#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 -0.59 0.00 0.02 0.00 -0.00 -1.26 -5.13 115.22 108.26 2jnc n HIS 46 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 2jnc n HIS 46 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2jnc n HIS 46 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2jnc n ARG 47 N 0.00 0.00 0.00 1.57 0.63 -1.26 -4.71 116.66 112.89 2jnc n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jnc n ARG 47 Cb 0.00 -0.05 0.00 0.00 0.45 0.00 0.00 32.46 32.86 2jnc n ARG 47 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2jnc n THR 48 N -2.68 0.00 -3.48 5.15 5.66 -1.26 -4.91 114.28 112.76 2jnc n THR 48 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jnc n THR 48 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2jnc n THR 48 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2jnc n THR 49 N 0.00 0.00 -2.13 1.09 -1.04 -1.26 -4.78 114.28 106.16 2jnc n THR 49 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 2jnc n THR 49 Cb 0.00 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 2jnc n THR 49 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jnc s ILE 50 N 0.00 2.12 -0.42 12.58 1.09 -1.26 -4.89 121.20 130.42 2jnc s ILE 50 Ca 0.00 -0.19 -0.03 0.00 -1.10 0.00 0.00 60.65 59.32 2jnc s ILE 50 Cb 0.00 -2.93 -0.06 0.00 -1.06 0.00 0.00 42.46 38.41 2jnc s ILE 50 CO 0.00 0.00 1.75 0.61 -0.10 0.00 0.00 174.94 177.20 2jnc n GLY 51 N -3.24 2.37 4.34 6.18 0.00 -1.26 -4.52 105.19 109.06 2jnc n GLY 51 Ca 0.11 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 2jnc n GLY 51 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jnc n ASN 52 N 3.90 0.59 -1.05 1.61 5.15 -1.26 -4.81 115.26 119.39 2jnc n ASN 52 Ca 0.26 -1.27 0.01 0.00 -0.60 0.00 0.00 54.58 52.97 2jnc n ASN 52 Cb 0.18 -1.62 -0.00 0.00 -0.53 0.00 0.00 39.78 37.81 2jnc n ASN 52 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2jnc n PHE 53 N -4.52 0.00 -3.84 1.20 3.01 -1.26 -5.04 117.46 107.01 2jnc n PHE 53 Ca -0.27 -0.32 -0.23 0.00 1.01 0.00 0.00 57.45 57.64 2jnc n PHE 53 Cb 0.67 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 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 0.23 -1.66 0.37 4.37 7.64 -1.26 -4.85 113.62 118.46 2jnc n SER 54 Ca -0.03 -0.65 -0.18 0.00 1.01 0.00 0.00 58.87 59.02 2jnc n SER 54 Cb 0.89 -0.78 -0.09 0.00 -1.01 0.00 0.00 64.21 63.21 2jnc n SER 54 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jnc h GLY 55 N 0.15 -1.09 -0.47 0.23 0.00 -1.96 -3.45 103.07 96.48 2jnc h GLY 55 Ca -0.35 0.44 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 2jnc h GLY 55 CO 0.27 -0.38 0.07 -1.55 0.00 0.00 0.00 176.54 174.94 2jnc n PRO 56 N -5.54 0.19 -2.54 4.80 -0.04 -1.26 -5.12 135.00 125.49 2jnc n PRO 56 Ca -0.13 -0.98 -0.24 0.00 -0.04 0.00 0.00 63.50 62.11 2jnc n PRO 56 Cb 0.42 -0.30 0.10 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.22 1.90 -0.22 0.54 5.04 -1.26 -4.98 117.35 117.14 2jnc s TYR 57 Ca 0.26 -0.15 -0.30 0.00 -2.44 0.00 0.00 57.07 54.43 2jnc s TYR 57 Cb -0.01 -3.01 -0.07 0.00 0.35 0.00 0.00 41.96 39.21 2jnc s TYR 57 CO 0.17 -1.59 2.18 2.41 -1.34 0.00 0.00 175.55 177.38 2jnc n THR 58 N -2.80 0.35 -4.22 4.34 -1.04 -1.26 -4.95 114.28 104.70 2jnc n THR 58 Ca 0.13 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.05 61.64 2jnc n THR 58 Cb 0.60 -2.28 -0.10 0.00 -1.82 0.00 0.00 70.33 66.73 2jnc n THR 58 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2jnc s TYR 59 N 7.54 1.18 0.97 -1.42 5.04 -1.24 -4.63 117.35 124.80 2jnc s TYR 59 Ca 1.02 -0.75 -0.12 0.00 -2.44 0.00 0.00 57.07 54.77 2jnc s TYR 59 Cb -0.49 -0.62 0.10 0.00 0.35 0.00 0.00 41.96 41.30 2jnc s TYR 59 CO 0.40 0.04 0.69 0.00 -1.34 0.00 0.00 175.55 175.33 2jnc s ASN 61 N -2.26 0.47 -0.29 0.00 2.47 -1.26 -4.37 114.94 109.69 2jnc s ASN 61 Ca 0.61 -0.43 -0.36 0.00 0.42 0.00 0.00 52.86 53.10 2jnc s ASN 61 Cb -0.21 0.05 -0.12 0.00 -1.45 0.00 0.00 41.25 39.52 2jnc s ASN 61 CO 0.64 -0.21 2.05 0.41 -3.72 0.00 0.00 177.10 176.28 2jnc n THR 62 N 1.81 0.28 -4.12 -5.21 -1.04 -1.23 -4.46 114.28 100.30 2jnc n THR 62 Ca -0.21 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.05 61.45 2jnc n THR 62 Cb 0.56 -1.60 -0.11 0.00 -1.82 0.00 0.00 70.33 67.35 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 6.07 0.79 -0.06 12.58 -1.32 0.13 -4.84 115.64 128.98 2jnc s THR 63 Ca 1.05 -1.27 0.03 0.00 -1.21 0.00 0.00 61.69 60.29 2jnc s THR 63 Cb -0.87 -0.91 -0.02 0.00 -1.51 0.00 0.00 72.50 69.18 2jnc s THR 63 CO 0.53 -0.38 -0.14 -0.22 -2.21 0.00 0.00 174.62 172.19 2jnc s LEU 64 N -1.82 2.72 0.00 9.08 2.96 -1.26 0.21 118.68 130.57 2jnc s LEU 64 Ca -0.04 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 2jnc s LEU 64 Cb -0.08 -1.56 0.11 0.00 0.50 0.00 0.00 46.19 45.16 2jnc s LEU 64 CO 0.01 0.33 0.84 -0.67 -1.32 0.00 0.00 176.35 175.53 2jnc n ASP 65 N 2.42 1.61 -0.24 3.68 -0.08 -1.15 -4.97 116.55 117.81 2jnc n ASP 65 Ca -0.17 -2.24 0.19 0.00 -1.51 0.00 0.00 54.79 51.06 2jnc n ASP 65 Cb 0.52 -0.50 0.51 0.00 2.34 0.00 0.00 41.12 44.00 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 0.39 -6.70 -0.67 4.20 -2.00 -3.41 115.11 106.91 2jnc h GLN 66 Ca -0.28 -0.02 -0.50 0.00 0.06 0.00 0.00 58.65 57.90 2jnc h GLN 66 Cb 1.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2jnc h GLN 66 CO 0.34 0.26 0.02 0.96 -0.67 0.00 0.00 178.83 179.75 2jnc s ILE 67 N -5.42 4.86 -0.40 2.54 -4.36 -1.26 -4.94 121.20 112.21 2jnc s ILE 67 Ca -0.08 0.48 -0.10 0.00 -0.26 0.00 0.00 60.65 60.69 2jnc s ILE 67 Cb 0.23 -3.71 -0.10 0.00 1.25 0.00 0.00 42.46 40.12 2jnc s ILE 67 CO 0.78 -0.40 1.58 0.61 0.24 0.00 0.00 174.94 177.76 2jnc n GLY 68 N -1.01 2.07 2.77 6.27 0.00 -1.26 -4.74 105.19 109.29 2jnc n GLY 68 Ca 0.01 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 4.82 0.51 -0.29 2.61 2.01 -1.26 -5.07 115.64 118.97 2jnc s THR 69 Ca 0.32 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 2jnc s THR 69 Cb 0.08 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 2jnc s THR 69 CO 0.06 0.06 0.50 0.00 -0.69 0.00 0.00 174.62 174.56 2jnc s TRP 71 N 2.32 3.12 0.10 0.00 0.52 0.58 -4.87 118.94 120.71 2jnc s TRP 71 Ca 0.20 -1.15 -0.02 0.00 0.02 0.00 0.00 56.10 55.16 2jnc s TRP 71 Cb -0.16 -3.97 0.03 0.00 -1.15 0.00 0.00 33.47 28.22 2jnc s TRP 71 CO 0.10 -1.23 0.07 -0.35 0.02 0.00 0.00 176.95 175.57 2jnc n PRO 72 N 5.92 -1.84 -2.48 4.98 -0.04 -1.26 0.17 135.00 140.44 2jnc n PRO 72 Ca -0.06 -0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 62.88 2jnc n PRO 72 Cb 0.43 -0.13 -0.03 0.00 -0.04 0.00 0.00 33.50 33.73 2jnc n PRO 72 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2jnc s GLN 73 N -3.16 3.20 0.00 0.54 -0.44 -1.26 -4.22 119.66 114.32 2jnc s GLN 73 Ca 0.05 -0.35 0.00 0.00 -2.50 0.00 0.00 55.36 52.56 2jnc s GLN 73 Cb -0.01 -4.49 0.00 0.00 -1.64 0.00 0.00 33.01 26.88 2jnc s GLN 73 CO 0.04 -2.26 0.00 0.45 0.50 0.00 0.00 175.29 174.02 2jnc n SER 74 N 9.77 0.00 0.00 6.67 2.88 -1.26 -4.90 113.62 126.77 2jnc n SER 74 Ca 0.13 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2jnc n SER 74 Cb 0.50 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -2.06 0.00 -2.13 -1.46 0.00 -1.26 -4.91 120.51 108.69 2jnc n ALA 75 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2jnc n ALA 75 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2jnc n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jnc s PRO 76 N -1.21 3.47 0.00 0.00 0.04 -1.26 -3.14 135.00 132.91 2jnc s PRO 76 Ca 0.00 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2jnc s PRO 76 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2jnc s PRO 76 CO 0.00 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.76 2jnc n GLY 77 N 5.22 1.31 2.85 0.56 0.00 0.45 -4.37 105.19 111.21 2jnc n GLY 77 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 -0.11 -0.14 4.61 0.00 -0.92 -4.94 121.76 118.26 2jnc s ALA 78 Ca 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 2jnc s ALA 78 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2jnc s ALA 78 CO 0.00 -0.15 -0.01 -1.17 0.00 0.00 0.00 175.76 174.43 2jnc s LEU 79 N 1.16 3.43 0.01 0.00 0.20 -1.26 0.72 118.68 122.94 2jnc s LEU 79 Ca -0.09 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.73 2jnc s LEU 79 Cb -0.12 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 2jnc s LEU 79 CO -0.05 0.23 0.00 -0.69 -0.29 0.00 0.00 176.35 175.55 2jnc s VAL 80 N 0.01 4.14 0.03 1.68 1.01 0.22 -4.92 120.40 122.57 2jnc s VAL 80 Ca 0.02 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2jnc s VAL 80 Cb -0.13 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2jnc s VAL 80 CO 0.02 0.34 -0.23 -1.61 0.00 0.00 0.00 175.10 173.62 2jnc s GLU 81 N -1.65 1.95 -0.07 2.72 8.01 -1.26 0.19 118.70 128.59 2jnc s GLU 81 Ca 0.20 -1.03 -0.29 0.00 0.01 0.00 0.00 54.97 53.86 2jnc s GLU 81 Cb -0.12 -2.07 0.07 0.00 -4.31 0.00 0.00 34.13 27.70 2jnc s GLU 81 CO 0.11 0.53 0.65 -0.98 0.01 0.00 0.00 175.26 175.59 2jnc s ARG 82 N -1.21 1.00 0.44 1.61 1.04 0.49 -4.97 118.95 117.35 2jnc s ARG 82 Ca 0.12 0.30 -0.18 0.00 -1.04 0.00 0.00 55.73 54.93 2jnc s ARG 82 Cb -0.10 0.47 -0.10 0.00 -2.04 0.00 0.00 34.95 33.19 2jnc s ARG 82 CO 0.03 -0.29 0.93 -1.25 -0.04 0.00 0.00 175.30 174.67 2jnc s PRO 83 N -1.03 4.09 0.81 3.89 0.04 -1.26 0.18 135.00 141.72 2jnc s PRO 83 Ca -0.10 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 61.78 2jnc s PRO 83 Cb -0.01 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 32.36 2jnc s PRO 83 CO 0.09 -0.09 0.83 0.00 0.04 0.00 0.00 177.00 177.87 2jnc n PRO 85 N -2.14 0.88 0.00 0.00 -0.04 -1.26 -4.87 135.00 127.57 2jnc n PRO 85 Ca 0.11 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2jnc n PRO 85 Cb 0.51 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2jnc n PRO 85 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jnc n GLU 86 N 2.14 0.00 -2.22 0.54 2.13 -1.26 -4.52 120.64 117.45 2jnc n GLU 86 Ca 0.12 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.54 2jnc n GLU 86 Cb 0.42 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.10 2jnc n GLU 86 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2jnc s TYR 87 N 0.00 1.89 0.18 4.31 5.04 -1.26 -4.72 117.35 122.80 2jnc s TYR 87 Ca 0.00 0.50 0.08 0.00 -2.44 0.00 0.00 57.07 55.21 2jnc s TYR 87 Cb 0.00 -4.28 -0.04 0.00 0.35 0.00 0.00 41.96 37.99 2jnc s TYR 87 CO 0.00 -2.23 -0.16 0.12 -1.34 0.00 0.00 175.55 171.94 2jnc s PHE 88 N 7.81 1.76 -1.07 4.97 5.36 -1.13 -4.73 117.98 130.96 2jnc s PHE 88 Ca 0.56 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 2jnc s PHE 88 Cb -0.11 -0.85 0.00 0.00 -0.34 0.00 0.00 43.02 41.72 2jnc s PHE 88 CO 0.19 0.35 0.00 0.09 -1.46 0.00 0.00 175.22 174.39 2jnc n ASN 89 N -0.03 -3.43 -0.23 6.13 4.13 -1.26 0.87 115.26 121.44 2jnc n ASN 89 Ca -0.11 0.24 -0.03 0.00 1.68 0.00 0.00 54.58 56.37 2jnc n ASN 89 Cb 0.59 -3.04 -0.01 0.00 -1.54 0.00 0.00 39.78 35.77 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jnc n GLY 90 N -0.56 0.50 3.81 7.41 0.00 -1.26 -5.00 105.19 110.10 2jnc n GLY 90 Ca -0.13 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2jnc n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jnc s ILE 91 N -1.73 4.83 -0.52 -0.61 1.10 0.25 -5.05 121.20 119.48 2jnc s ILE 91 Ca 0.00 -0.53 0.03 0.00 -0.51 0.00 0.00 60.65 59.65 2jnc s ILE 91 Cb 0.00 -3.29 0.41 0.00 0.15 0.00 0.00 42.46 39.73 2jnc s ILE 91 CO 0.00 0.22 1.32 1.17 -2.11 0.00 0.00 174.94 175.54 2jnc n LYS 92 N 0.71 3.28 -3.15 3.50 0.00 -1.26 -2.84 118.16 118.41 2jnc n LYS 92 Ca -0.10 -4.27 0.05 0.00 0.00 0.00 0.00 58.31 54.00 2jnc n LYS 92 Cb 0.52 -2.26 -0.01 0.00 0.00 0.00 0.00 35.03 33.29 2jnc n LYS 92 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2jnc s TYR 93 N -3.66 -0.91 0.00 5.64 -0.85 -1.26 -5.06 117.35 111.25 2jnc s TYR 93 Ca 0.49 0.69 0.00 0.00 -0.52 0.00 0.00 57.07 57.73 2jnc s TYR 93 Cb 0.41 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.97 2jnc s TYR 93 CO -0.23 -0.52 0.00 0.27 -1.52 0.00 0.00 175.55 173.56 2jnc n ASN 94 N 5.31 0.00 -3.12 -0.18 6.94 -1.26 -0.47 115.26 122.48 2jnc n ASN 94 Ca 0.03 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.41 2jnc n ASN 94 Cb 0.55 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.92 2jnc n ASN 94 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2jnc n THR 95 N 0.00 -0.69 0.00 5.53 -2.24 -1.26 -4.72 114.28 110.89 2jnc n THR 95 Ca 0.00 -2.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.17 2jnc n THR 95 Cb 0.00 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.60 0.00 -0.86 4.28 -2.24 -1.26 -5.13 114.28 111.66 2jnc n THR 96 Ca 0.24 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.79 2jnc n THR 96 Cb 0.52 -0.17 0.19 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.15 -2.74 -4.19 -0.78 3.00 -1.26 -4.99 116.66 103.54 2jnc n ARG 97 Ca 0.00 -1.31 -0.11 0.00 -0.01 0.00 0.00 57.85 56.42 2jnc n ARG 97 Cb 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 32.46 31.11 2jnc n ARG 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2jnc s ASN 98 N -3.67 0.74 -0.39 0.55 0.01 -1.26 -4.42 114.94 106.49 2jnc s ASN 98 Ca 0.53 -1.19 -0.09 0.00 -0.71 0.00 0.00 52.86 51.40 2jnc s ASN 98 Cb -0.06 0.21 0.06 0.00 0.41 0.00 0.00 41.25 41.87 2jnc s ASN 98 CO 0.41 -0.66 0.21 0.00 -1.51 0.00 0.00 177.10 175.56 2jnc s ALA 99 N -3.86 3.23 -0.13 0.60 0.00 0.49 -4.12 121.76 117.97 2jnc s ALA 99 Ca 0.24 -1.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.17 2jnc s ALA 99 Cb 0.07 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2jnc s ALA 99 CO 0.03 -1.52 0.14 0.71 0.00 0.00 0.00 175.76 175.12 2jnc s TYR 100 N 1.45 3.57 -0.24 0.00 1.51 -1.26 -0.38 117.35 122.00 2jnc s TYR 100 Ca 0.02 0.50 0.02 0.00 -1.01 0.00 0.00 57.07 56.60 2jnc s TYR 100 Cb -0.21 -1.98 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 2jnc s TYR 100 CO 0.03 0.66 -0.08 1.03 -1.11 0.00 0.00 175.55 176.09 2jnc s ARG 101 N -0.79 1.88 0.24 -0.62 1.81 0.51 0.10 118.95 122.08 2jnc s ARG 101 Ca 0.14 -1.10 -0.17 0.00 -1.72 0.00 0.00 55.73 52.89 2jnc s ARG 101 Cb -0.12 -2.67 -0.08 0.00 -0.45 0.00 0.00 34.95 31.63 2jnc s ARG 101 CO 0.03 -0.57 0.69 -2.00 -0.68 0.00 0.00 175.30 172.77 2jnc s GLU 102 N 1.30 4.11 -0.55 3.54 2.12 -1.26 0.73 118.70 128.68 2jnc s GLU 102 Ca -0.06 0.71 -0.04 0.00 0.36 0.00 0.00 54.97 55.94 2jnc s GLU 102 Cb -0.19 -2.75 0.14 0.00 0.26 0.00 0.00 34.13 31.60 2jnc s GLU 102 CO -0.06 0.34 0.37 0.00 -0.54 0.00 0.00 175.26 175.37 2jnc n LEU 104 N 3.99 -0.19 0.00 0.00 4.32 0.16 0.17 117.00 125.45 2jnc n LEU 104 Ca 0.03 1.14 0.04 0.00 -0.02 0.00 0.00 56.01 57.20 2jnc n LEU 104 Cb 0.40 -1.01 0.22 0.00 -1.62 0.00 0.00 43.42 41.40 2jnc n LEU 104 CO 0.34 -2.26 0.61 -1.84 -1.22 0.00 0.00 177.39 173.03 2jnc n GLU 105 N 1.27 0.94 -0.12 3.23 0.00 -1.26 -3.17 120.64 121.53 2jnc n GLU 105 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.43 2jnc n GLU 105 Cb 0.20 -1.12 0.13 0.00 0.00 0.00 0.00 31.44 30.65 2jnc n GLU 105 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2jnc n ASN 106 N -0.62 2.10 0.00 -1.84 6.94 -1.26 -4.71 115.26 115.87 2jnc n ASN 106 Ca 0.05 -2.99 0.00 0.00 -0.02 0.00 0.00 54.58 51.63 2jnc n ASN 106 Cb 0.02 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 2jnc n ASN 106 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jnc n GLY 107 N -1.29 -1.60 0.00 4.83 0.00 -1.19 -5.02 105.19 100.92 2jnc n GLY 107 Ca 0.14 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2jnc n GLY 107 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jnc n THR 108 N 0.00 0.00 -1.47 2.61 5.66 -1.21 -2.14 114.28 117.73 2jnc n THR 108 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 2jnc n THR 108 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2jnc n THR 108 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2jnc n TRP 109 N 0.00 -0.28 -0.28 1.09 7.02 -1.26 0.41 117.44 124.14 2jnc n TRP 109 Ca 0.00 0.64 0.00 0.00 -1.02 0.00 0.00 57.50 57.12 2jnc n TRP 109 Cb 0.00 -2.02 0.00 0.00 -2.42 0.00 0.00 31.31 26.87 2jnc n TRP 109 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jnc n ALA 110 N -0.68 0.00 -3.05 6.99 0.00 0.62 -4.58 120.51 119.81 2jnc n ALA 110 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.39 2jnc n ALA 110 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 2jnc n ALA 110 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jnc n SER 111 N 0.00 -0.31 0.00 0.00 3.41 -1.26 -4.89 113.62 110.56 2jnc n SER 111 Ca 0.00 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 2jnc n SER 111 Cb 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2jnc n SER 111 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jnc n ARG 112 N 0.62 0.00 -3.00 4.33 1.74 -1.26 -5.07 116.66 114.02 2jnc n ARG 112 Ca 0.19 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.26 2jnc n ARG 112 Cb 0.64 -0.01 -0.01 0.00 -1.02 0.00 0.00 32.46 32.07 2jnc n ARG 112 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2jnc n VAL 113 N -0.65 -4.77 -2.59 1.55 3.14 0.29 -4.81 118.33 110.49 2jnc n VAL 113 Ca 0.00 0.87 -0.43 0.00 -2.96 0.00 0.00 64.34 61.82 2jnc n VAL 113 Cb 0.00 -3.94 0.00 0.00 -1.06 0.00 0.00 33.84 28.84 2jnc n VAL 113 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2jnc n ASN 114 N 1.69 4.92 0.00 6.55 5.15 -1.26 -4.83 115.26 127.49 2jnc n ASN 114 Ca -0.06 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 50.99 2jnc n ASN 114 Cb 0.28 -1.70 0.01 0.00 -0.53 0.00 0.00 39.78 37.84 2jnc n ASN 114 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2jnc n TYR 115 N 7.51 0.00 -0.33 1.20 4.01 -1.26 -3.73 117.16 124.56 2jnc n TYR 115 Ca 0.46 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 58.43 2jnc n TYR 115 Cb 0.44 0.00 0.50 0.00 -0.31 0.00 0.00 39.34 39.98 2jnc n TYR 115 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2jnc h SER 116 N 0.00 0.45 -0.01 7.72 0.02 -1.88 1.01 113.55 120.87 2jnc h SER 116 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2jnc h SER 116 Cb 0.00 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jnc h SER 116 CO 0.00 0.08 0.14 -0.74 -1.14 0.00 0.00 176.83 175.17 2jnc h HIS 117 N 0.40 0.00 -0.01 3.45 -0.00 -1.77 0.21 115.15 117.43 2jnc h HIS 117 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.97 2jnc h HIS 117 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 2jnc h HIS 117 CO -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 177.93 177.72 2jnc s GLU 119 N -2.48 4.22 0.30 0.00 2.02 0.73 -4.59 118.70 118.90 2jnc s GLU 119 Ca 0.26 2.33 -0.30 0.00 0.02 0.00 0.00 54.97 57.29 2jnc s GLU 119 Cb 0.20 -3.30 -0.12 0.00 0.10 0.00 0.00 34.13 31.00 2jnc s GLU 119 CO 0.50 -0.64 1.48 -2.30 0.02 0.00 0.00 175.26 174.32 2jnc n PRO 120 N 4.49 2.43 0.00 0.39 -0.02 -1.26 -4.55 135.00 136.47 2jnc n PRO 120 Ca 0.14 0.86 0.13 0.00 -2.02 0.00 0.00 63.50 62.61 2jnc n PRO 120 Cb 0.39 -2.57 0.27 0.00 -0.02 0.00 0.00 33.50 31.57 2jnc n PRO 120 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59