#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n s VAL 2 N 0.00 0.17 -0.17 2.03 0.11 -1.26 -5.12 120.40 116.16 1j5n s VAL 2 Ca 0.00 0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1j5n s VAL 2 Cb 0.00 -0.37 0.08 0.00 -1.53 0.00 0.00 36.38 34.56 1j5n s VAL 2 CO 0.00 0.23 0.30 -0.89 -3.33 0.00 0.00 175.10 171.40 1j5n s THR 3 N 2.05 -0.46 0.96 5.04 2.01 -1.26 -5.16 115.64 118.82 1j5n s THR 3 Ca 0.05 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 1j5n s THR 3 Cb -0.12 -0.57 0.16 0.00 0.01 0.00 0.00 72.50 71.99 1j5n s THR 3 CO -0.04 0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 172.84 1j5n s PRO 4 N 2.45 0.76 0.00 4.92 0.04 -1.26 -4.90 135.00 137.01 1j5n s PRO 4 Ca 0.03 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1j5n s PRO 4 Cb -0.13 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1j5n s PRO 4 CO -0.11 -2.55 0.00 -2.13 0.04 0.00 0.00 177.00 172.25 1j5n n ARG 5 N -4.08 0.00 -1.70 4.56 3.00 -1.26 -5.13 116.66 112.06 1j5n n ARG 5 Ca 0.06 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.47 1j5n n ARG 5 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.98 1j5n n ARG 5 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1j5n n GLU 6 N 0.00 2.56 -1.52 -0.14 0.28 -1.26 -4.81 120.64 115.75 1j5n n GLU 6 Ca 0.00 0.92 -0.40 0.00 -0.16 0.00 0.00 57.16 57.52 1j5n n GLU 6 Cb 0.00 -2.76 -0.08 0.00 1.43 0.00 0.00 31.44 30.03 1j5n n GLU 6 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1j5n n PRO 7 N 4.27 0.68 -1.58 3.44 -0.02 -1.26 -4.78 135.00 135.76 1j5n n PRO 7 Ca 0.17 0.04 -0.61 0.00 -2.02 0.00 0.00 63.50 61.08 1j5n n PRO 7 Cb 0.33 -2.61 -0.09 0.00 -0.02 0.00 0.00 33.50 31.11 1j5n n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1j5n n LYS 8 N 8.70 0.00 0.00 -0.52 4.76 -1.26 -4.90 118.16 124.95 1j5n n LYS 8 Ca 0.48 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1j5n n LYS 8 Cb 0.32 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1j5n n LYS 8 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j5n n LYS 9 N 3.56 0.82 0.00 1.97 4.76 -1.26 -4.81 118.16 123.20 1j5n n LYS 9 Ca 0.28 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 1j5n n LYS 9 Cb -0.05 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1j5n n LYS 9 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1j5n n ARG 10 N -0.34 0.00 0.00 1.97 0.63 -1.26 -4.65 116.66 113.01 1j5n n ARG 10 Ca 0.00 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1j5n n ARG 10 Cb 0.00 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1j5n n ARG 10 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1j5n n THR 11 N -2.39 0.00 -2.70 5.15 -1.04 -1.26 -4.88 114.28 107.16 1j5n n THR 11 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j5n n THR 11 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1j5n n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1j5n n THR 12 N 0.00 -1.43 -1.09 12.58 -2.24 -1.26 -4.46 114.28 116.37 1j5n n THR 12 Ca 0.00 0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.65 1j5n n THR 12 Cb 0.00 -2.39 -0.06 0.00 -2.10 0.00 0.00 70.33 65.78 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1j5n n ARG 13 N 1.49 0.00 0.00 -0.78 1.85 -1.26 -4.91 116.66 113.05 1j5n n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j5n n ARG 13 Cb 0.30 -0.96 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j5n n LYS 14 N 2.27 2.53 -4.08 2.89 3.00 -1.26 -5.16 118.16 118.35 1j5n n LYS 14 Ca 0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.18 1j5n n LYS 14 Cb -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.94 1j5n n LYS 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1j5n s LYS 15 N 1.60 2.94 0.00 1.64 1.02 -1.26 -5.03 119.74 120.64 1j5n s LYS 15 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1j5n s LYS 15 Cb 0.00 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1j5n s LYS 15 CO 0.00 0.59 0.00 1.17 -0.92 0.00 0.00 175.35 176.19 1j5n n LYS 16 N 0.72 0.00 0.00 1.68 4.81 -1.26 -5.18 118.16 118.93 1j5n n LYS 16 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1j5n n LYS 16 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j5n n ASP 17 N 0.00 0.00 0.27 3.14 9.92 -1.26 -4.88 116.55 123.74 1j5n n ASP 17 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.10 1j5n n ASP 17 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1j5n h PRO 18 N 0.00 -0.63 0.00 -0.24 0.13 -1.98 -3.36 132.00 125.92 1j5n h PRO 18 Ca 0.00 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1j5n h PRO 18 Cb 0.00 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 1j5n h PRO 18 CO 0.00 -0.42 -1.17 0.09 -0.23 0.00 0.00 178.00 176.27 1j5n n ASN 19 N -5.38 4.20 -2.77 1.44 3.02 -1.26 -5.07 115.26 109.44 1j5n n ASN 19 Ca -0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1j5n n ASN 19 Cb 0.28 1.06 -0.01 0.00 -0.61 0.00 0.00 39.78 40.51 1j5n n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 20 N -1.71 -1.39 -0.09 5.41 0.00 -1.26 -4.88 120.51 116.59 1j5n n ALA 20 Ca -0.01 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 1j5n n ALA 20 Cb 0.18 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 1j5n n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j5n h PRO 21 N 4.71 0.53 -0.99 0.00 0.11 -1.95 -3.48 132.00 130.93 1j5n h PRO 21 Ca -0.08 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1j5n h PRO 21 Cb 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1j5n h PRO 21 CO 0.00 0.74 0.00 1.63 -0.21 0.00 0.00 178.00 180.16 1j5n n LYS 22 N -4.51 0.00 0.00 1.05 5.02 -1.26 -4.95 118.16 113.51 1j5n n LYS 22 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1j5n n LYS 22 Cb 0.31 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1j5n n LYS 22 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1j5n n ARG 23 N -0.50 0.00 -4.61 1.97 1.85 -1.26 -4.82 116.66 109.29 1j5n n ARG 23 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 1j5n n ARG 23 Cb 0.26 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.57 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n s ALA 24 N -0.49 3.24 1.00 2.89 0.00 -1.26 -4.70 121.76 122.43 1j5n s ALA 24 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1j5n s ALA 24 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1j5n s ALA 24 CO 0.00 -0.17 0.00 1.28 0.00 0.00 0.00 175.76 176.87 1j5n n LEU 25 N -0.99 0.00 -4.29 0.00 4.32 -1.26 -5.02 117.00 109.76 1j5n n LEU 25 Ca -0.09 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.74 1j5n n LEU 25 Cb 0.67 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.37 1j5n n LEU 25 CO 0.42 -1.13 -0.42 -0.55 -1.22 0.00 0.00 177.39 174.49 1j5n s SER 26 N -1.71 2.15 0.60 -1.43 0.15 -1.26 -4.90 113.70 107.30 1j5n s SER 26 Ca 0.00 -1.01 0.33 0.00 0.70 0.00 0.00 55.95 55.97 1j5n s SER 26 Cb 0.00 -0.07 1.94 0.00 -1.71 0.00 0.00 66.02 66.18 1j5n s SER 26 CO 0.00 -0.26 2.27 0.00 1.20 0.00 0.00 173.24 176.45 1j5n h ALA 27 N 2.69 1.39 0.00 5.45 0.00 -1.89 0.52 119.26 127.42 1j5n h ALA 27 Ca -0.37 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1j5n h ALA 27 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1j5n h ALA 27 CO 0.63 0.01 -0.26 -0.92 0.00 0.00 0.00 179.25 178.70 1j5n h TYR 28 N 0.00 0.00 0.12 0.00 5.03 -1.95 -2.33 116.97 117.83 1j5n h TYR 28 Ca -0.00 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.13 1j5n h TYR 28 Cb 0.03 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.32 1j5n h TYR 28 CO 0.00 0.26 -0.80 0.52 -1.32 0.00 0.00 178.16 176.82 1j5n h MET 29 N 0.00 0.25 -0.25 1.82 0.00 -1.31 0.36 114.93 115.81 1j5n h MET 29 Ca -0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 59.70 59.23 1j5n h MET 29 Cb 1.09 0.16 -0.01 0.00 0.00 0.00 0.00 31.60 32.84 1j5n h MET 29 CO 0.03 1.21 0.03 0.74 0.00 0.00 0.00 176.91 178.92 1j5n h PHE 30 N -0.45 0.45 0.31 -0.22 0.04 -1.53 0.36 116.94 115.90 1j5n h PHE 30 Ca -0.15 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 1j5n h PHE 30 Cb 1.58 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.61 1j5n h PHE 30 CO 0.20 0.55 -0.15 0.35 -0.60 0.00 0.00 178.31 178.66 1j5n h PHE 31 N 0.22 -0.39 -0.15 -0.55 3.57 -1.55 -2.44 116.94 115.65 1j5n h PHE 31 Ca 0.07 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1j5n h PHE 31 Cb 0.35 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1j5n h PHE 31 CO 0.02 -0.06 0.27 0.00 -2.23 0.00 0.00 178.31 176.31 1j5n h ALA 32 N -0.20 1.62 -0.02 2.41 0.00 -0.91 0.65 119.26 122.81 1j5n h ALA 32 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1j5n h ALA 32 Cb 0.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1j5n h ALA 32 CO 0.07 -0.35 -0.01 -0.91 0.00 0.00 0.00 179.25 178.06 1j5n h ASN 33 N 0.00 0.05 -0.47 0.00 2.35 0.18 0.11 115.58 117.79 1j5n h ASN 33 Ca 0.07 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1j5n h ASN 33 Cb 0.61 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1j5n h ASN 33 CO -0.00 0.45 0.19 -0.33 -1.65 0.00 0.00 177.43 176.09 1j5n h GLU 34 N -0.34 0.70 0.00 0.81 4.39 -0.53 -3.32 114.58 116.28 1j5n h GLU 34 Ca 0.01 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1j5n h GLU 34 Cb 0.43 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1j5n h GLU 34 CO 0.00 0.63 0.00 0.09 -1.16 0.00 0.00 179.01 178.57 1j5n n ASN 35 N -4.59 0.00 0.00 1.42 5.03 -0.30 -2.25 115.26 114.57 1j5n n ASN 35 Ca 0.01 0.78 0.00 0.00 0.87 0.00 0.00 54.58 56.24 1j5n n ASN 35 Cb 0.15 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 1j5n n ASN 35 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1j5n n ARG 36 N -1.59 0.00 0.13 3.52 0.63 0.36 0.41 116.66 120.12 1j5n n ARG 36 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1j5n n ARG 36 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1j5n n ARG 36 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1j5n h ASP 37 N 0.00 -0.32 0.00 6.15 3.32 -1.70 -1.50 116.42 122.38 1j5n h ASP 37 Ca 0.00 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1j5n h ASP 37 Cb 0.00 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1j5n h ASP 37 CO 0.00 0.11 -0.00 0.40 -1.72 0.00 0.00 179.24 178.03 1j5n h ILE 38 N -0.84 0.00 -0.14 0.35 5.03 0.84 0.42 117.51 123.16 1j5n h ILE 38 Ca -0.04 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.73 1j5n h ILE 38 Cb 0.52 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.24 1j5n h ILE 38 CO 0.06 0.00 -0.54 0.58 -0.68 0.00 0.00 178.15 177.58 1j5n h VAL 39 N -0.01 0.00 0.00 1.67 2.07 -0.30 0.16 116.25 119.84 1j5n h VAL 39 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1j5n h VAL 39 Cb 0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1j5n h VAL 39 CO -0.00 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 1j5n n ARG 40 N -5.37 0.12 0.06 1.57 -4.01 -0.56 -1.06 116.66 107.40 1j5n n ARG 40 Ca -0.06 0.52 -0.02 0.00 -1.04 0.00 0.00 57.85 57.24 1j5n n ARG 40 Cb 0.37 -1.81 -0.07 0.00 -3.04 0.00 0.00 32.46 27.91 1j5n n ARG 40 CO 0.00 0.00 0.00 0.77 -3.04 0.00 0.00 177.63 175.36 1j5n h SER 41 N 0.00 0.00 0.46 2.89 0.02 0.26 -2.32 113.55 114.86 1j5n h SER 41 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j5n h SER 41 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1j5n h SER 41 CO 0.00 0.73 -0.99 -0.62 -1.14 0.00 0.00 176.83 174.81 1j5n n GLU 42 N -3.12 0.28 -3.13 3.45 1.02 -0.23 -4.45 120.64 114.46 1j5n n GLU 42 Ca -0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.92 1j5n n GLU 42 Cb 0.87 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1j5n n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j5n n ASN 43 N -1.96 0.61 0.24 1.62 3.02 -0.34 -4.94 115.26 113.52 1j5n n ASN 43 Ca 0.02 -3.05 0.15 0.00 -0.03 0.00 0.00 54.58 51.68 1j5n n ASN 43 Cb 0.43 -0.43 0.82 0.00 -0.61 0.00 0.00 39.78 40.00 1j5n n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1j5n h PRO 44 N 3.00 0.00 0.23 3.52 0.11 -1.63 -2.62 132.00 134.60 1j5n h PRO 44 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1j5n h PRO 44 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1j5n h PRO 44 CO 0.47 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.71 1j5n h ASP 45 N 0.00 -0.26 -2.36 -2.05 5.19 -1.92 -3.45 116.42 111.57 1j5n h ASP 45 Ca 0.00 -0.26 -0.61 0.00 -0.62 0.00 0.00 57.03 55.54 1j5n h ASP 45 Cb 0.10 0.07 0.09 0.00 0.18 0.00 0.00 39.33 39.77 1j5n h ASP 45 CO 0.00 0.24 0.33 2.30 -3.12 0.00 0.00 179.24 178.99 1j5n n ILE 46 N -4.99 1.30 -2.73 0.35 -5.35 -0.99 -4.99 119.36 101.96 1j5n n ILE 46 Ca -0.08 -0.32 -0.22 0.00 -0.27 0.00 0.00 62.75 61.86 1j5n n ILE 46 Cb 0.25 -1.09 0.08 0.00 -1.74 0.00 0.00 39.64 37.15 1j5n n ILE 46 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1j5n s THR 47 N -0.47 2.23 0.53 7.28 2.01 -1.26 -4.46 115.64 121.50 1j5n s THR 47 Ca 0.67 -0.73 0.46 0.00 0.31 0.00 0.00 61.69 62.40 1j5n s THR 47 Cb -0.74 -2.50 0.69 0.00 0.01 0.00 0.00 72.50 69.96 1j5n s THR 47 CO 0.54 0.00 1.54 0.33 -0.69 0.00 0.00 174.62 176.35 1j5n n PHE 48 N -2.58 0.14 -0.07 4.92 7.35 -1.26 0.28 117.46 126.24 1j5n n PHE 48 Ca 0.14 0.14 -0.13 0.00 -0.76 0.00 0.00 57.45 56.84 1j5n n PHE 48 Cb 0.61 -0.62 -0.06 0.00 0.35 0.00 0.00 39.48 39.75 1j5n n PHE 48 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1j5n h GLY 49 N 0.00 0.48 0.00 7.13 0.00 -1.95 0.77 103.07 109.50 1j5n h GLY 49 Ca 0.92 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 1j5n h GLY 49 CO -0.10 0.44 -0.21 0.06 0.00 0.00 0.00 176.54 176.73 1j5n h GLN 50 N 0.11 0.00 -0.81 4.80 -0.00 -0.50 -2.62 115.11 116.09 1j5n h GLN 50 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.80 1j5n h GLN 50 Cb 0.70 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.13 1j5n h GLN 50 CO 0.04 0.00 0.53 -0.24 -0.00 0.00 0.00 178.83 179.17 1j5n h VAL 51 N -1.00 0.89 0.00 1.86 3.04 -1.08 0.19 116.25 120.15 1j5n h VAL 51 Ca -0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1j5n h VAL 51 Cb 0.22 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 1j5n h VAL 51 CO -0.00 0.12 0.00 0.61 -1.01 0.00 0.00 177.57 177.29 1j5n n GLY 52 N -1.46 1.43 0.35 3.17 0.00 0.25 -1.47 105.19 107.47 1j5n n GLY 52 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1j5n n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j5n n LYS 53 N -0.50 -0.08 -0.02 1.61 5.02 -0.99 0.15 118.16 123.35 1j5n n LYS 53 Ca 0.00 1.51 -0.10 0.00 -2.02 0.00 0.00 58.31 57.70 1j5n n LYS 53 Cb 0.00 -2.35 -0.04 0.00 -0.02 0.00 0.00 35.03 32.62 1j5n n LYS 53 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1j5n h LYS 54 N 0.00 0.20 -0.86 1.97 3.11 -1.07 -2.42 116.57 117.49 1j5n h LYS 54 Ca 0.55 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.48 1j5n h LYS 54 Cb 1.03 -0.05 -0.12 0.00 -1.00 0.00 0.00 32.23 32.10 1j5n h LYS 54 CO -0.97 0.13 -0.45 -0.11 -2.81 0.00 0.00 179.45 175.25 1j5n n LEU 55 N -4.98 -0.78 -0.30 5.20 0.00 0.40 0.15 117.00 116.68 1j5n n LEU 55 Ca -0.04 1.53 -0.01 0.00 0.00 0.00 0.00 56.01 57.49 1j5n n LEU 55 Cb 0.03 -0.25 0.12 0.00 0.00 0.00 0.00 43.42 43.31 1j5n n LEU 55 CO 0.33 -1.29 1.19 1.23 0.00 0.00 0.00 177.39 178.85 1j5n h GLY 56 N 0.00 1.21 0.24 -3.96 0.00 -1.15 0.20 103.07 99.61 1j5n h GLY 56 Ca 0.20 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1j5n h GLY 56 CO -0.83 0.29 -0.34 -2.09 0.00 0.00 0.00 176.54 173.58 1j5n h GLU 57 N 0.97 -0.45 0.00 4.80 4.57 0.18 -0.17 114.58 124.48 1j5n h GLU 57 Ca 0.34 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 1j5n h GLU 57 Cb 0.09 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1j5n h GLU 57 CO -0.14 -0.30 -0.16 0.87 -1.18 0.00 0.00 179.01 178.10 1j5n h LYS 58 N -0.47 0.00 0.11 1.92 1.79 -0.55 -0.94 116.57 118.43 1j5n h LYS 58 Ca 0.07 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1j5n h LYS 58 Cb 0.57 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1j5n h LYS 58 CO -0.30 0.16 -0.24 2.35 -1.08 0.00 0.00 179.45 180.34 1j5n h TRP 59 N 0.00 -0.64 0.00 -1.35 -0.00 0.13 -1.80 115.95 112.29 1j5n h TRP 59 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j5n h TRP 59 Cb 0.53 0.27 0.00 0.00 -0.00 0.00 0.00 29.16 29.96 1j5n h TRP 59 CO 0.00 -0.34 -0.35 0.87 -0.00 0.00 0.00 178.44 178.62 1j5n h LYS 60 N -0.44 0.00 -0.20 2.65 1.57 -1.35 -3.30 116.57 115.50 1j5n h LYS 60 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1j5n h LYS 60 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1j5n h LYS 60 CO -0.14 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.49 1j5n h ALA 61 N 2.46 1.19 -2.60 3.86 0.00 -0.51 -3.34 119.26 120.32 1j5n h ALA 61 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1j5n h ALA 61 Cb 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j5n h ALA 61 CO 0.00 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1j5n n LEU 62 N -4.13 0.00 0.00 0.00 4.77 -0.74 -5.05 117.00 111.85 1j5n n LEU 62 Ca -0.01 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1j5n n LEU 62 Cb 0.39 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1j5n n LEU 62 CO 0.41 -0.07 0.00 0.41 -1.33 0.00 0.00 177.39 176.81 1j5n n THR 63 N -0.74 0.00 -0.33 -5.08 -1.04 -1.26 -4.85 114.28 100.98 1j5n n THR 63 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.16 1j5n n THR 63 Cb 0.00 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 68.81 1j5n n THR 63 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1j5n h PRO 64 N 0.00 0.03 -0.31 -2.82 0.11 -1.94 0.56 132.00 127.64 1j5n h PRO 64 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1j5n h PRO 64 Cb 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1j5n h PRO 64 CO 0.00 0.02 0.15 1.49 -0.21 0.00 0.00 178.00 179.45 1j5n h GLU 65 N 0.03 0.30 -0.07 1.05 4.81 -2.00 0.06 114.58 118.77 1j5n h GLU 65 Ca 0.59 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.83 1j5n h GLU 65 Cb 1.24 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1j5n h GLU 65 CO -0.87 0.20 0.08 0.93 -0.73 0.00 0.00 179.01 178.62 1j5n h GLU 66 N 0.31 0.00 0.00 1.92 4.39 -0.27 0.66 114.58 121.60 1j5n h GLU 66 Ca 0.13 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.68 1j5n h GLU 66 Cb 0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1j5n h GLU 66 CO -0.09 0.00 -0.71 0.87 -1.16 0.00 0.00 179.01 177.91 1j5n h LYS 67 N 0.00 0.00 -0.56 2.33 1.57 0.35 -3.36 116.57 116.90 1j5n h LYS 67 Ca 0.03 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1j5n h LYS 67 Cb 0.19 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.40 1j5n h LYS 67 CO -0.00 0.67 -0.16 1.04 -0.57 0.00 0.00 179.45 180.44 1j5n n GLN 68 N -3.26 -0.07 0.12 3.15 6.02 0.22 0.53 117.38 124.09 1j5n n GLN 68 Ca 0.01 0.87 -0.14 0.00 -0.01 0.00 0.00 57.00 57.73 1j5n n GLN 68 Cb 0.81 -1.30 -0.07 0.00 1.02 0.00 0.00 30.24 30.71 1j5n n GLN 68 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1j5n h PRO 69 N 0.00 -0.58 0.00 -1.09 0.11 -1.76 -0.00 132.00 128.68 1j5n h PRO 69 Ca 0.25 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1j5n h PRO 69 Cb 0.39 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1j5n h PRO 69 CO -0.57 -0.39 -0.08 1.88 -0.21 0.00 0.00 178.00 178.63 1j5n h TYR 70 N -0.60 0.00 -0.99 0.65 -1.99 -0.41 -1.77 116.97 111.86 1j5n h TYR 70 Ca 0.03 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.95 1j5n h TYR 70 Cb 0.63 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.17 1j5n h TYR 70 CO -0.32 0.00 -0.24 1.49 -0.00 0.00 0.00 178.16 179.08 1j5n h GLU 71 N -0.90 0.00 -0.72 4.88 4.22 -0.05 3.23 114.58 125.25 1j5n h GLU 71 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1j5n h GLU 71 Cb 0.08 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1j5n h GLU 71 CO 0.00 0.00 0.42 0.00 -2.18 0.00 0.00 179.01 177.25 1j5n h ALA 72 N 1.99 0.91 0.00 2.92 0.00 -1.08 0.45 119.26 124.45 1j5n h ALA 72 Ca 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1j5n h ALA 72 Cb 0.73 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j5n h ALA 72 CO -1.02 0.40 0.01 -0.22 0.00 0.00 0.00 179.25 178.42 1j5n h LYS 73 N 0.98 0.00 -0.00 0.00 3.64 0.62 -0.72 116.57 121.08 1j5n h LYS 73 Ca 0.26 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1j5n h LYS 73 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1j5n h LYS 73 CO -0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 179.45 177.03 1j5n h ALA 74 N 1.97 0.02 -0.38 5.00 0.00 0.66 -1.33 119.26 125.19 1j5n h ALA 74 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1j5n h ALA 74 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1j5n h ALA 74 CO 0.00 -0.03 0.25 1.96 0.00 0.00 0.00 179.25 181.43 1j5n h GLN 75 N -0.64 0.47 -0.24 0.00 4.20 -0.72 0.38 115.11 118.56 1j5n h GLN 75 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1j5n h GLN 75 Cb 0.86 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1j5n h GLN 75 CO 0.02 0.31 0.12 0.00 -0.67 0.00 0.00 178.83 178.61 1j5n h ALA 76 N 1.77 0.31 0.00 3.87 0.00 -1.11 -1.81 119.26 122.29 1j5n h ALA 76 Ca 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j5n h ALA 76 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1j5n h ALA 76 CO -0.03 -0.14 -0.18 0.22 0.00 0.00 0.00 179.25 179.12 1j5n h ASP 77 N 0.26 0.00 -0.35 0.00 1.82 -0.16 -1.96 116.42 116.02 1j5n h ASP 77 Ca 0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1j5n h ASP 77 Cb 0.11 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1j5n h ASP 77 CO -0.01 0.18 0.19 0.50 -1.61 0.00 0.00 179.24 178.50 1j5n h LYS 78 N 0.00 0.50 -0.31 0.28 3.64 0.55 -2.45 116.57 118.77 1j5n h LYS 78 Ca -0.00 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.16 1j5n h LYS 78 Cb 0.69 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1j5n h LYS 78 CO 0.02 0.41 -0.43 0.87 -2.27 0.00 0.00 179.45 178.06 1j5n h LYS 79 N 0.45 0.84 -0.81 1.90 1.79 -1.25 -0.57 116.57 118.92 1j5n h LYS 79 Ca 0.12 -0.49 0.07 0.00 -2.18 0.00 0.00 60.65 58.18 1j5n h LYS 79 Cb 0.06 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.65 1j5n h LYS 79 CO -0.02 1.12 -0.48 -2.13 -1.08 0.00 0.00 179.45 176.87 1j5n n ARG 80 N -4.10 -0.36 0.09 3.15 0.00 -0.75 0.35 116.66 115.04 1j5n n ARG 80 Ca -0.04 1.33 -0.06 0.00 -0.00 0.00 0.00 57.85 59.08 1j5n n ARG 80 Cb 0.56 -1.97 0.06 0.00 0.00 0.00 0.00 32.46 31.12 1j5n n ARG 80 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1j5n h TYR 81 N 0.00 0.28 -1.04 -0.14 5.03 -1.48 -3.05 116.97 116.57 1j5n h TYR 81 Ca 0.13 -0.13 0.30 0.00 2.58 0.00 0.00 58.73 61.61 1j5n h TYR 81 Cb 0.33 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 1j5n h TYR 81 CO -0.94 0.86 1.00 1.49 -1.32 0.00 0.00 178.16 179.25 1j5n h GLU 82 N 0.13 0.00 -0.03 1.82 4.81 0.16 0.90 114.58 122.37 1j5n h GLU 82 Ca -0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1j5n h GLU 82 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1j5n h GLU 82 CO 0.11 0.00 -0.12 0.77 -0.73 0.00 0.00 179.01 179.04 1j5n h SER 83 N 0.00 0.16 0.43 1.04 0.02 -1.14 -1.33 113.55 112.73 1j5n h SER 83 Ca 0.49 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1j5n h SER 83 Cb 2.50 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.99 1j5n h SER 83 CO -0.01 0.77 0.00 -1.84 -1.14 0.00 0.00 176.83 174.62 1j5n n GLU 84 N -4.64 0.10 -0.09 3.45 0.28 0.30 -1.98 120.64 118.05 1j5n n GLU 84 Ca -0.09 0.42 -0.18 0.00 -0.16 0.00 0.00 57.16 57.15 1j5n n GLU 84 Cb 0.39 -1.72 -0.10 0.00 1.43 0.00 0.00 31.44 31.44 1j5n n GLU 84 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1j5n h LYS 85 N 0.00 0.00 -0.88 3.44 2.10 -1.03 -0.52 116.57 119.68 1j5n h LYS 85 Ca 0.00 0.00 0.21 0.00 -2.00 0.00 0.00 60.65 58.86 1j5n h LYS 85 Cb 0.22 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.49 1j5n h LYS 85 CO 0.00 0.84 0.59 1.05 -2.00 0.00 0.00 179.45 179.93 1j5n h GLU 86 N -1.00 0.34 0.21 0.07 4.11 -1.01 0.14 114.58 117.44 1j5n h GLU 86 Ca -0.25 -0.02 -0.33 0.00 0.07 0.00 0.00 59.36 58.83 1j5n h GLU 86 Cb 1.12 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.32 1j5n h GLU 86 CO -0.15 0.22 -1.57 1.25 0.07 0.00 0.00 179.01 178.83 1j5n h LEU 87 N 0.35 0.70 -0.85 3.06 6.46 -1.53 -1.67 115.31 121.83 1j5n h LEU 87 Ca 0.45 -0.93 0.33 0.00 -0.12 0.00 0.00 57.88 57.62 1j5n h LEU 87 Cb 1.22 -0.23 -0.15 0.00 -0.73 0.00 0.00 40.66 40.77 1j5n h LEU 87 CO -0.15 1.73 0.37 0.00 -0.62 0.00 0.00 178.44 179.77 1j5n n TYR 88 N -3.70 0.90 -0.04 1.25 9.36 0.42 0.21 117.16 125.56 1j5n n TYR 88 Ca -0.21 1.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.92 1j5n n TYR 88 Cb 1.07 -1.36 -0.14 0.00 -0.63 0.00 0.00 39.34 38.27 1j5n n TYR 88 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1j5n n ASN 89 N -4.97 0.78 0.00 2.98 0.23 -0.84 -1.79 115.26 111.65 1j5n n ASN 89 Ca 0.30 0.30 0.07 0.00 -0.53 0.00 0.00 54.58 54.72 1j5n n ASN 89 Cb 1.01 0.12 0.44 0.00 -2.08 0.00 0.00 39.78 39.26 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j5n n ALA 90 N -2.64 2.28 0.00 -2.53 0.00 0.56 -1.93 120.51 116.25 1j5n n ALA 90 Ca -0.22 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1j5n n ALA 90 Cb 1.08 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1j5n n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j5n n THR 91 N -0.83 0.00 -0.13 0.00 5.66 0.26 -4.82 114.28 114.43 1j5n n THR 91 Ca 0.11 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.09 1j5n n THR 91 Cb 0.05 -0.71 0.20 0.00 -1.55 0.00 0.00 70.33 68.32 1j5n n THR 91 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1j5n h LEU 92 N 0.00 0.76 -1.09 1.09 8.10 -1.43 -3.51 115.31 119.23 1j5n h LEU 92 Ca 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.86 1j5n h LEU 92 Cb 0.40 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.43 1j5n h LEU 92 CO 0.00 0.73 0.00 0.00 -4.11 0.00 0.00 178.44 175.06