0.57 0.53 118.95 125.50 2jnc s ARG 101 Ca 0.17 -1.57 -0.19 0.00 -1.00 0.00 0.00 55.73 53.14 2jnc s ARG 101 Cb -0.15 -2.86 -0.09 0.00 0.00 0.00 0.00 34.95 31.85 2jnc s ARG 101 CO 0.08 -0.88 0.80 -2.00 0.00 0.00 0.00 175.30 173.30 2jnc s GLU 102 N 1.12 4.19 -0.61 5.12 2.56 -1.26 -0.18 118.70 129.63 2jnc s GLU 102 Ca 0.07 0.90 -0.02 0.00 0.00 0.00 0.00 54.97 55.92 2jnc s GLU 102 Cb -0.19 -2.55 0.38 0.00 2.00 0.00 0.00 34.13 33.78 2jnc s GLU 102 CO -0.11 0.20 2.06 0.00 -0.56 0.00 0.00 175.26 176.85 2jnc n LEU 104 N -0.58 0.00 -0.20 0.00 4.32 -0.08 -3.67 117.00 116.79 2jnc n LEU 104 Ca 0.55 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.72 2jnc n LEU 104 Cb 0.60 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.71 2jnc n LEU 104 CO 0.68 0.00 0.56 1.21 -1.22 0.00 0.00 177.39 178.62 2jnc n GLU 105 N 0.91 -0.02 0.31 3.23 2.13 0.48 0.25 120.64 127.93 2jnc n GLU 105 Ca 0.00 0.65 0.19 0.00 0.66 0.00 0.00 57.16 58.66 2jnc n GLU 105 Cb 0.00 -1.22 0.99 0.00 0.27 0.00 0.00 31.44 31.49 2jnc n GLU 105 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 2jnc h ASN 106 N 0.00 0.00 0.00 4.31 7.08 -1.83 -3.42 115.58 121.72 2jnc h ASN 106 Ca 0.43 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.65 2jnc h ASN 106 Cb 1.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.50 2jnc h ASN 106 CO -0.30 0.02 0.00 0.61 -2.08 0.00 0.00 177.43 175.68 2jnc n GLY 107 N -0.85 1.79 3.46 9.14 0.00 0.70 -5.08 105.19 114.34 2jnc n GLY 107 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 0.75 -0.20 2.61 -4.23 -0.92 -4.97 115.64 106.69 2jnc s THR 108 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 2jnc s THR 108 Cb 0.00 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2jnc s THR 108 CO 0.00 0.00 0.04 0.26 -0.54 0.00 0.00 174.62 174.38 2jnc s TRP 109 N -3.33 3.15 0.05 3.99 0.23 -1.26 -0.90 118.94 120.87 2jnc s TRP 109 Ca 0.30 -0.16 -0.30 0.00 -2.03 0.00 0.00 56.10 53.91 2jnc s TRP 109 Cb 0.05 -2.10 -0.04 0.00 0.03 0.00 0.00 33.47 31.41 2jnc s TRP 109 CO 0.15 -0.05 1.01 0.00 0.96 0.00 0.00 176.95 179.02 2jnc s ALA 110 N 0.76 3.22 -0.51 0.98 0.00 0.27 -4.89 121.76 121.60 2jnc s ALA 110 Ca 0.02 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 2jnc s ALA 110 Cb -0.14 -3.34 0.34 0.00 0.00 0.00 0.00 23.12 19.98 2jnc s ALA 110 CO 0.02 -0.20 2.03 -1.13 0.00 0.00 0.00 175.76 176.48 2jnc n SER 111 N 3.53 7.14 0.00 0.00 3.41 -1.26 -4.31 113.62 122.13 2jnc n SER 111 Ca 0.05 -3.45 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 2jnc n SER 111 Cb 0.50 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 -0.32 0.00 0.00 4.33 3.00 -1.26 -5.03 116.66 117.38 2jnc n ARG 112 Ca 0.48 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 2jnc n ARG 112 Cb 0.62 -0.71 0.00 0.00 0.00 0.00 0.00 32.46 32.37 2jnc n ARG 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jnc n VAL 113 N -1.22 0.00 -2.02 5.15 0.24 0.19 -4.80 118.33 115.87 2jnc n VAL 113 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 2jnc n VAL 113 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 2jnc n VAL 113 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jnc n ASN 114 N -3.57 -0.97 -0.03 -1.34 2.85 -1.26 -4.38 115.26 106.56 2jnc n ASN 114 Ca 0.00 -1.88 -0.12 0.00 -0.11 0.00 0.00 54.58 52.47 2jnc n ASN 114 Cb 0.00 0.31 -0.06 0.00 1.24 0.00 0.00 39.78 41.26 2jnc n ASN 114 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 2jnc h TYR 115 N 0.07 0.21 -0.62 1.20 -1.99 -1.87 -2.94 116.97 111.03 2jnc h TYR 115 Ca -0.52 -0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.27 2jnc h TYR 115 Cb 1.34 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 39.98 2jnc h TYR 115 CO -0.17 0.38 0.41 0.66 -0.00 0.00 0.00 178.16 179.45 2jnc h SER 116 N -0.02 0.43 0.06 3.88 4.64 -1.95 -0.40 113.55 120.18 2jnc h SER 116 Ca 0.04 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2jnc h SER 116 Cb 0.29 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jnc h SER 116 CO 0.00 0.26 -0.01 -0.74 -0.87 0.00 0.00 176.83 175.47 2jnc h HIS 117 N 0.48 0.00 -2.20 4.77 6.17 -1.90 -3.41 115.15 119.06 2jnc h HIS 117 Ca 0.28 0.00 -0.54 0.00 0.71 0.00 0.00 60.37 60.82 2jnc h HIS 117 Cb 0.47 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.38 2jnc h HIS 117 CO -0.00 0.01 1.40 0.00 0.71 0.00 0.00 177.93 180.06 2jnc n GLU 119 N 8.75 0.21 -2.70 0.00 1.02 -1.26 -5.01 120.64 121.65 2jnc n GLU 119 Ca 0.26 0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 57.29 2jnc n GLU 119 Cb 0.49 -1.73 0.07 0.00 -0.02 0.00 0.00 31.44 30.25 2jnc n GLU 119 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jnc s PRO 120 N -2.67 2.10 0.00 3.49 0.04 -1.26 -4.83 135.00 131.86 2jnc s PRO 120 Ca 0.63 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 60.55 2jnc s PRO 120 Cb -0.34 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2jnc s PRO 120 CO 0.61 -1.07 0.00 1.51 0.04 0.00 0.00 177.00 178.09