#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjp n GLY 2 N 0.00 3.78 1.17 4.83 0.00 -1.26 -1.28 105.19 112.43 2kjp n GLY 2 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2kjp n GLY 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kjp n ILE 3 N 0.00 0.82 -4.38 -0.61 -0.00 -1.26 -4.88 119.36 109.05 2kjp n ILE 3 Ca 0.00 -0.84 -0.21 0.00 -0.00 0.00 0.00 62.75 61.70 2kjp n ILE 3 Cb 0.00 0.46 -0.16 0.00 -0.00 0.00 0.00 39.64 39.95 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 2kjp s TYR 4 N -1.18 0.97 -0.41 4.28 2.02 -0.41 -4.55 117.35 118.07 2kjp s TYR 4 Ca 0.42 -0.26 -0.29 0.00 -0.37 0.00 0.00 57.07 56.58 2kjp s TYR 4 Cb 0.22 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2kjp s TYR 4 CO 0.29 -0.12 1.12 0.00 -1.57 0.00 0.00 175.55 175.27 2kjp s ALA 5 N 0.31 3.29 -0.11 3.71 0.00 -1.25 -0.93 121.76 126.78 2kjp s ALA 5 Ca -0.05 -0.30 0.17 0.00 0.00 0.00 0.00 51.96 51.77 2kjp s ALA 5 Cb -0.10 -3.81 -0.16 0.00 0.00 0.00 0.00 23.12 19.05 2kjp s ALA 5 CO 0.01 -1.95 0.75 0.43 0.00 0.00 0.00 175.76 175.00 2kjp n SER 6 N 7.47 0.79 -3.53 0.00 7.64 -1.26 0.17 113.62 124.89 2kjp n SER 6 Ca 0.12 0.35 -0.09 0.00 1.01 0.00 0.00 58.87 60.26 2kjp n SER 6 Cb 0.48 0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kjp s SER 7 N -5.76 -0.36 0.02 6.43 1.04 -1.26 -4.70 113.70 109.11 2kjp s SER 7 Ca -0.04 0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.43 2kjp s SER 7 Cb 0.09 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2kjp s SER 7 CO 0.82 -0.50 0.21 -0.69 0.98 0.00 0.00 173.24 174.05 2kjp s VAL 8 N -2.39 0.09 -0.00 5.02 1.01 -1.26 -4.98 120.40 117.88 2kjp s VAL 8 Ca 0.03 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 2kjp s VAL 8 Cb -0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2kjp s VAL 8 CO -0.05 -0.41 0.64 0.54 0.00 0.00 0.00 175.10 175.81 2kjp s VAL 9 N -2.01 4.90 0.10 2.92 0.11 -1.26 -5.07 120.40 120.09 2kjp s VAL 9 Ca -0.09 1.33 -0.02 0.00 -2.93 0.00 0.00 61.98 60.27 2kjp s VAL 9 Cb -0.04 -3.98 0.02 0.00 -1.53 0.00 0.00 36.38 30.86 2kjp s VAL 9 CO -0.01 0.39 0.06 -1.84 -3.33 0.00 0.00 175.10 170.36 2kjp n GLU 10 N 2.88 -1.42 -3.67 1.54 0.28 -1.26 -4.16 120.64 114.84 2kjp n GLU 10 Ca -0.05 -0.09 -0.27 0.00 -0.16 0.00 0.00 57.16 56.58 2kjp n GLU 10 Cb 0.51 -0.14 0.04 0.00 1.43 0.00 0.00 31.44 33.28 2kjp n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kjp n ASN 11 N -2.56 -5.34 -4.68 -1.84 5.15 -1.26 -4.98 115.26 99.76 2kjp n ASN 11 Ca 0.01 -0.62 -0.30 0.00 -0.60 0.00 0.00 54.58 53.07 2kjp n ASN 11 Cb 0.04 -4.25 -0.10 0.00 -0.53 0.00 0.00 39.78 34.94 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 -6.38 2.05 0.00 1.20 -1.94 -1.26 -4.94 119.30 108.03 2kjp s MET 12 Ca 0.58 -2.22 0.00 0.00 -1.71 0.00 0.00 55.69 52.34 2kjp s MET 12 Cb -0.28 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 34.96 2kjp s MET 12 CO 0.72 -0.17 0.47 -2.30 -0.01 0.00 0.00 175.02 173.72 2kjp n PRO 13 N -1.08 0.00 0.00 2.03 -0.02 -1.26 -4.42 135.00 130.24 2kjp n PRO 13 Ca -0.11 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kjp n PRO 13 Cb 0.67 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2kjp n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kjp n ALA 14 N -0.97 0.00 -1.65 3.55 0.00 -1.21 -4.14 120.51 116.09 2kjp n ALA 14 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2kjp n ALA 14 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 1.70 0.00 0.00 4.81 -1.26 -2.27 118.16 121.14 2kjp n LYS 15 Ca 0.00 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2kjp n LYS 15 Cb 0.00 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 32.87 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 0.98 0.00 2.95 3.14 0.00 -1.26 -4.71 105.19 106.28 2kjp n GLY 16 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2kjp n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 17 N 0.00 1.56 -0.05 1.61 2.20 -0.96 -4.86 119.74 119.23 2kjp s LYS 17 Ca 0.00 -1.22 0.04 0.00 -0.36 0.00 0.00 55.97 54.43 2kjp s LYS 17 Cb 0.00 -2.68 -0.02 0.00 -1.51 0.00 0.00 37.83 33.62 2kjp s LYS 17 CO 0.00 -0.71 -0.17 -1.50 -0.36 0.00 0.00 175.35 172.61 2kjp s ILE 18 N 1.29 2.85 -0.17 5.43 2.07 -1.24 -3.28 121.20 128.15 2kjp s ILE 18 Ca -0.01 -0.80 -0.05 0.00 -1.41 0.00 0.00 60.65 58.39 2kjp s ILE 18 Cb -0.19 -2.10 0.07 0.00 0.13 0.00 0.00 42.46 40.36 2kjp s ILE 18 CO -0.09 0.58 0.11 -1.61 -1.91 0.00 0.00 174.94 172.03 2kjp s GLU 19 N -0.62 0.08 -0.33 3.50 2.02 -1.26 -4.94 118.70 117.15 2kjp s GLU 19 Ca 0.09 -0.01 -0.08 0.00 0.02 0.00 0.00 54.97 54.99 2kjp s GLU 19 Cb -0.11 -1.67 0.19 0.00 0.10 0.00 0.00 34.13 32.64 2kjp s GLU 19 CO 0.01 -0.66 1.02 0.54 0.02 0.00 0.00 175.26 176.19 2kjp s VAL 20 N 2.18 -0.28 0.00 2.63 0.11 -1.26 -4.48 120.40 119.30 2kjp s VAL 20 Ca 0.03 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2kjp s VAL 20 Cb -0.16 0.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 2kjp s VAL 20 CO -0.09 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 2kjp n GLY 21 N 3.70 3.05 3.74 6.54 0.00 0.46 -5.00 105.19 117.69 2kjp n GLY 21 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.16 4.51 -0.09 1.61 1.01 -1.26 -4.76 116.67 116.53 2kjp s ASP 22 Ca 0.00 2.11 -0.03 0.00 0.71 0.00 0.00 52.55 55.34 2kjp s ASP 22 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2kjp s ASP 22 CO 0.00 -2.04 0.04 -0.54 0.21 0.00 0.00 175.17 172.85 2kjp s LYS 23 N -4.20 3.11 -0.33 8.23 1.02 -1.26 -3.96 119.74 122.36 2kjp s LYS 23 Ca 0.68 -0.33 -0.14 0.00 0.02 0.00 0.00 55.97 56.20 2kjp s LYS 23 Cb -0.23 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 2kjp s LYS 23 CO 0.46 0.72 0.33 0.96 -0.92 0.00 0.00 175.35 176.91 2kjp s ILE 24 N -0.94 5.20 0.06 2.17 -0.00 -1.26 -1.29 121.20 125.13 2kjp s ILE 24 Ca 0.14 0.10 -0.22 0.00 -0.00 0.00 0.00 60.65 60.67 2kjp s ILE 24 Cb -0.12 -3.76 -0.13 0.00 -0.00 0.00 0.00 42.46 38.45 2kjp s ILE 24 CO 0.03 -0.01 1.53 0.40 -0.00 0.00 0.00 174.94 176.90 2kjp h ILE 25 N 5.49 1.21 -2.56 8.37 2.04 -1.88 -3.47 117.51 126.70 2kjp h ILE 25 Ca -0.31 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 64.98 2kjp h ILE 25 Cb 1.15 1.42 -0.13 0.00 -0.74 0.00 0.00 36.82 38.53 2kjp h ILE 25 CO 0.66 0.19 0.39 -0.94 0.00 0.00 0.00 178.15 178.45 2kjp s SER 26 N -5.61 -0.40 0.00 1.72 1.04 -1.26 -4.85 113.70 104.33 2kjp s SER 26 Ca -0.14 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2kjp s SER 26 Cb 0.06 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2kjp s SER 26 CO 0.70 -0.81 0.00 0.00 0.98 0.00 0.00 173.24 174.11 2kjp n ALA 27 N -0.33 0.00 -2.59 5.32 0.00 -1.23 -2.44 120.51 119.25 2kjp n ALA 27 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2kjp n ALA 27 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 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 7.12 0.00 0.00 2.03 -1.20 -4.14 116.55 120.36 2kjp n ASP 28 Ca 0.00 -3.49 0.00 0.00 0.52 0.00 0.00 54.79 51.82 2kjp n ASP 28 Cb 0.00 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 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 0.75 0.63 3.44 0.27 0.00 -1.26 -4.94 105.19 104.08 2kjp n GLY 29 Ca 0.44 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 2kjp n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjp s LYS 30 N -0.43 3.20 -0.85 1.61 1.02 -1.26 -5.04 119.74 117.99 2kjp s LYS 30 Ca 0.00 -0.83 -0.21 0.00 0.02 0.00 0.00 55.97 54.95 2kjp s LYS 30 Cb 0.00 -3.67 0.09 0.00 -0.52 0.00 0.00 37.83 33.73 2kjp s LYS 30 CO 0.00 -0.52 1.13 -0.80 -0.92 0.00 0.00 175.35 174.24 2kjp s ASN 31 N 1.62 6.44 0.13 2.83 0.01 -1.26 -3.48 114.94 121.22 2kjp s ASN 31 Ca 0.04 -1.54 -0.30 0.00 -0.71 0.00 0.00 52.86 50.35 2kjp s ASN 31 Cb -0.18 -2.44 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 2kjp s ASN 31 CO 0.07 -1.29 1.11 -0.31 -1.51 0.00 0.00 177.10 175.17 2kjp s TYR 32 N 3.63 3.56 -0.24 2.20 2.02 -1.26 -4.96 117.35 122.30 2kjp s TYR 32 Ca 0.32 1.54 -0.16 0.00 -0.37 0.00 0.00 57.07 58.39 2kjp s TYR 32 Cb -0.08 -3.29 -0.12 0.00 -0.40 0.00 0.00 41.96 38.06 2kjp s TYR 32 CO -0.02 -0.71 -0.21 0.94 -1.57 0.00 0.00 175.55 173.98 2kjp n GLN 33 N 2.93 0.57 -2.91 -0.62 7.27 -1.26 -4.94 117.38 118.41 2kjp n GLN 33 Ca 0.05 0.35 -0.40 0.00 0.07 0.00 0.00 57.00 57.06 2kjp n GLN 33 Cb 0.47 -1.56 -0.05 0.00 2.41 0.00 0.00 30.24 31.51 2kjp n GLN 33 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2kjp s SER 34 N -7.00 7.32 0.22 1.69 1.04 -1.26 -4.97 113.70 110.74 2kjp s SER 34 Ca -0.34 1.58 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 2kjp s SER 34 Cb 0.10 -2.51 0.20 0.00 0.10 0.00 0.00 66.02 63.92 2kjp s SER 34 CO 0.49 0.02 1.90 0.00 0.98 0.00 0.00 173.24 176.63 2kjp h ALA 35 N 5.43 1.08 -1.00 5.32 0.00 -1.95 -2.38 119.26 125.76 2kjp h ALA 35 Ca -0.44 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.57 2kjp h ALA 35 Cb 1.21 -0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 2kjp h ALA 35 CO 0.70 0.46 0.62 1.49 0.00 0.00 0.00 179.25 182.53 2kjp h GLU 36 N 1.13 0.86 -0.14 0.00 4.81 -1.98 -0.02 114.58 119.25 2kjp h GLU 36 Ca 0.31 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 2kjp h GLU 36 Cb -0.11 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.07 2kjp h GLU 36 CO -0.07 0.57 -0.33 0.87 -0.73 0.00 0.00 179.01 179.32 2kjp h LYS 37 N 0.89 0.48 -0.01 1.92 1.79 -1.85 -2.10 116.57 117.69 2kjp h LYS 37 Ca 0.54 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2kjp h LYS 37 Cb 0.68 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2kjp h LYS 37 CO -0.32 0.93 0.01 1.25 -1.08 0.00 0.00 179.45 180.24 2kjp h LEU 38 N 0.09 0.01 -0.39 2.94 5.85 -0.92 0.27 115.31 123.16 2kjp h LEU 38 Ca 0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2kjp h LEU 38 Cb 0.93 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2kjp h LEU 38 CO 0.07 0.06 0.13 -0.29 -0.34 0.00 0.00 178.44 178.07 2kjp h ILE 39 N -0.04 1.21 -0.67 4.05 2.10 -1.13 -2.68 117.51 120.36 2kjp h ILE 39 Ca 0.00 -0.68 -0.04 0.00 1.08 0.00 0.00 64.86 65.23 2kjp h ILE 39 Cb 0.05 0.92 -0.03 0.00 -1.09 0.00 0.00 36.82 36.67 2kjp h ILE 39 CO -0.00 0.24 0.27 0.44 -1.08 0.00 0.00 178.15 178.02 2kjp h ASP 40 N 0.49 0.89 -0.40 2.19 3.32 -1.25 -2.03 116.42 119.62 2kjp h ASP 40 Ca 0.13 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.10 2kjp h ASP 40 Cb 0.24 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2kjp h ASP 40 CO -0.01 0.79 0.18 0.22 -1.72 0.00 0.00 179.24 178.70 2kjp h TYR 41 N 0.96 0.32 -0.61 4.55 3.20 -0.14 -1.76 116.97 123.49 2kjp h TYR 41 Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2kjp h TYR 41 Cb 0.17 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2kjp h TYR 41 CO 0.01 0.15 0.29 0.82 -1.64 0.00 0.00 178.16 177.79 2kjp h ILE 42 N 0.36 1.22 -2.45 1.81 1.08 -1.27 -3.46 117.51 114.81 2kjp h ILE 42 Ca 0.18 -0.62 -0.31 0.00 -0.39 0.00 0.00 64.86 63.71 2kjp h ILE 42 Cb 0.12 0.49 -0.07 0.00 -3.07 0.00 0.00 36.82 34.29 2kjp h ILE 42 CO -0.15 0.25 -0.34 -1.20 -0.69 0.00 0.00 178.15 176.02 2kjp n SER 43 N -4.50 -4.34 -0.11 1.72 7.64 -0.66 -0.34 113.62 113.02 2kjp n SER 43 Ca 0.04 0.25 -0.01 0.00 1.01 0.00 0.00 58.87 60.15 2kjp n SER 43 Cb 0.13 -3.80 -0.01 0.00 -1.01 0.00 0.00 64.21 59.53 2kjp n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kjp n SER 44 N -1.33 -5.81 -3.27 6.43 7.64 -1.26 -4.82 113.62 111.19 2kjp n SER 44 Ca -0.17 0.04 -0.24 0.00 1.01 0.00 0.00 58.87 59.51 2kjp n SER 44 Cb 0.57 -3.44 -0.04 0.00 -1.01 0.00 0.00 64.21 60.29 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kjp n LYS 45 N 0.55 0.77 -2.91 1.43 5.02 0.53 -4.55 118.16 119.00 2kjp n LYS 45 Ca -0.01 -1.09 -0.19 0.00 -2.02 0.00 0.00 58.31 54.99 2kjp n LYS 45 Cb 0.49 -2.39 0.04 0.00 -0.02 0.00 0.00 35.03 33.15 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kjp s LYS 46 N 5.09 2.45 -0.12 1.97 1.02 -1.26 -4.52 119.74 124.38 2kjp s LYS 46 Ca 0.36 -1.29 -0.08 0.00 0.02 0.00 0.00 55.97 54.97 2kjp s LYS 46 Cb 0.09 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.80 2kjp s LYS 46 CO 0.10 -0.70 0.17 0.00 -0.92 0.00 0.00 175.35 174.00 2kjp n ALA 47 N -2.19 -3.13 0.00 5.17 0.00 -1.24 -4.54 120.51 114.59 2kjp n ALA 47 Ca 0.12 1.80 0.00 0.00 0.00 0.00 0.00 53.44 55.36 2kjp n ALA 47 Cb 0.60 -3.71 0.00 0.00 0.00 0.00 0.00 19.45 16.35 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 1.78 2.80 3.70 0.00 0.00 -1.26 -5.01 105.19 107.20 2kjp n GLY 48 Ca -0.28 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2kjp n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 49 N 0.00 6.97 0.12 1.61 1.01 -1.26 -4.88 116.67 120.24 2kjp s ASP 49 Ca 0.00 2.04 -0.07 0.00 0.71 0.00 0.00 52.55 55.23 2kjp s ASP 49 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 2kjp s ASP 49 CO 0.00 -0.60 0.39 -0.75 0.21 0.00 0.00 175.17 174.42 2kjp s LYS 50 N 1.75 3.67 0.07 8.23 2.20 -1.26 -3.52 119.74 130.88 2kjp s LYS 50 Ca 0.60 0.01 -0.14 0.00 -0.36 0.00 0.00 55.97 56.09 2kjp s LYS 50 Cb -0.30 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2kjp s LYS 50 CO 0.27 0.49 0.32 0.08 -0.36 0.00 0.00 175.35 176.15 2kjp s VAL 51 N -1.58 0.09 -0.23 4.02 1.01 -1.26 -5.00 120.40 117.45 2kjp s VAL 51 Ca 0.38 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2kjp s VAL 51 Cb -0.13 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2kjp s VAL 51 CO 0.22 -0.40 0.21 -0.89 0.00 0.00 0.00 175.10 174.23 2kjp s THR 52 N -3.15 5.33 -0.22 3.92 2.01 -1.26 -4.55 115.64 117.71 2kjp s THR 52 Ca -0.01 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 2kjp s THR 52 Cb 0.01 -3.55 0.06 0.00 0.01 0.00 0.00 72.50 69.03 2kjp s THR 52 CO -0.07 0.33 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.40 2kjp s LEU 53 N 1.09 2.17 0.15 4.42 1.43 -1.26 -3.27 118.68 123.40 2kjp s LEU 53 Ca 0.10 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 51.97 2kjp s LEU 53 Cb -0.14 -1.01 -0.07 0.00 0.03 0.00 0.00 46.19 45.00 2kjp s LEU 53 CO 0.05 -0.25 0.59 -0.54 0.23 0.00 0.00 176.35 176.42 2kjp s LYS 54 N 1.53 4.07 0.16 1.70 1.02 -1.02 -4.82 119.74 122.37 2kjp s LYS 54 Ca -0.04 0.61 0.11 0.00 0.02 0.00 0.00 55.97 56.66 2kjp s LYS 54 Cb -0.18 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2kjp s LYS 54 CO -0.07 0.49 -0.24 0.42 -0.92 0.00 0.00 175.35 175.03 2kjp s ILE 55 N -1.41 2.38 -0.16 2.17 -1.09 -1.26 -3.38 121.20 118.45 2kjp s ILE 55 Ca 0.37 -1.84 -0.01 0.00 -2.23 0.00 0.00 60.65 56.94 2kjp s ILE 55 Cb -0.16 -2.10 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 2kjp s ILE 55 CO 0.19 0.00 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.10 2kjp s GLU 56 N -2.33 3.37 -0.07 2.79 2.12 -0.41 -3.26 118.70 120.91 2kjp s GLU 56 Ca 0.17 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.81 2kjp s GLU 56 Cb -0.09 -2.74 0.04 0.00 0.26 0.00 0.00 34.13 31.60 2kjp s GLU 56 CO 0.08 0.07 0.12 1.03 -0.54 0.00 0.00 175.26 176.03 2kjp s ARG 57 N 0.72 0.01 -1.48 4.30 0.52 -1.11 -4.24 118.95 117.68 2kjp s ARG 57 Ca -0.05 0.46 -0.07 0.00 -0.52 0.00 0.00 55.73 55.55 2kjp s ARG 57 Cb -0.15 -0.31 0.05 0.00 0.52 0.00 0.00 34.95 35.06 2kjp s ARG 57 CO 0.02 -0.28 0.65 0.39 0.02 0.00 0.00 175.30 176.11 2kjp n GLU 58 N 5.03 -3.99 -2.68 3.54 1.02 -1.26 -0.81 120.64 121.49 2kjp n GLU 58 Ca -0.10 0.47 -0.19 0.00 -0.02 0.00 0.00 57.16 57.32 2kjp n GLU 58 Cb 0.50 -4.95 0.01 0.00 -0.02 0.00 0.00 31.44 26.99 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kjp n GLU 59 N -4.43 -3.14 -4.61 3.49 1.02 -1.26 -5.01 120.64 106.70 2kjp n GLU 59 Ca -0.16 0.85 -0.28 0.00 -0.02 0.00 0.00 57.16 57.55 2kjp n GLU 59 Cb 0.61 -5.44 -0.10 0.00 -0.02 0.00 0.00 31.44 26.49 2kjp n GLU 59 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2kjp s LYS 60 N -5.29 1.96 0.00 3.49 -2.85 0.01 -5.17 119.74 111.90 2kjp s LYS 60 Ca 0.15 -2.16 0.01 0.00 -1.00 0.00 0.00 55.97 52.97 2kjp s LYS 60 Cb -0.07 -1.32 -0.01 0.00 -2.06 0.00 0.00 37.83 34.38 2kjp s LYS 60 CO 0.19 -0.22 -0.02 -1.83 0.10 0.00 0.00 175.35 173.57 2kjp s GLU 61 N -3.80 0.17 0.12 1.78 1.03 -1.26 -2.74 118.70 114.02 2kjp s GLU 61 Ca 0.25 -0.17 0.11 0.00 0.03 0.00 0.00 54.97 55.19 2kjp s GLU 61 Cb 0.06 -0.10 -0.04 0.00 -0.80 0.00 0.00 34.13 33.26 2kjp s GLU 61 CO 0.13 0.02 -0.26 0.15 -1.33 0.00 0.00 175.26 173.97 2kjp s LYS 62 N -0.32 1.47 -0.15 -4.83 -0.14 -1.20 -5.03 119.74 109.54 2kjp s LYS 62 Ca -0.02 -1.32 -0.00 0.00 -1.36 0.00 0.00 55.97 53.27 2kjp s LYS 62 Cb -0.02 -1.93 0.03 0.00 -1.68 0.00 0.00 37.83 34.22 2kjp s LYS 62 CO -0.00 0.46 -0.09 0.50 -0.76 0.00 0.00 175.35 175.45 2kjp s ARG 63 N -2.03 1.82 -0.15 1.68 3.52 -1.26 -4.22 118.95 118.31 2kjp s ARG 63 Ca 0.14 -0.49 -0.14 0.00 -0.13 0.00 0.00 55.73 55.12 2kjp s ARG 63 Cb -0.10 -1.95 0.04 0.00 -1.56 0.00 0.00 34.95 31.37 2kjp s ARG 63 CO 0.06 -0.32 0.40 0.54 -0.81 0.00 0.00 175.30 175.18 2kjp s VAL 64 N 1.58 -0.00 -0.31 7.11 0.11 -1.26 -5.14 120.40 122.49 2kjp s VAL 64 Ca 0.03 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.95 2kjp s VAL 64 Cb -0.14 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2kjp s VAL 64 CO -0.09 0.00 0.27 0.42 -3.33 0.00 0.00 175.10 172.37 2kjp s THR 65 N 0.23 5.25 0.10 5.04 -4.23 -1.26 -4.66 115.64 116.11 2kjp s THR 65 Ca -0.00 0.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 2kjp s THR 65 Cb -0.03 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2kjp s THR 65 CO 0.00 0.07 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.31 2kjp s LEU 66 N 1.85 2.45 -0.03 4.79 1.43 -1.26 -5.15 118.68 122.76 2kjp s LEU 66 Ca 0.09 -0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 52.21 2kjp s LEU 66 Cb -0.17 -0.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 2kjp s LEU 66 CO 0.11 -0.36 0.27 -0.89 0.23 0.00 0.00 176.35 175.71 2kjp s THR 67 N -2.95 5.29 1.08 5.49 2.01 -1.26 -4.13 115.64 121.16 2kjp s THR 67 Ca 0.08 0.34 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 2kjp s THR 67 Cb 0.01 -3.55 0.24 0.00 0.01 0.00 0.00 72.50 69.20 2kjp s THR 67 CO -0.02 0.48 1.06 -0.76 -0.69 0.00 0.00 174.62 174.69 2kjp s LEU 68 N -1.41 1.44 0.05 4.42 1.43 -1.23 -4.91 118.68 118.47 2kjp s LEU 68 Ca 0.23 1.65 -0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2kjp s LEU 68 Cb -0.14 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 2kjp s LEU 68 CO 0.12 -3.79 0.02 -0.54 0.23 0.00 0.00 176.35 172.39 2kjp s LYS 69 N -4.57 0.64 0.02 1.70 -0.14 -1.26 -3.60 119.74 112.52 2kjp s LYS 69 Ca 0.67 -1.11 0.06 0.00 -1.36 0.00 0.00 55.97 54.23 2kjp s LYS 69 Cb -0.24 0.23 -0.03 0.00 -1.68 0.00 0.00 37.83 36.11 2kjp s LYS 69 CO 0.62 -0.14 -0.16 1.14 -0.76 0.00 0.00 175.35 176.06 2kjp s GLN 70 N -3.69 2.24 0.41 1.68 -2.07 -1.26 -4.33 119.66 112.65 2kjp s GLN 70 Ca 0.05 -0.88 -0.22 0.00 -1.82 0.00 0.00 55.36 52.49 2kjp s GLN 70 Cb 0.06 -2.27 -0.14 0.00 -1.09 0.00 0.00 33.01 29.56 2kjp s GLN 70 CO -0.09 0.57 0.32 1.19 -1.32 0.00 0.00 175.29 175.95 2kjp n PHE 71 N 1.72 -1.30 0.00 9.60 3.01 -1.26 -4.94 117.46 124.30 2kjp n PHE 71 Ca -0.16 0.62 0.00 0.00 1.01 0.00 0.00 57.45 58.92 2kjp n PHE 71 Cb 0.52 -1.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.11 2kjp n PHE 71 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2kjp n PRO 72 N 0.95 0.00 0.00 -1.08 -0.04 -1.26 -3.67 135.00 129.89 2kjp n PRO 72 Ca 0.12 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2kjp n PRO 72 Cb 0.40 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.29 0.21 -3.08 3.54 5.75 -1.26 -3.61 116.55 116.81 2kjp n ASP 73 Ca 0.00 -1.14 -0.18 0.00 -0.01 0.00 0.00 54.79 53.46 2kjp n ASP 73 Cb 0.00 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 39.96 2kjp n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kjp n GLU 74 N -0.23 0.85 0.03 0.11 -0.58 -1.24 -4.95 120.64 114.63 2kjp n GLU 74 Ca 0.00 -2.94 0.13 0.00 -0.42 0.00 0.00 57.16 53.93 2kjp n GLU 74 Cb 0.05 -1.40 0.52 0.00 -0.57 0.00 0.00 31.44 30.05 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2kjp n PRO 75 N 0.92 0.07 0.00 3.49 -0.04 -1.24 -2.87 135.00 135.33 2kjp n PRO 75 Ca 0.19 0.10 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 2kjp n PRO 75 Cb 0.61 -1.59 0.57 0.00 -0.04 0.00 0.00 33.50 33.06 2kjp n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kjp n ASP 76 N -1.71 0.19 -4.05 3.54 8.00 -1.26 -4.84 116.55 116.42 2kjp n ASP 76 Ca 0.06 0.04 -0.11 0.00 0.71 0.00 0.00 54.79 55.49 2kjp n ASP 76 Cb 0.33 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kjp s ARG 77 N -2.82 0.49 0.04 -1.24 3.52 -1.14 -5.14 118.95 112.65 2kjp s ARG 77 Ca 0.19 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 2kjp s ARG 77 Cb 0.19 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.48 2kjp s ARG 77 CO 0.54 -0.01 -0.05 0.00 -0.81 0.00 0.00 175.30 174.97 2kjp s ALA 78 N -1.95 0.39 0.40 6.12 0.00 -1.26 -4.36 121.76 121.10 2kjp s ALA 78 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2kjp s ALA 78 Cb -0.06 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2kjp s ALA 78 CO -0.02 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2kjp n GLY 79 N 1.30 -2.21 3.68 0.00 0.00 -1.26 -4.67 105.19 102.03 2kjp n GLY 79 Ca -0.22 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2kjp n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kjp s ILE 80 N -2.67 4.84 0.56 -0.61 1.01 -1.26 -4.83 121.20 118.24 2kjp s ILE 80 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.47 2kjp s ILE 80 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2kjp s ILE 80 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2kjp n GLY 81 N 3.27 -3.91 0.00 6.18 0.00 -1.26 -4.82 105.19 104.65 2kjp n GLY 81 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2kjp n GLY 81 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kjp n VAL 82 N -2.77 0.00 -3.64 1.61 0.31 -1.26 -4.94 118.33 107.64 2kjp n VAL 82 Ca -0.01 1.17 -0.09 0.00 -0.01 0.00 0.00 64.34 65.41 2kjp n VAL 82 Cb 0.48 -2.13 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 2kjp n VAL 82 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kjp s SER 83 N -2.12 -0.47 0.17 4.52 0.15 -1.26 -4.84 113.70 109.85 2kjp s SER 83 Ca 0.00 0.89 -0.12 0.00 0.70 0.00 0.00 55.95 57.42 2kjp s SER 83 Cb 0.00 0.94 0.06 0.00 -1.71 0.00 0.00 66.02 65.31 2kjp s SER 83 CO 0.00 -0.15 1.72 -0.07 1.20 0.00 0.00 173.24 175.93 2kjp h LEU 84 N 4.45 0.80 -8.73 3.45 3.38 -1.96 -3.40 115.31 113.30 2kjp h LEU 84 Ca -0.28 -0.18 -0.61 0.00 0.09 0.00 0.00 57.88 56.90 2kjp h LEU 84 Cb 1.18 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 2kjp h LEU 84 CO 0.11 0.76 0.42 -1.61 0.09 0.00 0.00 178.44 178.22 2kjp s GLU 85 N -5.52 3.61 -0.97 1.13 2.02 -1.26 -4.95 118.70 112.77 2kjp s GLU 85 Ca -0.13 0.17 -0.15 0.00 0.02 0.00 0.00 54.97 54.88 2kjp s GLU 85 Cb 0.12 -3.87 -0.09 0.00 0.10 0.00 0.00 34.13 30.39 2kjp s GLU 85 CO 0.79 -1.01 2.09 1.58 0.02 0.00 0.00 175.26 178.74 2kjp n HIS 86 N 6.67 1.98 -3.27 1.61 -0.00 -1.26 -4.59 115.22 116.35 2kjp n HIS 86 Ca 0.04 -2.10 -0.07 0.00 -0.00 0.00 0.00 57.72 55.58 2kjp n HIS 86 Cb 0.48 -1.86 -0.04 0.00 -0.00 0.00 0.00 29.99 28.57 2kjp n HIS 86 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kjp s HIS 87 N 4.06 -1.08 0.00 1.57 3.76 -1.26 -4.94 115.29 117.40 2kjp s HIS 87 Ca 0.51 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 2kjp s HIS 87 Cb 0.13 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.81 2kjp s HIS 87 CO 0.03 -1.09 0.00 -2.39 -0.85 0.00 0.00 174.74 170.44 2kjp n HIS 88 N 4.30 0.00 -2.73 1.40 1.44 -1.26 -5.16 115.22 113.21 2kjp n HIS 88 Ca 0.11 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.86 2kjp n HIS 88 Cb 0.52 0.07 -0.01 0.00 0.12 0.00 0.00 29.99 30.69 2kjp n HIS 88 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kjp n HIS 89 N 0.00 -2.09 -2.04 -1.40 8.25 -1.26 -4.63 115.22 112.05 2kjp n HIS 89 Ca 0.00 0.35 -0.41 0.00 -0.26 0.00 0.00 57.72 57.40 2kjp n HIS 89 Cb 0.22 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 30.82 2kjp n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kjp s HIS 90 N -0.51 2.99 0.00 4.41 3.76 -1.26 -5.22 115.29 119.46 2kjp s HIS 90 Ca 0.00 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 2kjp s HIS 90 Cb 0.00 -3.77 0.00 0.00 1.11 0.00 0.00 32.58 29.92 2kjp s HIS 90 CO 0.00 -2.28 0.00 0.72 -0.85 0.00 0.00 174.74 172.33