#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5p s SER 27 N 0.00 6.95 0.99 1.61 1.04 -1.26 -4.99 113.70 118.04 1n5p s SER 27 Ca 0.00 -2.92 0.00 0.00 0.48 0.00 0.00 55.95 53.51 1n5p s SER 27 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1n5p s SER 27 CO 0.00 -0.55 0.00 1.41 0.98 0.00 0.00 173.24 175.08 1n5p n HIS 28 N 3.99 -1.90 -3.84 5.02 -0.00 -1.26 -4.95 115.22 112.29 1n5p n HIS 28 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1n5p n HIS 28 Cb 0.45 0.29 -0.08 0.00 -0.00 0.00 0.00 29.99 30.64 1n5p n HIS 28 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1n5p s MET 29 N 0.00 0.73 0.53 -0.41 1.00 -1.26 -5.16 119.30 114.73 1n5p s MET 29 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 55.69 54.84 1n5p s MET 29 Cb 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 34.83 35.07 1n5p s MET 29 CO 0.00 -0.22 1.03 1.14 0.00 0.00 0.00 175.02 176.97 1n5p s GLN 30 N -2.79 3.69 -0.41 2.03 1.03 -1.26 -4.45 119.66 117.50 1n5p s GLN 30 Ca -0.03 1.20 -0.17 0.00 0.04 0.00 0.00 55.36 56.39 1n5p s GLN 30 Cb -0.00 -2.09 0.02 0.00 0.03 0.00 0.00 33.01 30.97 1n5p s GLN 30 CO -0.05 -0.50 0.53 0.00 -2.54 0.00 0.00 175.29 172.73 1n5p n ALA 31 N -1.46 -2.97 -3.25 2.60 0.00 -1.26 -5.02 120.51 109.16 1n5p n ALA 31 Ca 0.08 0.99 -0.23 0.00 0.00 0.00 0.00 53.44 54.29 1n5p n ALA 31 Cb 0.53 -3.25 -0.07 0.00 0.00 0.00 0.00 19.45 16.65 1n5p n ALA 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n5p n LEU 32 N -0.14 -0.86 -3.64 0.00 7.94 -1.26 -4.83 117.00 114.21 1n5p n LEU 32 Ca 0.08 -4.20 -0.03 0.00 -1.11 0.00 0.00 56.01 50.76 1n5p n LEU 32 Cb 0.44 0.60 -0.02 0.00 0.53 0.00 0.00 43.42 44.97 1n5p n LEU 32 CO 0.48 1.91 1.16 -0.55 -1.11 0.00 0.00 177.39 179.28 1n5p s SER 33 N -0.12 -0.03 0.25 1.96 0.15 -1.26 -4.98 113.70 109.67 1n5p s SER 33 Ca 0.33 0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.96 1n5p s SER 33 Cb 0.06 0.03 0.32 0.00 -1.71 0.00 0.00 66.02 64.72 1n5p s SER 33 CO -0.17 -0.05 1.76 0.22 1.20 0.00 0.00 173.24 176.20 1n5p h TYR 34 N 2.00 0.88 -0.55 3.44 3.20 -1.95 -2.23 116.97 121.76 1n5p h TYR 34 Ca -0.03 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.68 1n5p h TYR 34 Cb 1.13 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1n5p h TYR 34 CO 0.29 0.80 0.16 -0.09 -1.64 0.00 0.00 178.16 177.68 1n5p h ARG 35 N 0.77 0.83 -0.46 1.82 9.65 -1.99 -1.72 114.38 123.29 1n5p h ARG 35 Ca 0.15 -0.15 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 1n5p h ARG 35 Cb 0.44 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1n5p h ARG 35 CO 0.02 0.73 -0.17 0.93 2.80 0.00 0.00 179.97 184.28 1n5p h GLU 36 N 0.81 0.88 -0.66 0.20 3.07 -1.83 -1.22 114.58 115.84 1n5p h GLU 36 Ca 0.18 -0.34 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 1n5p h GLU 36 Cb 0.25 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1n5p h GLU 36 CO -0.01 0.98 0.13 0.00 -1.40 0.00 0.00 179.01 178.72 1n5p h ALA 37 N 1.02 0.88 -0.46 3.43 0.00 -0.88 -2.18 119.26 121.07 1n5p h ALA 37 Ca 0.12 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1n5p h ALA 37 Cb 0.70 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1n5p h ALA 37 CO 0.05 0.62 -0.23 0.28 0.00 0.00 0.00 179.25 179.98 1n5p h VAL 38 N 1.00 1.27 -0.68 0.00 2.07 -1.15 -2.00 116.25 116.77 1n5p h VAL 38 Ca 0.20 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.38 1n5p h VAL 38 Cb 0.41 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1n5p h VAL 38 CO 0.01 0.47 0.40 0.25 0.02 0.00 0.00 177.57 178.73 1n5p h LEU 39 N 0.81 0.64 -0.50 2.57 5.85 -0.94 0.41 115.31 124.16 1n5p h LEU 39 Ca 0.11 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1n5p h LEU 39 Cb 0.79 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1n5p h LEU 39 CO 0.07 0.43 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.46 1n5p h ARG 40 N 0.77 0.91 -0.36 1.25 2.43 -1.23 -1.10 114.38 117.05 1n5p h ARG 40 Ca 0.28 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1n5p h ARG 40 Cb 0.09 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1n5p h ARG 40 CO -0.14 0.96 -0.29 0.00 -1.51 0.00 0.00 179.97 178.99 1n5p h ALA 41 N 0.92 0.80 -0.33 2.80 0.00 -0.72 -0.75 119.26 121.98 1n5p h ALA 41 Ca 0.14 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1n5p h ALA 41 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n5p h ALA 41 CO 0.03 0.65 -0.33 0.28 0.00 0.00 0.00 179.25 179.88 1n5p h VAL 42 N 0.66 1.29 0.00 0.00 2.07 -0.05 -0.60 116.25 119.62 1n5p h VAL 42 Ca 0.08 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1n5p h VAL 42 Cb 0.82 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1n5p h VAL 42 CO 0.07 0.49 0.00 -0.78 0.02 0.00 0.00 177.57 177.37 1n5p h ASP 43 N 0.58 0.00 0.35 0.57 1.82 -1.16 -2.82 116.42 115.76 1n5p h ASP 43 Ca 0.05 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.37 1n5p h ASP 43 Cb 0.91 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.90 1n5p h ASP 43 CO 0.08 0.00 -1.73 0.03 -1.61 0.00 0.00 179.24 176.01 1n5p h ARG 44 N 0.00 0.20 -0.19 0.28 3.08 -0.99 -2.78 114.38 113.98 1n5p h ARG 44 Ca 0.00 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.59 1n5p h ARG 44 Cb 0.77 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1n5p h ARG 44 CO 0.00 1.01 -0.39 1.25 -1.07 0.00 0.00 179.97 180.76 1n5p h LEU 45 N 0.05 0.44 0.00 3.04 6.46 -1.11 0.17 115.31 124.36 1n5p h LEU 45 Ca -0.32 -0.19 -0.15 0.00 -0.12 0.00 0.00 57.88 57.11 1n5p h LEU 45 Cb 2.02 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.81 1n5p h LEU 45 CO 0.12 0.79 -0.93 -0.55 -0.62 0.00 0.00 178.44 177.25 1n5p h ASN 46 N 0.35 0.00 0.25 1.25 -1.07 -1.62 -3.11 115.58 111.63 1n5p h ASN 46 Ca 0.03 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.06 1n5p h ASN 46 Cb 0.85 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.09 1n5p h ASN 46 CO 0.07 0.62 -1.81 -0.08 0.07 0.00 0.00 177.43 176.30 1n5p h GLU 47 N 0.00 0.27 -0.67 4.14 4.81 -1.39 -3.34 114.58 118.40 1n5p h GLU 47 Ca -0.07 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1n5p h GLU 47 Cb 1.53 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1n5p h GLU 47 CO 0.07 1.14 0.00 0.94 -0.73 0.00 0.00 179.01 180.43 1n5p n GLN 48 N -3.45 2.71 -4.22 1.92 7.27 0.59 -4.88 117.38 117.32 1n5p n GLN 48 Ca -0.25 -1.57 -0.18 0.00 0.07 0.00 0.00 57.00 55.07 1n5p n GLN 48 Cb 1.06 -1.73 -0.11 0.00 2.41 0.00 0.00 30.24 31.86 1n5p n GLN 48 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1n5p s SER 49 N -0.58 1.87 0.00 1.69 0.15 -1.17 -4.99 113.70 110.67 1n5p s SER 49 Ca 0.28 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1n5p s SER 49 Cb 0.19 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1n5p s SER 49 CO 0.11 -0.14 0.00 -1.20 1.20 0.00 0.00 173.24 173.21 1n5p n SER 50 N 0.69 0.00 -0.97 5.45 7.64 -1.26 -4.83 113.62 120.33 1n5p n SER 50 Ca -0.17 0.26 0.08 0.00 1.01 0.00 0.00 58.87 60.05 1n5p n SER 50 Cb 0.56 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1n5p n SER 50 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1n5p n GLU 51 N -1.68 -1.21 -0.12 1.43 4.07 -1.26 -4.66 120.64 117.21 1n5p n GLU 51 Ca 0.00 0.80 -0.25 0.00 -0.06 0.00 0.00 57.16 57.65 1n5p n GLU 51 Cb 0.00 -1.48 -0.11 0.00 -0.06 0.00 0.00 31.44 29.79 1n5p n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n5p n ALA 52 N -1.00 0.96 -2.33 4.31 0.00 -1.26 -4.86 120.51 116.33 1n5p n ALA 52 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 53.44 52.53 1n5p n ALA 52 Cb 0.27 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1n5p n ALA 52 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n5p s ASN 53 N -7.11 1.33 0.77 0.00 0.01 -1.26 -3.85 114.94 104.82 1n5p s ASN 53 Ca -0.33 -1.39 -0.12 0.00 -0.71 0.00 0.00 52.86 50.31 1n5p s ASN 53 Cb 0.09 0.15 0.06 0.00 0.41 0.00 0.00 41.25 41.96 1n5p s ASN 53 CO 0.56 -0.72 1.12 -0.76 -1.51 0.00 0.00 177.10 175.78 1n5p s LEU 54 N -3.33 3.11 -0.27 0.60 1.43 -0.05 -4.39 118.68 115.78 1n5p s LEU 54 Ca 0.38 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 55.44 1n5p s LEU 54 Cb 0.08 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.84 1n5p s LEU 54 CO 0.14 -2.17 0.10 -0.31 0.23 0.00 0.00 176.35 174.34 1n5p s TYR 55 N -2.62 1.00 0.30 0.29 2.02 -1.26 -1.53 117.35 115.56 1n5p s TYR 55 Ca 0.65 -1.18 -0.19 0.00 -0.37 0.00 0.00 57.07 55.98 1n5p s TYR 55 Cb -0.20 -1.24 -0.09 0.00 -0.40 0.00 0.00 41.96 40.03 1n5p s TYR 55 CO 0.52 -0.79 0.79 0.50 -1.57 0.00 0.00 175.55 175.00 1n5p s ARG 56 N 1.86 4.20 -0.10 -0.62 3.00 -1.16 -4.73 118.95 121.41 1n5p s ARG 56 Ca 0.07 0.89 -0.29 0.00 -1.00 0.00 0.00 55.73 55.40 1n5p s ARG 56 Cb -0.17 -2.60 -0.06 0.00 0.00 0.00 0.00 34.95 32.13 1n5p s ARG 56 CO -0.25 0.23 1.81 -1.17 0.00 0.00 0.00 175.30 175.92 1n5p s LEU 57 N -2.53 4.12 -0.11 -0.88 0.20 -1.26 -2.49 118.68 115.73 1n5p s LEU 57 Ca 0.51 2.15 -0.17 0.00 0.69 0.00 0.00 54.13 57.31 1n5p s LEU 57 Cb -0.13 -3.53 -0.27 0.00 -0.43 0.00 0.00 46.19 41.83 1n5p s LEU 57 CO 0.19 -1.20 0.57 0.25 -0.29 0.00 0.00 176.35 175.87 1n5p h LEU 58 N 11.42 0.36 -7.73 -0.68 5.85 -0.15 -3.48 115.31 120.90 1n5p h LEU 58 Ca -0.41 -0.85 -0.19 0.00 0.84 0.00 0.00 57.88 57.27 1n5p h LEU 58 Cb 1.20 -0.12 -0.25 0.00 0.37 0.00 0.00 40.66 41.86 1n5p h LEU 58 CO 0.96 1.58 -0.62 -1.61 -0.34 0.00 0.00 178.44 178.42 1n5p s GLU 59 N -2.46 0.19 0.04 1.25 2.02 -0.92 -4.99 118.70 113.83 1n5p s GLU 59 Ca -0.20 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.72 1n5p s GLU 59 Cb 0.04 0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 1n5p s GLU 59 CO 0.76 -0.03 -0.01 -1.17 0.02 0.00 0.00 175.26 174.82 1n5p s LEU 60 N -0.45 3.42 0.34 1.80 2.96 -1.26 -0.18 118.68 125.31 1n5p s LEU 60 Ca -0.05 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1n5p s LEU 60 Cb -0.03 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1n5p s LEU 60 CO 0.00 0.23 0.47 -0.62 -1.32 0.00 0.00 176.35 175.12 1n5p s ASP 61 N -1.86 5.91 -0.74 3.68 2.15 0.73 -4.95 116.67 121.59 1n5p s ASP 61 Ca 0.22 -0.23 -0.05 0.00 0.43 0.00 0.00 52.55 52.92 1n5p s ASP 61 Cb -0.11 -1.16 0.19 0.00 -0.30 0.00 0.00 42.92 41.54 1n5p s ASP 61 CO 0.13 -0.46 0.60 -1.58 -0.17 0.00 0.00 175.17 173.69 1n5p s GLN 62 N -4.18 2.97 0.93 4.34 0.74 -1.26 -4.68 119.66 118.50 1n5p s GLN 62 Ca 0.46 -2.74 -0.12 0.00 0.05 0.00 0.00 55.36 53.01 1n5p s GLN 62 Cb -0.09 -3.93 0.15 0.00 1.10 0.00 0.00 33.01 30.24 1n5p s GLN 62 CO 0.31 -1.22 1.13 -1.25 -0.55 0.00 0.00 175.29 173.71 1n5p s PRO 63 N -0.40 1.02 0.43 1.67 0.04 -1.26 -5.02 135.00 131.48 1n5p s PRO 63 Ca 0.20 0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.37 1n5p s PRO 63 Cb -0.15 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1n5p s PRO 63 CO -0.07 -2.29 1.11 -1.25 0.04 0.00 0.00 177.00 174.54 1n5p s PRO 64 N -5.20 3.97 -0.86 0.56 0.04 -1.26 -4.10 135.00 128.15 1n5p s PRO 64 Ca 0.64 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 1n5p s PRO 64 Cb -0.16 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1n5p s PRO 64 CO 0.54 -0.34 0.72 1.63 0.04 0.00 0.00 177.00 179.60 1n5p n LYS 65 N -0.28 -1.47 0.00 4.56 4.76 -1.26 -4.58 118.16 119.90 1n5p n LYS 65 Ca 0.06 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.62 1n5p n LYS 65 Cb 0.49 -4.86 0.00 0.00 -1.84 0.00 0.00 35.03 28.82 1n5p n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n5p n ALA 66 N -2.48 0.00 -1.46 7.82 0.00 -1.26 -4.57 120.51 118.56 1n5p n ALA 66 Ca -0.09 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1n5p n ALA 66 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1n5p n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n5p n ASP 67 N -1.95 7.33 -3.63 0.00 8.00 -1.26 -4.78 116.55 120.26 1n5p n ASP 67 Ca 0.00 -2.67 -0.10 0.00 0.71 0.00 0.00 54.79 52.74 1n5p n ASP 67 Cb 0.00 -1.58 -0.07 0.00 -0.02 0.00 0.00 41.12 39.45 1n5p n ASP 67 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1n5p s GLU 68 N 2.37 0.54 -0.36 -1.24 -6.30 -1.26 -5.06 118.70 107.38 1n5p s GLU 68 Ca 0.63 0.53 -0.07 0.00 -2.50 0.00 0.00 54.97 53.55 1n5p s GLU 68 Cb 0.17 0.26 0.01 0.00 0.00 0.00 0.00 34.13 34.57 1n5p s GLU 68 CO -0.07 -0.09 0.27 -0.25 0.02 0.00 0.00 175.26 175.14 1n5p n ASP 69 N 1.96 -8.02 0.02 -1.70 8.00 -1.26 -4.96 116.55 110.59 1n5p n ASP 69 Ca -0.12 1.04 -0.12 0.00 0.71 0.00 0.00 54.79 56.30 1n5p n ASP 69 Cb 0.56 -5.38 -0.09 0.00 -0.02 0.00 0.00 41.12 36.19 1n5p n ASP 69 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1n5p h PRO 70 N 2.59 -0.13 -0.96 -0.24 0.13 -1.96 -3.29 132.00 128.14 1n5p h PRO 70 Ca -0.00 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.25 1n5p h PRO 70 Cb 0.45 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.53 1n5p h PRO 70 CO 0.14 0.38 0.60 0.78 -0.23 0.00 0.00 178.00 179.67 1n5p h GLY 71 N -0.74 1.55 -1.76 1.56 0.00 -1.95 0.21 103.07 101.95 1n5p h GLY 71 Ca -0.01 -0.41 -0.51 0.00 0.00 0.00 0.00 47.33 46.40 1n5p h GLY 71 CO 0.02 0.17 0.39 -1.59 0.00 0.00 0.00 176.54 175.53 1n5p s THR 72 N -5.98 3.00 0.22 4.70 2.01 -1.24 -4.68 115.64 113.66 1n5p s THR 72 Ca -0.12 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1n5p s THR 72 Cb 0.21 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.61 1n5p s THR 72 CO 0.80 -0.27 1.26 -2.16 -0.69 0.00 0.00 174.62 173.57 1n5p s PRO 73 N -3.95 4.43 -0.23 4.92 0.04 -1.26 -3.86 135.00 135.08 1n5p s PRO 73 Ca 0.69 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 63.65 1n5p s PRO 73 Cb -0.23 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1n5p s PRO 73 CO 0.41 -0.16 0.13 0.21 0.04 0.00 0.00 177.00 177.63 1n5p s LYS 74 N -0.46 3.97 -0.41 4.56 2.47 0.22 -4.66 119.74 125.42 1n5p s LYS 74 Ca 0.54 -0.32 -0.28 0.00 -1.56 0.00 0.00 55.97 54.34 1n5p s LYS 74 Cb -0.35 -3.46 -0.02 0.00 -1.46 0.00 0.00 37.83 32.54 1n5p s LYS 74 CO 0.40 0.03 1.80 -1.25 0.16 0.00 0.00 175.35 176.49 1n5p s PRO 75 N 1.09 3.14 0.27 4.03 0.04 -1.26 -1.03 135.00 141.28 1n5p s PRO 75 Ca 0.06 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.33 1n5p s PRO 75 Cb -0.14 -4.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 1n5p s PRO 75 CO 0.04 -2.09 0.41 0.08 0.04 0.00 0.00 177.00 175.48 1n5p s VAL 76 N 7.46 5.22 -0.25 -0.36 1.01 0.21 -4.57 120.40 129.12 1n5p s VAL 76 Ca 0.76 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1n5p s VAL 76 Cb -0.19 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.40 1n5p s VAL 76 CO 0.30 -0.38 0.64 -0.44 0.00 0.00 0.00 175.10 175.22 1n5p s SER 77 N -3.97 -0.79 0.11 3.32 0.01 -1.26 -2.14 113.70 108.98 1n5p s SER 77 Ca 0.36 1.37 -0.26 0.00 1.31 0.00 0.00 55.95 58.72 1n5p s SER 77 Cb -0.09 1.30 0.07 0.00 0.21 0.00 0.00 66.02 67.51 1n5p s SER 77 CO 0.31 -0.23 0.91 0.72 0.41 0.00 0.00 173.24 175.36 1n5p s PHE 78 N 1.07 -0.22 -0.11 2.43 -0.12 -1.21 -0.19 117.98 119.63 1n5p s PHE 78 Ca -0.06 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1n5p s PHE 78 Cb -0.05 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1n5p s PHE 78 CO -0.10 -0.76 -0.13 0.95 -0.05 0.00 0.00 175.22 175.13 1n5p s THR 79 N -3.28 3.11 0.05 -4.49 -4.23 0.75 -2.13 115.64 105.42 1n5p s THR 79 Ca 0.09 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 60.03 1n5p s THR 79 Cb -0.01 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 1n5p s THR 79 CO -0.02 0.54 -0.24 0.68 -0.54 0.00 0.00 174.62 175.04 1n5p s VAL 80 N 0.10 1.93 0.16 2.29 -7.23 0.09 0.63 120.40 118.37 1n5p s VAL 80 Ca -0.06 -1.31 0.07 0.00 -1.81 0.00 0.00 61.98 58.88 1n5p s VAL 80 Cb -0.15 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1n5p s VAL 80 CO 0.04 0.29 -0.16 -1.59 -0.31 0.00 0.00 175.10 173.38 1n5p s LYS 81 N -1.22 1.19 0.50 4.82 -2.85 -1.04 -0.90 119.74 120.24 1n5p s LYS 81 Ca 0.10 -1.38 -0.21 0.00 -1.00 0.00 0.00 55.97 53.48 1n5p s LYS 81 Cb -0.09 -1.13 -0.09 0.00 -2.06 0.00 0.00 37.83 34.46 1n5p s LYS 81 CO 0.02 0.22 0.82 -1.91 0.10 0.00 0.00 175.35 174.59 1n5p n GLU 82 N 0.25 0.93 -4.62 1.78 2.13 -0.88 -2.96 120.64 117.26 1n5p n GLU 82 Ca -0.13 0.34 -0.28 0.00 0.66 0.00 0.00 57.16 57.75 1n5p n GLU 82 Cb 0.58 -1.91 -0.10 0.00 0.27 0.00 0.00 31.44 30.28 1n5p n GLU 82 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1n5p s THR 83 N -1.46 1.51 -0.06 6.31 -4.23 -0.58 -1.67 115.64 115.45 1n5p s THR 83 Ca 0.67 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1n5p s THR 83 Cb -0.50 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.59 1n5p s THR 83 CO 0.54 0.00 2.60 1.33 -0.54 0.00 0.00 174.62 178.55 1n5p n VAL 84 N -0.99 2.50 -3.83 2.29 0.24 -1.26 -4.60 118.33 112.68 1n5p n VAL 84 Ca -0.08 -1.12 -0.12 0.00 -2.04 0.00 0.00 64.34 60.98 1n5p n VAL 84 Cb 0.67 -1.66 -0.10 0.00 -1.47 0.00 0.00 33.84 31.29 1n5p n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n5p s PRO 86 N -1.28 4.73 0.17 0.00 0.04 -1.26 -0.87 135.00 136.53 1n5p s PRO 86 Ca -0.14 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1n5p s PRO 86 Cb -0.06 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.32 1n5p s PRO 86 CO 0.02 0.32 1.63 0.00 0.04 0.00 0.00 177.00 179.02 1n5p h ARG 87 N 4.24 -0.14 -4.13 4.56 2.47 -1.77 -3.14 114.38 116.48 1n5p h ARG 87 Ca -0.45 0.01 -0.59 0.00 -1.26 0.00 0.00 59.98 57.69 1n5p h ARG 87 Cb 1.21 0.03 0.03 0.00 -1.65 0.00 0.00 29.97 29.59 1n5p h ARG 87 CO 0.68 -0.10 2.50 -0.35 0.56 0.00 0.00 179.97 183.27 1n5p n PRO 88 N -5.38 1.84 0.00 0.04 -0.04 -1.26 -4.25 135.00 125.95 1n5p n PRO 88 Ca 0.02 -1.83 0.02 0.00 -0.04 0.00 0.00 63.50 61.67 1n5p n PRO 88 Cb 0.29 -2.83 -0.01 0.00 -0.04 0.00 0.00 33.50 30.91 1n5p n PRO 88 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1n5p n THR 89 N 5.39 0.00 -2.63 0.52 5.66 -1.19 -4.99 114.28 117.04 1n5p n THR 89 Ca 0.49 -0.44 -0.18 0.00 -3.05 0.00 0.00 64.05 60.87 1n5p n THR 89 Cb 0.33 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 1n5p n THR 89 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1n5p n ARG 90 N -0.60 -2.65 -4.06 1.09 5.12 -1.26 -4.95 116.66 109.35 1n5p n ARG 90 Ca 0.01 0.79 -0.08 0.00 -1.93 0.00 0.00 57.85 56.65 1n5p n ARG 90 Cb 0.08 -5.48 -0.10 0.00 -1.16 0.00 0.00 32.46 25.80 1n5p n ARG 90 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1n5p s GLN 91 N -5.27 0.54 0.73 5.56 0.74 -1.26 -5.15 119.66 115.55 1n5p s GLN 91 Ca 0.10 -1.07 -0.13 0.00 0.05 0.00 0.00 55.36 54.32 1n5p s GLN 91 Cb -0.05 0.19 0.04 0.00 1.10 0.00 0.00 33.01 34.28 1n5p s GLN 91 CO 0.12 -0.10 1.11 -1.25 -0.55 0.00 0.00 175.29 174.62 1n5p s PRO 92 N -3.31 2.42 0.20 1.67 0.04 -1.26 -4.94 135.00 129.82 1n5p s PRO 92 Ca 0.01 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.39 1n5p s PRO 92 Cb 0.04 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 32.78 1n5p s PRO 92 CO -0.08 -1.53 1.46 -1.00 0.04 0.00 0.00 177.00 175.89 1n5p h PRO 93 N -0.62 0.25 0.00 0.56 0.13 -1.93 -2.97 132.00 127.41 1n5p h PRO 93 Ca -0.45 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.44 1n5p h PRO 93 Cb 1.24 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1n5p h PRO 93 CO 0.52 0.88 -0.11 1.05 -0.23 0.00 0.00 178.00 180.11 1n5p h GLU 94 N 0.16 0.00 0.00 0.86 4.11 -1.94 -1.22 114.58 116.56 1n5p h GLU 94 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1n5p h GLU 94 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1n5p h GLU 94 CO 0.12 0.11 -0.07 1.25 0.07 0.00 0.00 179.01 180.48 1n5p h LEU 95 N 0.00 0.00-10.56 3.06 6.46 -1.90 -3.44 115.31 108.93 1n5p h LEU 95 Ca -0.00 0.00 -0.50 0.00 -0.12 0.00 0.00 57.88 57.26 1n5p h LEU 95 Cb 0.25 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1n5p h LEU 95 CO 0.01 0.07 -0.16 0.00 -0.62 0.00 0.00 178.44 177.74 1n5p n ASP 97 N -2.10 0.00 -3.79 0.00 2.03 -1.26 -4.96 116.55 106.46 1n5p n ASP 97 Ca 0.12 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.30 1n5p n ASP 97 Cb 0.62 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.89 1n5p n ASP 97 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1n5p s PHE 98 N 1.50 -0.18 -0.60 -0.67 0.08 -1.26 -4.18 117.98 112.67 1n5p s PHE 98 Ca 0.00 0.46 -0.14 0.00 0.12 0.00 0.00 56.93 57.36 1n5p s PHE 98 Cb 0.00 0.01 0.15 0.00 -0.57 0.00 0.00 43.02 42.61 1n5p s PHE 98 CO 0.00 -0.12 0.54 0.15 -0.10 0.00 0.00 175.22 175.69 1n5p s LYS 99 N 0.53 3.05 0.55 0.44 1.02 -0.67 -4.71 119.74 119.95 1n5p s LYS 99 Ca -0.04 -1.90 0.28 0.00 0.02 0.00 0.00 55.97 54.33 1n5p s LYS 99 Cb -0.05 -4.27 1.46 0.00 -0.52 0.00 0.00 37.83 34.45 1n5p s LYS 99 CO -0.03 -1.30 1.95 1.49 -0.92 0.00 0.00 175.35 176.54 1n5p h GLU 100 N 8.55 0.00 0.00 1.68 4.57 -2.00 0.55 114.58 127.93 1n5p h GLU 100 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1n5p h GLU 100 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1n5p h GLU 100 CO 0.95 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.87 1n5p n ASN 101 N -4.13 0.00 -4.40 1.04 4.13 -1.26 -4.81 115.26 105.82 1n5p n ASN 101 Ca 0.11 0.33 -0.29 0.00 1.68 0.00 0.00 54.58 56.41 1n5p n ASN 101 Cb 0.70 -0.43 0.17 0.00 -1.54 0.00 0.00 39.78 38.67 1n5p n ASN 101 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1n5p s GLY 102 N -2.87 1.64 0.51 7.41 0.00 0.19 -5.06 107.32 109.15 1n5p s GLY 102 Ca 0.14 -0.84 -0.02 0.00 0.00 0.00 0.00 44.72 44.01 1n5p s GLY 102 CO 0.40 -0.16 0.76 1.09 0.00 0.00 0.00 173.10 175.18 1n5p s ARG 103 N -5.54 2.96 -0.17 2.90 1.70 -1.26 -4.75 118.95 114.79 1n5p s ARG 103 Ca 0.68 -0.36 -0.00 0.00 -0.47 0.00 0.00 55.73 55.57 1n5p s ARG 103 Cb -0.10 -2.46 0.04 0.00 -0.57 0.00 0.00 34.95 31.87 1n5p s ARG 103 CO 0.53 -0.46 -0.06 0.08 -1.08 0.00 0.00 175.30 174.32 1n5p s VAL 104 N -2.72 1.18 0.47 4.99 1.01 -1.26 -2.07 120.40 122.00 1n5p s VAL 104 Ca 0.51 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1n5p s VAL 104 Cb -0.10 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1n5p s VAL 104 CO 0.40 0.12 0.41 -1.59 0.00 0.00 0.00 175.10 174.44 1n5p s LYS 105 N 1.60 2.40 -0.31 2.72 -2.85 -0.07 -4.52 119.74 118.70 1n5p s LYS 105 Ca 0.00 -1.72 0.01 0.00 -1.00 0.00 0.00 55.97 53.26 1n5p s LYS 105 Cb -0.16 -2.28 0.09 0.00 -2.06 0.00 0.00 37.83 33.43 1n5p s LYS 105 CO -0.08 -0.38 0.07 -1.14 0.10 0.00 0.00 175.35 173.92 1n5p s GLN 106 N -4.21 1.03 -0.24 1.78 2.00 -1.26 -0.73 119.66 118.04 1n5p s GLN 106 Ca 0.44 -1.29 -0.13 0.00 -2.00 0.00 0.00 55.36 52.38 1n5p s GLN 106 Cb -0.03 -2.42 -0.04 0.00 0.80 0.00 0.00 33.01 31.32 1n5p s GLN 106 CO 0.26 -0.92 0.29 0.00 -0.50 0.00 0.00 175.29 174.42 1n5p s VAL 108 N 1.46 2.00 0.13 0.00 -7.23 0.32 -3.31 120.40 113.77 1n5p s VAL 108 Ca 0.13 -1.31 -0.25 0.00 -1.81 0.00 0.00 61.98 58.74 1n5p s VAL 108 Cb -0.15 -1.71 0.07 0.00 0.56 0.00 0.00 36.38 35.15 1n5p s VAL 108 CO 0.08 0.34 0.78 -0.83 -0.31 0.00 0.00 175.10 175.15 1n5p s GLY 109 N -1.16 -0.40 -0.12 2.32 0.00 -0.91 0.05 107.32 107.10 1n5p s GLY 109 Ca 0.10 0.43 -0.02 0.00 0.00 0.00 0.00 44.72 45.23 1n5p s GLY 109 CO 0.02 0.14 -0.02 -0.51 0.00 0.00 0.00 173.10 172.72 1n5p s THR 110 N -3.51 4.09 -0.07 0.90 -4.23 -1.23 0.65 115.64 112.23 1n5p s THR 110 Ca 0.06 -0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.16 1n5p s THR 110 Cb -0.02 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1n5p s THR 110 CO -0.05 0.55 0.25 0.68 -0.54 0.00 0.00 174.62 175.51 1n5p s VAL 111 N -0.32 0.02 0.76 2.29 -7.23 -0.20 -4.73 120.40 111.00 1n5p s VAL 111 Ca 0.06 -0.16 -0.15 0.00 -1.81 0.00 0.00 61.98 59.92 1n5p s VAL 111 Cb -0.12 -0.42 0.05 0.00 0.56 0.00 0.00 36.38 36.45 1n5p s VAL 111 CO 0.02 -0.09 1.18 1.07 -0.31 0.00 0.00 175.10 176.98 1n5p n THR 112 N 2.50 2.78 0.05 5.32 5.66 -1.26 0.68 114.28 130.02 1n5p n THR 112 Ca -0.15 -0.29 0.07 0.00 -3.05 0.00 0.00 64.05 60.63 1n5p n THR 112 Cb 0.58 -1.24 -0.07 0.00 -1.55 0.00 0.00 70.33 68.04 1n5p n THR 112 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1n5p n LEU 113 N -2.72 0.63 0.02 1.09 7.94 0.06 -4.73 117.00 119.28 1n5p n LEU 113 Ca 0.14 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 1n5p n LEU 113 Cb 0.50 0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1n5p n LEU 113 CO 0.48 -0.03 -0.29 0.47 -1.11 0.00 0.00 177.39 176.92 1n5p n ASP 114 N -2.65 0.48 -4.57 1.96 9.92 -1.21 -4.59 116.55 115.89 1n5p n ASP 114 Ca -0.05 0.06 -0.39 0.00 -0.53 0.00 0.00 54.79 53.88 1n5p n ASP 114 Cb 0.66 -0.15 0.03 0.00 -0.64 0.00 0.00 41.12 41.03 1n5p n ASP 114 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n5p n GLN 115 N -3.21 0.96 0.00 -1.24 1.13 -1.26 -5.01 117.38 108.75 1n5p n GLN 115 Ca 0.00 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.42 1n5p n GLN 115 Cb 0.29 -1.98 0.00 0.00 0.11 0.00 0.00 30.24 28.66 1n5p n GLN 115 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1n5p n ILE 116 N -1.21 0.00 -2.64 5.09 -0.00 -1.26 -4.79 119.36 114.54 1n5p n ILE 116 Ca 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.82 1n5p n ILE 116 Cb 0.44 -1.26 -0.04 0.00 -0.00 0.00 0.00 39.64 38.78 1n5p n ILE 116 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1n5p n LYS 117 N 0.00 -4.32 -3.97 0.38 4.81 -1.26 -5.00 118.16 108.80 1n5p n LYS 117 Ca 0.00 3.29 -0.31 0.00 -0.87 0.00 0.00 58.31 60.43 1n5p n LYS 117 Cb 0.00 -5.09 -0.16 0.00 0.02 0.00 0.00 35.03 29.80 1n5p n LYS 117 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1n5p s ASP 118 N -0.89 3.81 0.81 3.14 1.47 -1.26 -4.97 116.67 118.79 1n5p s ASP 118 Ca -0.22 -1.14 -0.11 0.00 1.18 0.00 0.00 52.55 52.26 1n5p s ASP 118 Cb 0.01 -1.23 0.08 0.00 -0.34 0.00 0.00 42.92 41.44 1n5p s ASP 118 CO 0.78 -0.21 1.09 -2.16 0.68 0.00 0.00 175.17 175.36 1n5p s PRO 119 N 1.36 1.94 -0.89 2.11 0.04 -1.26 -4.95 135.00 133.36 1n5p s PRO 119 Ca -0.05 0.74 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 1n5p s PRO 119 Cb -0.18 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1n5p s PRO 119 CO -0.06 -1.75 1.30 -1.17 0.04 0.00 0.00 177.00 175.37 1n5p s LEU 120 N -5.88 3.70 -0.53 -3.56 2.96 -1.26 -4.87 118.68 109.25 1n5p s LEU 120 Ca 0.61 -1.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.41 1n5p s LEU 120 Cb -0.15 -2.53 0.27 0.00 0.50 0.00 0.00 46.19 44.27 1n5p s LEU 120 CO 0.55 -1.54 0.69 0.47 -1.32 0.00 0.00 176.35 175.20 1n5p n ASP 121 N 8.59 2.35 -4.16 3.68 8.00 -1.26 -5.08 116.55 128.67 1n5p n ASP 121 Ca 0.19 -3.17 -0.11 0.00 0.71 0.00 0.00 54.79 52.41 1n5p n ASP 121 Cb 0.50 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 1n5p n ASP 121 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1n5p s ILE 122 N -2.22 0.70 -0.01 0.53 -5.25 -1.26 -3.54 121.20 110.15 1n5p s ILE 122 Ca 0.39 -1.85 0.00 0.00 -0.99 0.00 0.00 60.65 58.20 1n5p s ILE 122 Cb 0.18 -1.58 0.02 0.00 2.95 0.00 0.00 42.46 44.03 1n5p s ILE 122 CO -0.06 -0.81 0.00 -0.89 -1.79 0.00 0.00 174.94 171.39 1n5p s THR 123 N -3.37 0.06 -0.03 8.37 2.01 0.11 -4.91 115.64 117.88 1n5p s THR 123 Ca 0.10 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 1n5p s THR 123 Cb 0.04 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 1n5p s THR 123 CO -0.04 0.07 0.16 0.00 -0.69 0.00 0.00 174.62 174.12 1n5p n ASN 125 N 1.17 1.34 -0.51 0.00 2.85 0.54 -4.77 115.26 115.89 1n5p n ASN 125 Ca -0.13 -2.90 -0.00 0.00 -0.11 0.00 0.00 54.58 51.44 1n5p n ASN 125 Cb 0.53 -0.40 -0.00 0.00 1.24 0.00 0.00 39.78 41.15 1n5p n ASN 125 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1n5p n GLU 126 N -0.45 0.00 -2.18 1.20 1.02 -1.26 -4.71 120.64 114.26 1n5p n GLU 126 Ca 0.12 -0.52 -0.41 0.00 -0.02 0.00 0.00 57.16 56.32 1n5p n GLU 126 Cb 0.85 -0.25 -0.03 0.00 -0.02 0.00 0.00 31.44 31.99 1n5p n GLU 126 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n5p s VAL 127 N 0.00 3.14 -0.52 2.62 1.01 -1.26 -3.31 120.40 122.08 1n5p s VAL 127 Ca 0.00 0.93 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1n5p s VAL 127 Cb 0.00 -3.59 0.26 0.00 0.00 0.00 0.00 36.38 33.05 1n5p s VAL 127 CO -0.00 0.13 0.68 0.00 0.00 0.00 0.00 175.10 175.91 1n5p n GLN 128 N 2.69 1.81 0.00 2.72 1.13 -1.26 -4.90 117.38 119.56 1n5p n GLN 128 Ca 0.07 -4.06 0.00 0.00 -1.94 0.00 0.00 57.00 51.06 1n5p n GLN 128 Cb 0.42 -1.83 0.00 0.00 0.11 0.00 0.00 30.24 28.95 1n5p n GLN 128 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1n5p n GLY 129 N 0.92 -1.76 3.51 1.08 0.00 -1.26 -4.83 105.19 102.85 1n5p n GLY 129 Ca 0.26 0.77 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1n5p n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70