#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjp h GLY 2 N 0.00 -0.16 2.00 4.83 0.00 -1.97 -3.23 103.07 104.54 2kjp h GLY 2 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2kjp h GLY 2 CO 0.00 -0.06 0.00 0.29 0.00 0.00 0.00 176.54 176.77 2kjp n ILE 3 N -2.83 0.89 -3.54 2.60 -5.35 -1.26 -4.49 119.36 105.38 2kjp n ILE 3 Ca -0.02 0.25 -0.16 0.00 -0.27 0.00 0.00 62.75 62.55 2kjp n ILE 3 Cb 0.06 -1.14 -0.13 0.00 -1.74 0.00 0.00 39.64 36.69 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2kjp s TYR 4 N -3.24 -0.34 -0.43 4.28 5.04 -1.24 -4.27 117.35 117.14 2kjp s TYR 4 Ca 0.05 0.48 -0.28 0.00 -2.44 0.00 0.00 57.07 54.88 2kjp s TYR 4 Cb 0.09 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.16 2kjp s TYR 4 CO 0.35 -0.51 1.53 0.00 -1.34 0.00 0.00 175.55 175.58 2kjp s ALA 5 N 2.36 2.90 0.01 3.97 0.00 -1.22 -1.00 121.76 128.78 2kjp s ALA 5 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 2kjp s ALA 5 Cb -0.14 -4.01 -0.26 0.00 0.00 0.00 0.00 23.12 18.70 2kjp s ALA 5 CO -0.11 -2.65 0.87 1.03 0.00 0.00 0.00 175.76 174.89 2kjp h SER 6 N 11.56 0.30 -4.77 0.00 0.87 -1.95 -1.76 113.55 117.79 2kjp h SER 6 Ca -0.29 -0.43 0.06 0.00 -1.23 0.00 0.00 61.79 59.91 2kjp h SER 6 Cb 1.12 -0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 2kjp h SER 6 CO 1.10 1.36 0.39 -0.94 -0.53 0.00 0.00 176.83 178.21 2kjp s SER 7 N -6.84 -0.44 0.01 6.23 1.04 -1.26 -4.84 113.70 107.60 2kjp s SER 7 Ca -0.08 -0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 2kjp s SER 7 Cb 0.07 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2kjp s SER 7 CO 0.84 -0.75 0.24 -0.69 0.98 0.00 0.00 173.24 173.87 2kjp s VAL 8 N -3.35 0.08 -0.00 5.02 1.01 -1.26 -4.95 120.40 116.95 2kjp s VAL 8 Ca 0.04 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 2kjp s VAL 8 Cb -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 2kjp s VAL 8 CO -0.10 -0.35 0.45 -0.69 0.00 0.00 0.00 175.10 174.41 2kjp s VAL 9 N -1.72 4.99 0.61 2.92 1.01 -1.26 -5.08 120.40 121.87 2kjp s VAL 9 Ca -0.11 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 2kjp s VAL 9 Cb -0.05 -3.77 0.14 0.00 0.00 0.00 0.00 36.38 32.71 2kjp s VAL 9 CO 0.01 0.53 0.32 1.21 0.00 0.00 0.00 175.10 177.18 2kjp n GLU 10 N 2.10 -2.13 -3.05 2.72 4.07 -1.26 -3.90 120.64 119.19 2kjp n GLU 10 Ca -0.12 -0.54 -0.21 0.00 -0.06 0.00 0.00 57.16 56.22 2kjp n GLU 10 Cb 0.52 -0.82 0.01 0.00 -0.06 0.00 0.00 31.44 31.09 2kjp n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2kjp n ASN 11 N -3.00 -4.91 -4.59 4.31 5.15 -1.26 -4.98 115.26 105.98 2kjp n ASN 11 Ca 0.05 -0.25 -0.23 0.00 -0.60 0.00 0.00 54.58 53.55 2kjp n ASN 11 Cb 0.22 -4.02 -0.08 0.00 -0.53 0.00 0.00 39.78 35.37 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kjp s MET 12 N -5.70 2.10 0.00 1.20 -1.94 -1.25 -4.94 119.30 108.77 2kjp s MET 12 Ca 0.29 -1.55 0.00 0.00 -1.71 0.00 0.00 55.69 52.71 2kjp s MET 12 Cb -0.14 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.67 2kjp s MET 12 CO 0.35 0.33 0.49 -0.35 -0.01 0.00 0.00 175.02 175.84 2kjp n PRO 13 N -0.83 0.00 0.00 2.03 -0.04 -1.26 -4.33 135.00 130.57 2kjp n PRO 13 Ca -0.06 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2kjp n PRO 13 Cb 0.60 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2kjp n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kjp n ALA 14 N -0.99 0.00 -1.49 0.55 0.00 -1.26 -4.40 120.51 112.91 2kjp n ALA 14 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2kjp n ALA 14 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.51 2kjp n ALA 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kjp n LYS 15 N -1.64 0.62 0.00 0.00 4.81 -1.26 -1.05 118.16 119.64 2kjp n LYS 15 Ca 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2kjp n LYS 15 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.11 2kjp n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kjp n GLY 16 N 1.53 0.00 2.66 3.14 0.00 -1.26 -4.76 105.19 106.49 2kjp n GLY 16 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2kjp n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kjp s LYS 17 N 0.00 0.45 -0.13 1.61 -2.85 -0.21 -4.79 119.74 113.81 2kjp s LYS 17 Ca 0.00 -0.56 -0.15 0.00 -1.00 0.00 0.00 55.97 54.25 2kjp s LYS 17 Cb 0.00 -1.77 -0.05 0.00 -2.06 0.00 0.00 37.83 33.95 2kjp s LYS 17 CO 0.00 -0.84 0.37 -1.50 0.10 0.00 0.00 175.35 173.48 2kjp s ILE 18 N 1.91 5.23 0.00 3.79 1.10 -1.24 -4.29 121.20 127.71 2kjp s ILE 18 Ca 0.05 0.73 0.00 0.00 -0.51 0.00 0.00 60.65 60.92 2kjp s ILE 18 Cb -0.17 -3.71 0.00 0.00 0.15 0.00 0.00 42.46 38.74 2kjp s ILE 18 CO -0.21 0.39 0.00 -0.62 -2.11 0.00 0.00 174.94 172.39 2kjp n GLU 19 N 3.40 1.80 -1.62 3.50 4.71 -1.26 -4.74 120.64 126.43 2kjp n GLU 19 Ca -0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.05 2kjp n GLU 19 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 2kjp n GLU 19 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2kjp n VAL 20 N -0.47 -2.97 0.00 2.62 0.31 -1.26 -4.45 118.33 112.11 2kjp n VAL 20 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2kjp n VAL 20 Cb 0.00 -4.29 0.00 0.00 -0.91 0.00 0.00 33.84 28.64 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kjp n GLY 21 N 0.03 3.05 3.76 2.92 0.00 -0.66 -5.01 105.19 109.28 2kjp n GLY 21 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2kjp n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 22 N -0.82 5.98 -0.02 1.61 1.01 -1.26 -4.84 116.67 118.33 2kjp s ASP 22 Ca 0.00 2.57 -0.00 0.00 0.71 0.00 0.00 52.55 55.83 2kjp s ASP 22 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2kjp s ASP 22 CO 0.00 -1.07 0.05 -0.75 0.21 0.00 0.00 175.17 173.61 2kjp s LYS 23 N -2.57 3.00 -0.24 8.23 2.20 -1.26 -3.87 119.74 125.23 2kjp s LYS 23 Ca 0.63 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.68 2kjp s LYS 23 Cb -0.36 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 2kjp s LYS 23 CO 0.44 0.65 0.05 0.96 -0.36 0.00 0.00 175.35 177.09 2kjp s ILE 24 N -1.13 4.23 0.02 5.43 -0.00 -1.26 -2.14 121.20 126.34 2kjp s ILE 24 Ca 0.21 -0.21 -0.22 0.00 -0.00 0.00 0.00 60.65 60.43 2kjp s ILE 24 Cb -0.12 -2.96 -0.16 0.00 -0.00 0.00 0.00 42.46 39.22 2kjp s ILE 24 CO 0.11 0.37 1.32 0.40 -0.00 0.00 0.00 174.94 177.14 2kjp h ILE 25 N 5.49 1.36 -2.38 8.37 2.04 -1.91 -3.48 117.51 127.00 2kjp h ILE 25 Ca -0.38 -1.26 0.11 0.00 1.00 0.00 0.00 64.86 64.33 2kjp h ILE 25 Cb 1.17 1.97 -0.13 0.00 -0.74 0.00 0.00 36.82 39.10 2kjp h ILE 25 CO 0.59 0.36 0.46 -0.94 0.00 0.00 0.00 178.15 178.62 2kjp s SER 26 N -5.99 -0.34 0.00 1.72 1.04 -1.26 -4.77 113.70 104.10 2kjp s SER 26 Ca -0.15 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2kjp s SER 26 Cb 0.04 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2kjp s SER 26 CO 0.73 -0.73 0.00 0.00 0.98 0.00 0.00 173.24 174.22 2kjp n ALA 27 N -0.31 0.00 -2.28 5.32 0.00 -1.25 -2.54 120.51 119.45 2kjp n ALA 27 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 2kjp n ALA 27 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 2kjp n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kjp n ASP 28 N 0.00 7.73 0.00 0.00 2.03 -1.21 -3.91 116.55 121.18 2kjp n ASP 28 Ca 0.00 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.92 2kjp n ASP 28 Cb 0.00 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kjp n GLY 29 N 0.89 0.14 3.52 0.27 0.00 -1.26 -4.91 105.19 103.84 2kjp n GLY 29 Ca 0.55 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 2kjp n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 30 N -0.65 3.65 0.89 1.61 2.36 -1.26 -5.09 119.74 121.25 2kjp s LYS 30 Ca 0.00 -0.52 -0.11 0.00 -2.55 0.00 0.00 55.97 52.79 2kjp s LYS 30 Cb 0.00 -3.64 0.13 0.00 -1.05 0.00 0.00 37.83 33.27 2kjp s LYS 30 CO 0.00 -0.31 1.09 0.54 1.55 0.00 0.00 175.35 178.22 2kjp s ASN 31 N 1.70 3.46 -0.33 1.43 2.20 -1.26 -3.87 114.94 118.26 2kjp s ASN 31 Ca 0.06 1.56 0.02 0.00 -0.94 0.00 0.00 52.86 53.57 2kjp s ASN 31 Cb -0.16 -2.23 0.15 0.00 -2.00 0.00 0.00 41.25 37.01 2kjp s ASN 31 CO 0.09 -2.66 0.39 -0.31 -2.94 0.00 0.00 177.10 171.67 2kjp s TYR 32 N -2.90 -0.66 0.11 1.54 2.02 -1.26 -5.02 117.35 111.18 2kjp s TYR 32 Ca 0.63 -0.26 -0.17 0.00 -0.37 0.00 0.00 57.07 56.91 2kjp s TYR 32 Cb -0.18 -0.29 -0.05 0.00 -0.40 0.00 0.00 41.96 41.04 2kjp s TYR 32 CO 0.57 -0.98 1.58 0.37 -1.57 0.00 0.00 175.55 175.52 2kjp h GLN 33 N 7.65 0.52 -5.83 -0.62 5.75 -1.99 -3.41 115.11 117.17 2kjp h GLN 33 Ca -0.03 -0.14 -0.58 0.00 -0.15 0.00 0.00 58.65 57.75 2kjp h GLN 33 Cb 1.09 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.50 2kjp h GLN 33 CO 0.24 0.61 0.22 -1.12 -2.65 0.00 0.00 178.83 176.13 2kjp s SER 34 N -5.93 6.84 0.30 -0.69 0.01 -1.26 -4.95 113.70 108.01 2kjp s SER 34 Ca -0.13 1.02 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 2kjp s SER 34 Cb 0.09 -2.40 0.46 0.00 0.21 0.00 0.00 66.02 64.37 2kjp s SER 34 CO 0.75 -0.29 1.92 0.00 0.41 0.00 0.00 173.24 176.03 2kjp h ALA 35 N 7.30 1.36 -0.72 1.44 0.00 -2.01 -2.32 119.26 124.31 2kjp h ALA 35 Ca -0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kjp h ALA 35 Cb 1.15 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2kjp h ALA 35 CO 0.80 0.52 0.46 0.93 0.00 0.00 0.00 179.25 181.96 2kjp h GLU 36 N 0.97 0.96 -0.58 0.00 5.08 -1.96 -2.11 114.58 116.93 2kjp h GLU 36 Ca 0.25 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2kjp h GLU 36 Cb 0.02 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2kjp h GLU 36 CO -0.04 0.65 0.13 -0.22 -1.00 0.00 0.00 179.01 178.54 2kjp h LYS 37 N 0.98 0.91 -0.57 2.33 1.63 -1.83 -2.41 116.57 117.62 2kjp h LYS 37 Ca 0.26 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2kjp h LYS 37 Cb -0.08 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 2kjp h LYS 37 CO -0.05 0.82 0.37 1.25 -3.45 0.00 0.00 179.45 178.39 2kjp h LEU 38 N 0.87 0.66 -0.30 5.20 5.85 -1.30 0.60 115.31 126.90 2kjp h LEU 38 Ca 0.19 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2kjp h LEU 38 Cb 0.33 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2kjp h LEU 38 CO 0.00 0.49 0.14 0.40 -0.34 0.00 0.00 178.44 179.13 2kjp h ILE 39 N 0.77 1.16 -0.81 4.05 1.08 -1.39 -2.71 117.51 119.66 2kjp h ILE 39 Ca 0.21 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 2kjp h ILE 39 Cb -0.07 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 2kjp h ILE 39 CO -0.04 0.17 0.45 -0.78 -0.69 0.00 0.00 178.15 177.26 2kjp h ASP 40 N 0.35 0.99 -0.26 1.72 3.58 -1.06 -1.67 116.42 120.07 2kjp h ASP 40 Ca 0.10 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.51 2kjp h ASP 40 Cb 0.14 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2kjp h ASP 40 CO -0.01 0.79 0.08 0.22 -2.88 0.00 0.00 179.24 177.43 2kjp h TYR 41 N 1.12 0.14 -0.68 0.28 3.20 -0.58 -2.14 116.97 118.31 2kjp h TYR 41 Ca 0.29 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 2kjp h TYR 41 Cb 0.00 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2kjp h TYR 41 CO 0.01 0.06 0.27 0.82 -1.64 0.00 0.00 178.16 177.68 2kjp h ILE 42 N 0.19 1.24 -2.41 1.81 1.08 -1.26 -3.47 117.51 114.70 2kjp h ILE 42 Ca 0.12 -0.76 -0.41 0.00 -0.39 0.00 0.00 64.86 63.41 2kjp h ILE 42 Cb 0.09 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.25 2kjp h ILE 42 CO -0.13 0.30 -0.49 -1.20 -0.69 0.00 0.00 178.15 175.94 2kjp n SER 43 N -4.39 -5.76 0.00 1.72 7.64 -0.65 -1.35 113.62 110.83 2kjp n SER 43 Ca 0.05 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2kjp n SER 43 Cb 0.17 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.52 2kjp n SER 43 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kjp n SER 44 N -1.77 -4.39 -3.29 6.43 2.88 -1.26 -4.83 113.62 107.38 2kjp n SER 44 Ca -0.23 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.04 2kjp n SER 44 Cb 0.68 -2.90 -0.03 0.00 -0.75 0.00 0.00 64.21 61.21 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kjp n LYS 45 N -0.06 1.63 -4.15 -1.46 4.76 -0.46 -4.72 118.16 113.69 2kjp n LYS 45 Ca 0.00 -1.45 -0.35 0.00 -2.87 0.00 0.00 58.31 53.65 2kjp n LYS 45 Cb 0.34 -2.53 -0.13 0.00 -1.84 0.00 0.00 35.03 30.87 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kjp s LYS 46 N 4.15 3.56 0.00 1.97 1.02 -1.26 -4.81 119.74 124.37 2kjp s LYS 46 Ca 0.41 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2kjp s LYS 46 Cb 0.10 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 2kjp s LYS 46 CO 0.03 0.02 0.00 0.00 -0.92 0.00 0.00 175.35 174.48 2kjp n ALA 47 N 4.18 0.00 0.00 5.17 0.00 -1.25 -4.42 120.51 124.19 2kjp n ALA 47 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kjp n ALA 47 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2kjp n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kjp n GLY 48 N 0.00 2.36 3.22 0.00 0.00 -1.26 -4.99 105.19 104.52 2kjp n GLY 48 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 2kjp n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kjp n ASP 49 N 2.30 -4.20 -4.01 1.61 2.03 -1.26 -4.82 116.55 108.21 2kjp n ASP 49 Ca 0.00 -0.87 -0.11 0.00 0.52 0.00 0.00 54.79 54.33 2kjp n ASP 49 Cb 0.00 -1.01 -0.11 0.00 -0.72 0.00 0.00 41.12 39.28 2kjp n ASP 49 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kjp s LYS 50 N -5.08 0.40 0.05 -0.67 1.02 -1.26 -3.30 119.74 110.89 2kjp s LYS 50 Ca 0.68 -0.66 -0.20 0.00 0.02 0.00 0.00 55.97 55.80 2kjp s LYS 50 Cb -0.12 -0.05 0.04 0.00 -0.52 0.00 0.00 37.83 37.18 2kjp s LYS 50 CO 0.57 -0.01 0.47 0.54 -0.92 0.00 0.00 175.35 176.00 2kjp s VAL 51 N -1.41 0.04 -0.12 3.17 0.11 -1.26 -5.00 120.40 115.94 2kjp s VAL 51 Ca -0.13 -0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 58.46 2kjp s VAL 51 Cb -0.10 -0.98 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 2kjp s VAL 51 CO -0.00 -0.19 0.25 -0.89 -3.33 0.00 0.00 175.10 170.93 2kjp s THR 52 N -2.55 5.33 -0.20 5.04 2.01 -1.26 -4.58 115.64 119.43 2kjp s THR 52 Ca -0.05 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 2kjp s THR 52 Cb -0.01 -3.55 0.06 0.00 0.01 0.00 0.00 72.50 69.01 2kjp s THR 52 CO -0.03 0.52 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.19 2kjp s LEU 53 N -0.39 1.71 -0.07 4.42 1.98 -1.25 -3.36 118.68 121.70 2kjp s LEU 53 Ca 0.16 -0.88 -0.16 0.00 -2.89 0.00 0.00 54.13 50.36 2kjp s LEU 53 Cb -0.13 -0.85 -0.05 0.00 0.66 0.00 0.00 46.19 45.82 2kjp s LEU 53 CO 0.05 -0.25 0.43 -0.54 -1.89 0.00 0.00 176.35 174.14 2kjp s LYS 54 N 1.66 4.16 0.22 1.98 1.02 -1.05 -4.71 119.74 123.03 2kjp s LYS 54 Ca -0.02 0.39 0.10 0.00 0.02 0.00 0.00 55.97 56.46 2kjp s LYS 54 Cb -0.17 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2kjp s LYS 54 CO -0.07 0.39 -0.19 0.42 -0.92 0.00 0.00 175.35 174.98 2kjp s ILE 55 N -0.11 2.12 -0.12 2.17 -1.09 -1.26 -3.34 121.20 119.57 2kjp s ILE 55 Ca 0.24 -2.20 0.01 0.00 -2.23 0.00 0.00 60.65 56.47 2kjp s ILE 55 Cb -0.16 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 2kjp s ILE 55 CO 0.11 -0.40 -0.18 -0.70 -1.23 0.00 0.00 174.94 172.54 2kjp s GLU 56 N -3.28 3.23 -0.09 2.79 2.56 -0.91 -3.69 118.70 119.31 2kjp s GLU 56 Ca 0.24 -0.77 -0.03 0.00 0.00 0.00 0.00 54.97 54.40 2kjp s GLU 56 Cb -0.04 -2.51 0.04 0.00 2.00 0.00 0.00 34.13 33.62 2kjp s GLU 56 CO 0.10 0.16 0.07 1.03 -0.56 0.00 0.00 175.26 176.06 2kjp s ARG 57 N 0.43 0.01 -1.46 4.30 0.52 0.64 -4.38 118.95 119.02 2kjp s ARG 57 Ca -0.13 0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.26 2kjp s ARG 57 Cb -0.17 -1.05 0.01 0.00 0.52 0.00 0.00 34.95 34.26 2kjp s ARG 57 CO 0.06 -0.46 0.30 -1.91 0.02 0.00 0.00 175.30 173.30 2kjp n GLU 58 N 5.28 -2.54 -2.55 3.54 2.13 -1.26 0.09 120.64 125.33 2kjp n GLU 58 Ca -0.05 0.30 -0.19 0.00 0.66 0.00 0.00 57.16 57.89 2kjp n GLU 58 Cb 0.50 -4.25 0.01 0.00 0.27 0.00 0.00 31.44 27.96 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kjp n GLU 59 N -4.46 -2.45 -4.15 5.31 -0.58 -1.26 -5.01 120.64 108.04 2kjp n GLU 59 Ca -0.30 0.85 -0.16 0.00 -0.42 0.00 0.00 57.16 57.12 2kjp n GLU 59 Cb 0.68 -5.39 -0.12 0.00 -0.57 0.00 0.00 31.44 26.05 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2kjp s LYS 60 N -5.13 0.77 0.02 3.49 -0.14 0.11 -5.16 119.74 113.70 2kjp s LYS 60 Ca 0.09 -0.96 0.09 0.00 -1.36 0.00 0.00 55.97 53.83 2kjp s LYS 60 Cb -0.04 -0.65 -0.03 0.00 -1.68 0.00 0.00 37.83 35.44 2kjp s LYS 60 CO 0.12 0.13 -0.26 -1.21 -0.76 0.00 0.00 175.35 173.37 2kjp s GLU 61 N -1.96 1.92 0.11 1.68 8.01 -1.26 -0.26 118.70 126.93 2kjp s GLU 61 Ca -0.02 -1.04 0.07 0.00 0.01 0.00 0.00 54.97 53.98 2kjp s GLU 61 Cb -0.08 -2.01 -0.03 0.00 -4.31 0.00 0.00 34.13 27.69 2kjp s GLU 61 CO 0.01 0.53 -0.17 0.15 0.01 0.00 0.00 175.26 175.79 2kjp s LYS 62 N -1.05 1.03 -0.13 1.61 1.02 -1.24 -5.04 119.74 115.95 2kjp s LYS 62 Ca 0.11 -1.16 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 2kjp s LYS 62 Cb -0.10 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2kjp s LYS 62 CO 0.01 0.24 -0.09 0.50 -0.92 0.00 0.00 175.35 175.09 2kjp s ARG 63 N -2.17 1.68 -0.01 1.68 3.52 -1.26 -4.16 118.95 118.23 2kjp s ARG 63 Ca 0.06 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2kjp s ARG 63 Cb -0.08 -1.74 0.01 0.00 -1.56 0.00 0.00 34.95 31.59 2kjp s ARG 63 CO 0.04 -0.28 0.01 0.08 -0.81 0.00 0.00 175.30 174.34 2kjp s VAL 64 N 1.65 0.04 -0.31 7.11 1.01 -1.26 -5.13 120.40 123.51 2kjp s VAL 64 Ca 0.05 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 2kjp s VAL 64 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2kjp s VAL 64 CO -0.09 0.06 0.51 -0.89 0.00 0.00 0.00 175.10 174.70 2kjp s THR 65 N 0.52 5.04 0.10 3.92 2.01 -1.26 -4.66 115.64 121.31 2kjp s THR 65 Ca -0.05 0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.55 2kjp s THR 65 Cb -0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2kjp s THR 65 CO -0.01 -0.09 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.97 2kjp s LEU 66 N 2.37 2.44 0.17 4.42 1.43 -1.26 -5.15 118.68 123.09 2kjp s LEU 66 Ca 0.20 -0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 2kjp s LEU 66 Cb -0.15 -0.26 -0.07 0.00 0.03 0.00 0.00 46.19 45.73 2kjp s LEU 66 CO 0.12 -0.31 0.55 0.28 0.23 0.00 0.00 176.35 177.22 2kjp s THR 67 N -2.76 4.88 0.94 5.49 -1.32 -1.26 -4.23 115.64 117.38 2kjp s THR 67 Ca 0.08 0.73 -0.11 0.00 -1.21 0.00 0.00 61.69 61.18 2kjp s THR 67 Cb -0.01 -3.70 0.16 0.00 -1.51 0.00 0.00 72.50 67.44 2kjp s THR 67 CO -0.01 0.16 1.10 -0.76 -2.21 0.00 0.00 174.62 172.91 2kjp s LEU 68 N -2.18 2.37 0.03 9.08 1.02 -1.21 -4.96 118.68 122.84 2kjp s LEU 68 Ca 0.40 1.88 -0.08 0.00 0.02 0.00 0.00 54.13 56.35 2kjp s LEU 68 Cb -0.14 -4.22 -0.00 0.00 0.02 0.00 0.00 46.19 41.85 2kjp s LEU 68 CO 0.20 -3.08 0.15 -0.54 0.02 0.00 0.00 176.35 173.09 2kjp s LYS 69 N -4.70 0.63 0.04 1.70 -0.14 -1.26 -3.94 119.74 112.06 2kjp s LYS 69 Ca 0.66 -0.65 0.06 0.00 -1.36 0.00 0.00 55.97 54.67 2kjp s LYS 69 Cb -0.21 0.26 -0.02 0.00 -1.68 0.00 0.00 37.83 36.17 2kjp s LYS 69 CO 0.59 -0.17 -0.16 1.14 -0.76 0.00 0.00 175.35 175.99 2kjp s GLN 70 N -2.44 1.09 0.27 1.68 -2.07 -1.26 -4.67 119.66 112.25 2kjp s GLN 70 Ca -0.06 -0.78 -0.26 0.00 -1.82 0.00 0.00 55.36 52.44 2kjp s GLN 70 Cb -0.02 -1.12 -0.16 0.00 -1.09 0.00 0.00 33.01 30.61 2kjp s GLN 70 CO -0.03 0.28 0.42 1.19 -1.32 0.00 0.00 175.29 175.83 2kjp n PHE 71 N 1.97 -0.88 0.00 9.60 3.72 -1.26 -4.95 117.46 125.66 2kjp n PHE 71 Ca -0.17 0.85 0.00 0.00 -0.05 0.00 0.00 57.45 58.07 2kjp n PHE 71 Cb 0.54 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.16 2kjp n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kjp n PRO 72 N 1.07 0.00 0.00 -1.08 -0.04 -1.26 -3.85 135.00 129.84 2kjp n PRO 72 Ca 0.15 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2kjp n PRO 72 Cb 0.30 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2kjp n PRO 72 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kjp n ASP 73 N -1.55 0.00 -3.16 3.54 5.75 -1.26 -3.70 116.55 116.17 2kjp n ASP 73 Ca 0.00 -1.19 -0.21 0.00 -0.01 0.00 0.00 54.79 53.38 2kjp n ASP 73 Cb 0.00 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 2kjp n ASP 73 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2kjp n GLU 74 N -0.50 0.79 0.00 0.11 2.13 -1.25 -4.94 120.64 116.98 2kjp n GLU 74 Ca 0.00 -3.17 0.13 0.00 0.66 0.00 0.00 57.16 54.78 2kjp n GLU 74 Cb 0.00 -1.36 0.59 0.00 0.27 0.00 0.00 31.44 30.95 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2kjp n PRO 75 N 1.08 0.12 0.27 5.31 -0.04 -1.24 -3.14 135.00 137.36 2kjp n PRO 75 Ca 0.21 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 2kjp n PRO 75 Cb 0.57 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.27 2kjp n PRO 75 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kjp h ASP 76 N 0.00 0.00 -5.12 3.54 3.58 -1.92 -3.44 116.42 113.06 2kjp h ASP 76 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2kjp h ASP 76 Cb 0.39 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 41.28 2kjp h ASP 76 CO 0.00 0.10 -0.45 -0.60 -2.88 0.00 0.00 179.24 175.41 2kjp s ARG 77 N -3.99 0.71 0.04 0.28 3.52 -1.19 -5.18 118.95 113.14 2kjp s ARG 77 Ca -0.02 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 2kjp s ARG 77 Cb 0.12 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.76 2kjp s ARG 77 CO 0.56 -0.20 -0.04 0.00 -0.81 0.00 0.00 175.30 174.81 2kjp s ALA 78 N -3.14 0.34 0.34 6.12 0.00 -1.26 -4.32 121.76 119.84 2kjp s ALA 78 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2kjp s ALA 78 Cb 0.02 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2kjp s ALA 78 CO -0.07 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2kjp n GLY 79 N 1.18 -4.02 3.76 0.00 0.00 -1.26 -4.80 105.19 100.04 2kjp n GLY 79 Ca -0.21 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2kjp n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kjp s ILE 80 N -3.01 2.50 0.34 -0.61 1.10 -1.26 -5.02 121.20 115.24 2kjp s ILE 80 Ca 0.00 0.37 -0.16 0.00 -0.51 0.00 0.00 60.65 60.35 2kjp s ILE 80 Cb 0.00 -3.19 0.04 0.00 0.15 0.00 0.00 42.46 39.46 2kjp s ILE 80 CO 0.00 -0.01 0.73 -0.83 -2.11 0.00 0.00 174.94 172.72 2kjp s GLY 81 N -1.14 0.32 0.43 1.50 0.00 -1.26 -5.03 107.32 102.13 2kjp s GLY 81 Ca 0.69 -0.68 0.09 0.00 0.00 0.00 0.00 44.72 44.82 2kjp s GLY 81 CO 0.42 -0.31 2.06 -0.24 0.00 0.00 0.00 173.10 175.03 2kjp h VAL 82 N 2.02 1.09 -1.85 1.40 3.04 -2.03 -3.48 116.25 116.45 2kjp h VAL 82 Ca -0.28 -0.23 0.14 0.00 -1.01 0.00 0.00 66.70 65.32 2kjp h VAL 82 Cb 1.25 0.71 -0.03 0.00 -2.01 0.00 0.00 31.29 31.20 2kjp h VAL 82 CO 0.35 0.10 -0.18 -0.24 -1.01 0.00 0.00 177.57 176.59 2kjp n SER 83 N -4.46 -5.17 -4.77 3.17 2.88 -1.26 -4.66 113.62 99.35 2kjp n SER 83 Ca 0.01 0.54 -0.39 0.00 -1.33 0.00 0.00 58.87 57.70 2kjp n SER 83 Cb 0.10 -1.60 -0.02 0.00 -0.75 0.00 0.00 64.21 61.94 2kjp n SER 83 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kjp s LEU 84 N 0.00 4.30 0.32 2.46 1.43 -1.26 -4.93 118.68 121.00 2kjp s LEU 84 Ca 0.00 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.59 2kjp s LEU 84 Cb 0.00 -3.87 0.53 0.00 0.03 0.00 0.00 46.19 42.88 2kjp s LEU 84 CO 0.00 -0.60 1.82 -0.33 0.23 0.00 0.00 176.35 177.48 2kjp h GLU 85 N 2.97 0.53 -3.16 1.70 5.08 -2.03 -3.46 114.58 116.20 2kjp h GLU 85 Ca -0.49 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 57.67 2kjp h GLU 85 Cb 1.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kjp h GLU 85 CO 0.64 0.61 0.21 -3.38 -1.00 0.00 0.00 179.01 176.09 2kjp s HIS 86 N -4.83 0.29 0.13 4.33 -3.43 -1.26 -5.19 115.29 105.32 2kjp s HIS 86 Ca -0.07 -0.92 -0.18 0.00 -0.80 0.00 0.00 55.06 53.08 2kjp s HIS 86 Cb 0.15 0.72 0.04 0.00 -1.43 0.00 0.00 32.58 32.06 2kjp s HIS 86 CO 0.77 -1.55 0.45 -3.38 -2.00 0.00 0.00 174.74 169.04 2kjp s HIS 87 N -2.25 -0.30 0.22 0.38 -3.43 -1.26 -5.15 115.29 103.51 2kjp s HIS 87 Ca 0.18 0.03 -0.30 0.00 -0.80 0.00 0.00 55.06 54.17 2kjp s HIS 87 Cb -0.04 0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 31.35 2kjp s HIS 87 CO 0.13 -0.73 1.32 -1.58 -2.00 0.00 0.00 174.74 171.88 2kjp s HIS 88 N -3.70 3.21 0.35 0.38 2.46 -1.26 -4.97 115.29 111.77 2kjp s HIS 88 Ca 0.02 1.23 -0.28 0.00 0.47 0.00 0.00 55.06 56.50 2kjp s HIS 88 Cb 0.01 -3.63 -0.10 0.00 -0.13 0.00 0.00 32.58 28.73 2kjp s HIS 88 CO -0.12 -1.94 1.34 -1.01 -2.47 0.00 0.00 174.74 170.55 2kjp s HIS 89 N -0.07 2.93 0.20 3.88 3.76 -1.26 -4.92 115.29 119.80 2kjp s HIS 89 Ca 0.56 1.37 -0.10 0.00 -0.15 0.00 0.00 55.06 56.73 2kjp s HIS 89 Cb -0.37 -3.75 0.13 0.00 1.11 0.00 0.00 32.58 29.70 2kjp s HIS 89 CO 0.40 -2.11 1.81 0.45 -0.85 0.00 0.00 174.74 174.44 2kjp h HIS 90 N 3.21 1.00 0.00 1.40 3.86 -2.08 -3.58 115.15 118.96 2kjp h HIS 90 Ca -0.49 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 2kjp h HIS 90 Cb 1.23 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.38 2kjp h HIS 90 CO 0.55 0.72 0.00 0.72 0.86 0.00 0.00 177.93 180.78