#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.72 -6.27 7.83 0.87 -2.13 -3.48 113.55 111.08 2kb4 h SER 2 Ca 0.00 -0.61 -0.39 0.00 -1.23 0.00 0.00 61.79 59.57 2kb4 h SER 2 Cb 0.00 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2kb4 h SER 2 CO 0.00 1.41 -1.06 -0.90 -0.53 0.00 0.00 176.83 175.76 2kb4 n ASP 3 N -3.77 -4.63 -4.55 6.23 5.75 -1.26 -4.80 116.55 109.51 2kb4 n ASP 3 Ca -0.10 -0.43 -0.38 0.00 -0.01 0.00 0.00 54.79 53.88 2kb4 n ASP 3 Cb 0.90 -1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.54 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2kb4 s ASN 4 N -1.89 5.91 -0.14 -1.12 3.84 -1.26 -4.96 114.94 115.33 2kb4 s ASN 4 Ca 0.22 -0.64 -0.07 0.00 0.21 0.00 0.00 52.86 52.58 2kb4 s ASN 4 Cb -0.02 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 2kb4 s ASN 4 CO 0.79 -2.00 0.10 0.54 -2.79 0.00 0.00 177.10 173.74 2kb4 s ASN 5 N 5.71 6.01 0.00 -4.21 4.22 -1.26 -5.05 114.94 120.35 2kb4 s ASN 5 Ca 0.51 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 51.53 2kb4 s ASN 5 Cb -0.06 -1.95 0.00 0.00 1.28 0.00 0.00 41.25 40.52 2kb4 s ASN 5 CO 0.06 0.32 0.00 0.61 -2.04 0.00 0.00 177.10 176.05 2kb4 n GLY 6 N 2.56 3.83 3.63 0.45 0.00 -1.26 -5.13 105.19 109.27 2kb4 n GLY 6 Ca -0.18 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 7 N -0.81 4.49 0.18 2.61 -1.32 -1.26 -5.08 115.64 114.45 2kb4 s THR 7 Ca 0.00 -0.15 -0.31 0.00 -1.21 0.00 0.00 61.69 60.02 2kb4 s THR 7 Cb 0.00 -2.97 -0.09 0.00 -1.51 0.00 0.00 72.50 67.92 2kb4 s THR 7 CO 0.00 0.51 1.44 -2.84 -2.21 0.00 0.00 174.62 171.52 2kb4 s PRO 8 N -0.02 4.29 0.35 7.08 0.02 -1.26 -5.01 135.00 140.45 2kb4 s PRO 8 Ca 0.04 2.21 -0.23 0.00 0.02 0.00 0.00 61.00 63.04 2kb4 s PRO 8 Cb -0.13 -3.17 -0.10 0.00 0.02 0.00 0.00 34.50 31.12 2kb4 s PRO 8 CO 0.02 -0.44 0.91 -1.83 -0.33 0.00 0.00 177.00 175.33 2kb4 s GLU 9 N 0.46 4.41 0.35 5.54 -1.05 -1.26 -5.01 118.70 122.13 2kb4 s GLU 9 Ca 0.63 1.18 -0.29 0.00 -0.15 0.00 0.00 54.97 56.35 2kb4 s GLU 9 Cb -0.40 -2.59 -0.11 0.00 -0.44 0.00 0.00 34.13 30.59 2kb4 s GLU 9 CO 0.36 0.19 1.46 -2.14 0.95 0.00 0.00 175.26 176.08 2kb4 s PRO 10 N -2.45 4.17 0.11 -4.83 0.02 -1.26 -4.98 135.00 125.78 2kb4 s PRO 10 Ca 0.53 2.49 -0.25 0.00 0.02 0.00 0.00 61.00 63.79 2kb4 s PRO 10 Cb -0.15 -3.00 -0.07 0.00 0.02 0.00 0.00 34.50 31.30 2kb4 s PRO 10 CO 0.20 -0.47 0.77 -1.14 -0.33 0.00 0.00 177.00 176.02 2kb4 s GLN 11 N -1.73 4.52 -1.09 5.54 0.74 -1.26 -4.96 119.66 121.43 2kb4 s GLN 11 Ca 0.54 1.10 -0.22 0.00 0.05 0.00 0.00 55.36 56.83 2kb4 s GLN 11 Cb -0.45 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 2kb4 s GLN 11 CO 0.58 0.44 1.78 0.14 -0.55 0.00 0.00 175.29 177.68 2kb4 s VAL 12 N -0.63 3.73 -0.03 1.34 -7.23 -1.26 -4.94 120.40 111.39 2kb4 s VAL 12 Ca 0.37 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 2kb4 s VAL 12 Cb -0.22 -4.66 -0.05 0.00 0.56 0.00 0.00 36.38 32.00 2kb4 s VAL 12 CO 0.25 -1.43 0.43 -0.70 -0.31 0.00 0.00 175.10 173.33 2kb4 s GLU 13 N 5.78 4.04 0.08 4.82 2.12 -1.26 -5.04 118.70 129.24 2kb4 s GLU 13 Ca 0.60 0.43 -0.31 0.00 0.36 0.00 0.00 54.97 56.05 2kb4 s GLU 13 Cb -0.01 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 2kb4 s GLU 13 CO 0.02 0.56 1.26 0.95 -0.54 0.00 0.00 175.26 177.52 2kb4 s THR 14 N -0.67 3.78 -1.18 -1.70 -4.23 -1.26 -4.87 115.64 105.51 2kb4 s THR 14 Ca 0.24 1.29 0.26 0.00 -1.18 0.00 0.00 61.69 62.30 2kb4 s THR 14 Cb -0.16 -3.82 0.32 0.00 1.34 0.00 0.00 72.50 70.17 2kb4 s THR 14 CO 0.13 0.10 1.86 1.07 -0.54 0.00 0.00 174.62 177.24 2kb4 n THR 15 N 3.88 0.19 -2.39 3.99 5.66 -1.26 -4.51 114.28 119.83 2kb4 n THR 15 Ca 0.10 0.05 -0.40 0.00 -3.05 0.00 0.00 64.05 60.74 2kb4 n THR 15 Cb 0.45 -0.60 -0.03 0.00 -1.55 0.00 0.00 70.33 68.60 2kb4 n THR 15 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kb4 s SER 16 N -2.82 5.89 -0.95 1.09 0.01 -1.26 -4.93 113.70 110.73 2kb4 s SER 16 Ca 0.18 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 57.02 2kb4 s SER 16 Cb 0.17 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.92 2kb4 s SER 16 CO 0.44 -2.00 1.35 0.68 0.41 0.00 0.00 173.24 174.13 2kb4 s VAL 17 N 6.77 4.05 -0.31 3.43 -7.23 -1.26 -4.96 120.40 120.89 2kb4 s VAL 17 Ca 0.45 -0.74 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 2kb4 s VAL 17 Cb -0.09 -4.98 0.01 0.00 0.56 0.00 0.00 36.38 31.88 2kb4 s VAL 17 CO 0.17 -1.84 0.94 0.12 -0.31 0.00 0.00 175.10 174.19 2kb4 s PHE 18 N 4.65 3.18 -0.40 2.82 5.36 -1.26 -4.94 117.98 127.39 2kb4 s PHE 18 Ca 0.41 1.02 -0.27 0.00 -0.96 0.00 0.00 56.93 57.14 2kb4 s PHE 18 Cb -0.02 -3.46 -0.07 0.00 -0.34 0.00 0.00 43.02 39.12 2kb4 s PHE 18 CO -0.06 -0.67 2.35 0.54 -1.46 0.00 0.00 175.22 175.92 2kb4 n ARG 19 N 6.55 1.35 -3.34 10.12 1.74 -1.26 -4.84 116.66 126.97 2kb4 n ARG 19 Ca 0.08 0.19 -0.26 0.00 -0.77 0.00 0.00 57.85 57.10 2kb4 n ARG 19 Cb 0.47 -3.31 -0.08 0.00 -1.02 0.00 0.00 32.46 28.53 2kb4 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kb4 n ALA 20 N 14.15 3.58 -0.22 7.54 0.00 -1.26 -1.10 120.51 143.19 2kb4 n ALA 20 Ca 0.35 -4.35 -0.07 0.00 0.00 0.00 0.00 53.44 49.36 2kb4 n ALA 20 Cb 0.49 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 19.10 2kb4 n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kb4 h ASP 21 N 4.10 0.90 -5.37 0.00 3.58 -1.69 -3.46 116.42 114.48 2kb4 h ASP 21 Ca 0.16 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kb4 h ASP 21 Cb 0.73 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 2kb4 h ASP 21 CO 0.72 0.85 -1.11 -0.11 -2.88 0.00 0.00 179.24 176.71 2kb4 n LEU 22 N -4.39 -6.32 -4.71 2.28 7.94 -1.16 -4.93 117.00 105.71 2kb4 n LEU 22 Ca 0.04 1.61 -0.41 0.00 -1.11 0.00 0.00 56.01 56.13 2kb4 n LEU 22 Cb 0.20 -2.88 -0.03 0.00 0.53 0.00 0.00 43.42 41.23 2kb4 n LEU 22 CO 0.40 -3.30 0.61 -1.48 -1.11 0.00 0.00 177.39 172.51 2kb4 s LEU 23 N -0.96 4.33 -0.59 -1.96 0.05 -1.26 -4.95 118.68 113.33 2kb4 s LEU 23 Ca -0.12 1.49 0.06 0.00 0.05 0.00 0.00 54.13 55.61 2kb4 s LEU 23 Cb 0.01 -3.42 0.31 0.00 -2.05 0.00 0.00 46.19 41.04 2kb4 s LEU 23 CO 0.59 -0.25 0.87 2.29 -0.55 0.00 0.00 176.35 179.30 2kb4 n LYS 24 N 4.09 2.90 -2.44 1.48 0.00 -1.26 -5.04 118.16 117.89 2kb4 n LYS 24 Ca 0.04 -4.73 -0.43 0.00 -0.00 0.00 0.00 58.31 53.20 2kb4 n LYS 24 Cb 0.51 -2.21 -0.02 0.00 -0.00 0.00 0.00 35.03 33.30 2kb4 n LYS 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2kb4 s GLU 25 N -3.08 4.18 0.17 -1.58 2.56 -1.26 -4.97 118.70 114.71 2kb4 s GLU 25 Ca 0.46 1.57 -0.31 0.00 0.00 0.00 0.00 54.97 56.68 2kb4 s GLU 25 Cb 0.24 -3.78 -0.09 0.00 2.00 0.00 0.00 34.13 32.50 2kb4 s GLU 25 CO -0.09 -0.77 1.46 1.41 -0.56 0.00 0.00 175.26 176.70 2kb4 s MET 26 N 3.60 4.27 -0.91 4.30 -2.45 -1.26 -4.82 119.30 122.03 2kb4 s MET 26 Ca 0.54 2.23 -0.23 0.00 -1.25 0.00 0.00 55.69 56.98 2kb4 s MET 26 Cb -0.20 -3.18 -0.23 0.00 1.25 0.00 0.00 34.83 32.48 2kb4 s MET 26 CO 0.15 -0.48 2.47 0.39 1.05 0.00 0.00 175.02 178.60 2kb4 n GLU 27 N 3.47 0.20 -3.28 4.11 4.71 -1.26 -4.82 120.64 123.77 2kb4 n GLU 27 Ca 0.11 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.16 56.91 2kb4 n GLU 27 Cb 0.40 -1.84 -0.07 0.00 -1.01 0.00 0.00 31.44 28.93 2kb4 n GLU 27 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2kb4 n SER 28 N 10.57 3.51 -3.84 1.62 7.64 -1.26 -5.03 113.62 126.83 2kb4 n SER 28 Ca 0.61 -3.42 -0.12 0.00 1.01 0.00 0.00 58.87 56.95 2kb4 n SER 28 Cb 0.18 -0.64 -0.12 0.00 -1.01 0.00 0.00 64.21 62.62 2kb4 n SER 28 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kb4 s SER 29 N -2.59 -0.11 -0.07 6.43 0.15 -1.26 -5.00 113.70 111.25 2kb4 s SER 29 Ca 0.42 0.18 0.10 0.00 0.70 0.00 0.00 55.95 57.34 2kb4 s SER 29 Cb 0.19 0.27 0.15 0.00 -1.71 0.00 0.00 66.02 64.92 2kb4 s SER 29 CO -0.05 -0.11 1.04 0.41 1.20 0.00 0.00 173.24 175.72 2kb4 n THR 30 N 2.68 1.22 -2.47 6.45 -1.04 -1.26 -4.99 114.28 114.87 2kb4 n THR 30 Ca -0.15 -1.41 -0.07 0.00 -2.04 0.00 0.00 64.05 60.38 2kb4 n THR 30 Cb 0.58 0.16 0.04 0.00 -1.82 0.00 0.00 70.33 69.29 2kb4 n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb4 n GLY 31 N -0.86 0.07 3.89 3.41 0.00 -1.26 -5.04 105.19 105.40 2kb4 n GLY 31 Ca 0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2kb4 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 32 N -3.16 4.93 -0.34 2.61 -4.23 -1.26 -5.02 115.64 109.18 2kb4 s THR 32 Ca 0.07 0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.60 2kb4 s THR 32 Cb -0.01 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.12 2kb4 s THR 32 CO 0.31 -0.34 1.41 0.00 -0.54 0.00 0.00 174.62 175.47 2kb4 s ALA 33 N -2.13 3.20 -0.51 3.99 0.00 -1.26 -4.96 121.76 120.09 2kb4 s ALA 33 Ca 0.47 0.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.20 2kb4 s ALA 33 Cb -0.11 -3.87 0.03 0.00 0.00 0.00 0.00 23.12 19.18 2kb4 s ALA 33 CO 0.29 -2.09 1.13 -1.25 0.00 0.00 0.00 175.76 173.83 2kb4 s PRO 34 N 4.62 3.63 0.08 0.00 0.05 -1.26 -4.79 135.00 137.33 2kb4 s PRO 34 Ca 0.62 0.40 0.17 0.00 0.05 0.00 0.00 61.00 62.23 2kb4 s PRO 34 Cb -0.17 -3.95 -0.11 0.00 0.05 0.00 0.00 34.50 30.32 2kb4 s PRO 34 CO 0.28 -1.46 0.87 0.00 0.05 0.00 0.00 177.00 176.74 2kb4 h ALA 35 N 9.32 0.64 -2.34 8.56 0.00 -2.07 -3.46 119.26 129.91 2kb4 h ALA 35 Ca -0.24 -0.76 -0.51 0.00 0.00 0.00 0.00 54.91 53.41 2kb4 h ALA 35 Cb 1.06 0.24 0.09 0.00 0.00 0.00 0.00 17.79 19.18 2kb4 h ALA 35 CO 1.13 0.83 0.37 -1.12 0.00 0.00 0.00 179.25 180.46 2kb4 s SER 36 N -5.77 5.50 0.02 0.00 0.01 -1.26 -5.07 113.70 107.12 2kb4 s SER 36 Ca -0.02 1.68 -0.03 0.00 1.31 0.00 0.00 55.95 58.89 2kb4 s SER 36 Cb 0.09 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 2kb4 s SER 36 CO 0.81 -1.36 0.03 0.28 0.41 0.00 0.00 173.24 173.40 2kb4 s THR 37 N -2.86 0.12 0.00 1.44 -1.32 -1.26 -5.03 115.64 106.73 2kb4 s THR 37 Ca 0.60 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 2kb4 s THR 37 Cb -0.15 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 2kb4 s THR 37 CO 0.49 -0.57 0.47 0.61 -2.21 0.00 0.00 174.62 173.42 2kb4 n GLY 38 N 1.19 0.39 0.37 6.08 0.00 -1.26 -4.92 105.19 107.04 2kb4 n GLY 38 Ca -0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.84 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.00 1.42 0.00 4.61 0.00 -1.87 0.51 119.26 123.92 2kb4 h ALA 39 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2kb4 h ALA 39 Cb 1.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kb4 h ALA 39 CO 0.00 0.39 -0.67 1.05 0.00 0.00 0.00 179.25 180.01 2kb4 h GLU 40 N 1.13 0.00 0.19 0.00 4.11 -1.96 -3.36 114.58 114.68 2kb4 h GLU 40 Ca 0.45 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.54 2kb4 h GLU 40 Cb 0.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2kb4 h GLU 40 CO -0.20 0.26 -1.64 -0.91 0.07 0.00 0.00 179.01 176.59 2kb4 h ASN 41 N 0.00 0.63 -3.47 3.06 4.21 -1.55 -3.44 115.58 115.01 2kb4 h ASN 41 Ca -0.04 -0.85 -0.54 0.00 1.21 0.00 0.00 56.30 56.09 2kb4 h ASN 41 Cb 1.28 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 38.24 2kb4 h ASN 41 CO 0.04 1.70 0.23 -0.22 -1.29 0.00 0.00 177.43 177.89 2kb4 s LEU 42 N -7.30 4.46 0.00 1.61 1.98 0.16 -5.06 118.68 114.54 2kb4 s LEU 42 Ca -0.13 1.57 -0.17 0.00 -2.89 0.00 0.00 54.13 52.51 2kb4 s LEU 42 Cb 0.05 -3.36 0.26 0.00 0.66 0.00 0.00 46.19 43.80 2kb4 s LEU 42 CO 0.88 -0.02 0.61 -0.81 -1.89 0.00 0.00 176.35 175.11 2kb4 n PRO 43 N 2.85 -3.87 -2.55 0.98 -0.04 -1.26 -4.81 135.00 126.29 2kb4 n PRO 43 Ca -0.01 -1.02 -0.41 0.00 -0.04 0.00 0.00 63.50 62.03 2kb4 n PRO 43 Cb 0.50 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 2kb4 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 44 N -2.16 2.77 -1.45 0.55 0.00 -1.26 -4.82 121.76 115.39 2kb4 s ALA 44 Ca 0.46 -2.34 -0.12 0.00 0.00 0.00 0.00 51.96 49.96 2kb4 s ALA 44 Cb -0.08 -4.55 0.04 0.00 0.00 0.00 0.00 23.12 18.54 2kb4 s ALA 44 CO 0.38 -3.60 2.30 0.41 0.00 0.00 0.00 175.76 175.25 2kb4 n GLY 45 N 6.68 4.49 3.88 0.00 0.00 -1.26 -0.91 105.19 118.08 2kb4 n GLY 45 Ca 0.35 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 2kb4 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb4 s SER 46 N 2.50 6.57 0.23 1.61 1.04 -0.57 -4.97 113.70 120.11 2kb4 s SER 46 Ca 0.50 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.93 2kb4 s SER 46 Cb 0.14 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.96 2kb4 s SER 46 CO -0.07 -0.22 0.04 0.00 0.98 0.00 0.00 173.24 173.97 2kb4 s ALA 47 N -2.08 1.72 -0.02 5.32 0.00 -1.22 -3.58 121.76 121.90 2kb4 s ALA 47 Ca 0.49 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.70 2kb4 s ALA 47 Cb -0.11 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 2kb4 s ALA 47 CO 0.26 -0.34 -0.14 -0.48 0.00 0.00 0.00 175.76 175.05 2kb4 s LEU 48 N -3.29 1.98 0.08 0.00 2.34 -0.03 -0.51 118.68 119.25 2kb4 s LEU 48 Ca 0.31 -0.26 0.06 0.00 0.06 0.00 0.00 54.13 54.30 2kb4 s LEU 48 Cb 0.07 -0.75 -0.03 0.00 -0.56 0.00 0.00 46.19 44.91 2kb4 s LEU 48 CO 0.10 0.16 -0.17 -1.48 -1.06 0.00 0.00 176.35 173.90 2kb4 s LEU 49 N -0.22 2.26 -0.01 1.48 0.05 -0.30 -0.98 118.68 120.95 2kb4 s LEU 49 Ca 0.03 -0.62 0.06 0.00 0.05 0.00 0.00 54.13 53.65 2kb4 s LEU 49 Cb -0.07 -0.71 -0.01 0.00 -2.05 0.00 0.00 46.19 43.35 2kb4 s LEU 49 CO -0.00 0.01 -0.18 0.68 -0.55 0.00 0.00 176.35 176.30 2kb4 s VAL 50 N -1.14 1.45 -0.30 1.48 -7.23 -0.88 -0.76 120.40 113.01 2kb4 s VAL 50 Ca 0.02 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.31 2kb4 s VAL 50 Cb -0.10 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 2kb4 s VAL 50 CO 0.03 0.40 0.15 -0.69 -0.31 0.00 0.00 175.10 174.68 2kb4 s VAL 51 N -0.44 4.62 -0.09 1.32 1.01 -0.99 -1.79 120.40 124.04 2kb4 s VAL 51 Ca 0.07 -0.34 0.16 0.00 0.00 0.00 0.00 61.98 61.87 2kb4 s VAL 51 Cb -0.07 -3.32 -0.24 0.00 0.00 0.00 0.00 36.38 32.75 2kb4 s VAL 51 CO -0.01 0.11 0.22 0.29 0.00 0.00 0.00 175.10 175.72 2kb4 n LYS 52 N 4.98 0.92 -3.63 2.72 5.02 -1.07 -3.64 118.16 123.46 2kb4 n LYS 52 Ca -0.14 -0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 55.85 2kb4 n LYS 52 Cb 0.50 -1.43 -0.17 0.00 -0.02 0.00 0.00 35.03 33.91 2kb4 n LYS 52 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kb4 s ARG 53 N -2.82 0.02 0.00 1.97 6.06 -1.21 -5.02 118.95 117.95 2kb4 s ARG 53 Ca -0.07 0.25 0.00 0.00 -2.50 0.00 0.00 55.73 53.40 2kb4 s ARG 53 Cb 0.08 -0.98 0.00 0.00 0.06 0.00 0.00 34.95 34.11 2kb4 s ARG 53 CO 0.71 -0.48 0.00 0.41 -2.50 0.00 0.00 175.30 173.45 2kb4 n GLY 54 N 5.30 4.83 0.00 8.12 0.00 -1.26 -0.50 105.19 121.69 2kb4 n GLY 54 Ca -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N -1.70 0.00 0.09 1.61 -0.02 -1.26 -2.52 135.00 131.20 2kb4 n PRO 55 Ca 0.00 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.61 2kb4 n PRO 55 Cb 0.00 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kb4 h ASN 56 N 0.00 -0.21 -1.79 2.55 -1.24 -1.91 -3.18 115.58 109.80 2kb4 h ASN 56 Ca 0.00 0.02 0.21 0.00 0.71 0.00 0.00 56.30 57.24 2kb4 h ASN 56 Cb 0.30 0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.39 2kb4 h ASN 56 CO 0.00 -0.13 0.59 0.00 -1.29 0.00 0.00 177.43 176.60 2kb4 n ALA 57 N -2.25 -2.44 -2.70 1.57 0.00 -1.05 -4.60 120.51 109.05 2kb4 n ALA 57 Ca -0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 53.44 52.64 2kb4 n ALA 57 Cb 0.12 0.23 0.09 0.00 0.00 0.00 0.00 19.45 19.89 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -0.63 0.53 2.54 0.00 0.00 -1.26 -4.45 105.19 101.92 2kb4 n GLY 58 Ca 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -0.20 -0.70 -2.66 4.61 0.00 -1.24 -4.94 120.51 115.38 2kb4 n ALA 59 Ca -0.04 -1.05 -0.34 0.00 0.00 0.00 0.00 53.44 52.00 2kb4 n ALA 59 Cb 0.77 0.84 -0.10 0.00 0.00 0.00 0.00 19.45 20.96 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.35 2.94 -0.07 0.00 3.03 -1.26 -2.34 118.95 118.90 2kb4 s ARG 60 Ca 0.17 -0.47 0.02 0.00 2.03 0.00 0.00 55.73 57.47 2kb4 s ARG 60 Cb -0.02 -2.72 0.01 0.00 -1.03 0.00 0.00 34.95 31.20 2kb4 s ARG 60 CO 0.12 0.65 -0.12 -0.06 -1.13 0.00 0.00 175.30 174.76 2kb4 s PHE 61 N -0.75 1.50 -0.33 5.89 0.08 0.06 -4.98 117.98 119.45 2kb4 s PHE 61 Ca 0.12 -0.58 -0.15 0.00 0.12 0.00 0.00 56.93 56.44 2kb4 s PHE 61 Cb -0.11 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 2kb4 s PHE 61 CO 0.02 -0.31 0.35 -1.17 -0.10 0.00 0.00 175.22 174.02 2kb4 s LEU 62 N 0.75 4.36 -0.34 -0.37 1.98 -1.26 -1.15 118.68 122.65 2kb4 s LEU 62 Ca -0.13 -0.14 -0.13 0.00 -2.89 0.00 0.00 54.13 50.84 2kb4 s LEU 62 Cb -0.16 -2.34 -0.02 0.00 0.66 0.00 0.00 46.19 44.33 2kb4 s LEU 62 CO 0.03 -0.30 0.24 -0.76 -1.89 0.00 0.00 176.35 173.66 2kb4 s LEU 63 N 2.01 4.49 0.00 -0.68 2.01 0.34 -4.78 118.68 122.08 2kb4 s LEU 63 Ca 0.12 -0.40 0.12 0.00 0.01 0.00 0.00 54.13 53.99 2kb4 s LEU 63 Cb -0.16 -2.14 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 2kb4 s LEU 63 CO 0.11 -0.22 0.67 -0.90 1.01 0.00 0.00 176.35 177.02 2kb4 n ASP 64 N 5.10 1.19 -4.62 2.29 5.75 -1.26 -3.44 116.55 121.56 2kb4 n ASP 64 Ca -0.13 -1.09 -0.43 0.00 -0.01 0.00 0.00 54.79 53.13 2kb4 n ASP 64 Cb 0.50 0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 41.15 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2kb4 s GLN 65 N -1.69 3.52 0.46 0.11 2.00 -1.26 -4.91 119.66 117.89 2kb4 s GLN 65 Ca 0.09 1.75 0.13 0.00 -2.00 0.00 0.00 55.36 55.33 2kb4 s GLN 65 Cb 0.10 -4.18 1.04 0.00 0.80 0.00 0.00 33.01 30.77 2kb4 s GLN 65 CO 0.35 -1.64 2.04 -1.00 -0.50 0.00 0.00 175.29 174.54 2kb4 h PRO 66 N 12.42 0.10 -3.33 1.67 0.13 -1.93 -3.40 132.00 137.66 2kb4 h PRO 66 Ca -0.37 -0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.27 2kb4 h PRO 66 Cb 1.19 -0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 2kb4 h PRO 66 CO 1.00 0.17 -0.76 0.99 -0.23 0.00 0.00 178.00 179.17 2kb4 s THR 67 N -4.91 0.23 -0.29 1.56 2.01 -1.26 -1.57 115.64 111.41 2kb4 s THR 67 Ca -0.05 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 2kb4 s THR 67 Cb 0.16 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.92 2kb4 s THR 67 CO 0.70 -0.19 0.05 -0.89 -0.69 0.00 0.00 174.62 173.60 2kb4 s THR 68 N 2.00 3.68 0.02 -0.82 2.01 0.78 -4.98 115.64 118.33 2kb4 s THR 68 Ca 0.01 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 2kb4 s THR 68 Cb -0.16 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 2kb4 s THR 68 CO -0.08 0.06 0.41 0.42 -0.69 0.00 0.00 174.62 174.74 2kb4 s THR 69 N 1.44 5.03 -0.04 -0.82 -4.23 -1.26 -0.15 115.64 115.62 2kb4 s THR 69 Ca 0.01 0.79 0.05 0.00 -1.18 0.00 0.00 61.69 61.36 2kb4 s THR 69 Cb -0.17 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 2kb4 s THR 69 CO 0.01 0.53 -0.18 0.00 -0.54 0.00 0.00 174.62 174.44 2kb4 s ALA 70 N -1.13 2.50 0.00 3.99 0.00 0.72 -0.80 121.76 127.04 2kb4 s ALA 70 Ca 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2kb4 s ALA 70 Cb -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2kb4 s ALA 70 CO 0.14 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.86 2kb4 n GLY 71 N 2.34 -0.67 0.00 0.00 0.00 -1.23 -1.66 105.19 103.97 2kb4 n GLY 71 Ca -0.17 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N 0.00 0.00 0.00 1.61 0.63 -0.74 -2.40 116.66 115.76 2kb4 n ARG 72 Ca 0.00 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2kb4 n ARG 72 Cb 0.00 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.67 2kb4 n ARG 72 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2kb4 n HIS 73 N -1.54 -0.33 0.23 -0.14 -0.00 -1.26 -3.33 115.22 108.85 2kb4 n HIS 73 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2kb4 n HIS 73 Cb 0.00 0.07 0.55 0.00 -0.00 0.00 0.00 29.99 30.61 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kb4 h PRO 74 N 0.00 0.00 -0.60 1.57 0.13 -1.95 -2.94 132.00 128.21 2kb4 h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kb4 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kb4 h PRO 74 CO 0.00 0.21 0.00 0.39 -0.23 0.00 0.00 178.00 178.37 2kb4 n GLU 75 N -3.54 2.34 -3.87 0.86 1.02 -1.26 -4.85 120.64 111.34 2kb4 n GLU 75 Ca -0.01 -1.33 -0.09 0.00 -0.02 0.00 0.00 57.16 55.71 2kb4 n GLU 75 Cb 0.36 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kb4 s SER 76 N -0.64 -0.16 -0.08 1.62 1.04 -1.11 -4.79 113.70 109.59 2kb4 s SER 76 Ca 0.24 -0.70 -0.24 0.00 0.48 0.00 0.00 55.95 55.73 2kb4 s SER 76 Cb 0.16 0.57 -0.30 0.00 0.10 0.00 0.00 66.02 66.55 2kb4 s SER 76 CO 0.11 -1.08 0.85 -0.78 0.98 0.00 0.00 173.24 173.32 2kb4 h ASP 77 N 2.26 0.31 -3.14 7.02 1.82 -1.22 -3.45 116.42 120.02 2kb4 h ASP 77 Ca -0.28 -0.97 -0.66 0.00 -0.39 0.00 0.00 57.03 54.73 2kb4 h ASP 77 Cb 1.25 -0.10 -0.11 0.00 0.68 0.00 0.00 39.33 41.05 2kb4 h ASP 77 CO 0.37 1.26 -0.58 0.27 -1.61 0.00 0.00 179.24 178.95 2kb4 s ILE 78 N -2.36 4.65 -0.23 2.25 -4.36 -0.72 -4.98 121.20 115.44 2kb4 s ILE 78 Ca -0.15 -0.33 -0.02 0.00 -0.26 0.00 0.00 60.65 59.89 2kb4 s ILE 78 Cb -0.00 -3.07 0.01 0.00 1.25 0.00 0.00 42.46 40.65 2kb4 s ILE 78 CO 0.78 0.44 -0.09 0.72 0.24 0.00 0.00 174.94 177.04 2kb4 s PHE 79 N -1.10 2.97 -0.41 1.37 -0.71 -1.26 -3.48 117.98 115.37 2kb4 s PHE 79 Ca 0.20 -1.39 -0.21 0.00 -1.04 0.00 0.00 56.93 54.48 2kb4 s PHE 79 Cb -0.12 -2.04 0.02 0.00 -1.21 0.00 0.00 43.02 39.67 2kb4 s PHE 79 CO 0.10 -0.69 0.69 -0.51 -1.34 0.00 0.00 175.22 173.47 2kb4 s LEU 80 N 1.36 4.32 -0.00 -1.99 1.02 -1.01 -4.64 118.68 117.74 2kb4 s LEU 80 Ca 0.03 -0.06 0.05 0.00 0.02 0.00 0.00 54.13 54.17 2kb4 s LEU 80 Cb -0.15 -2.84 0.14 0.00 0.02 0.00 0.00 46.19 43.36 2kb4 s LEU 80 CO -0.06 -0.75 1.11 -0.67 0.02 0.00 0.00 176.35 176.00 2kb4 n ASP 81 N 6.33 0.90 -4.79 2.29 2.03 -1.20 -4.77 116.55 117.34 2kb4 n ASP 81 Ca -0.00 -2.01 -0.36 0.00 0.52 0.00 0.00 54.79 52.94 2kb4 n ASP 81 Cb 0.48 -0.12 -0.05 0.00 -0.72 0.00 0.00 41.12 40.71 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb4 s ASP 82 N -0.97 6.98 0.53 1.67 -1.08 -1.26 -4.94 116.67 117.60 2kb4 s ASP 82 Ca 0.11 1.92 0.31 0.00 -0.52 0.00 0.00 52.55 54.37 2kb4 s ASP 82 Cb 0.06 -2.58 1.42 0.00 -1.46 0.00 0.00 42.92 40.36 2kb4 s ASP 82 CO 0.07 -0.33 2.02 1.62 0.52 0.00 0.00 175.17 179.07 2kb4 h VAL 83 N 2.29 0.27 -0.57 1.11 3.04 -2.02 -2.89 116.25 117.49 2kb4 h VAL 83 Ca -0.48 -0.60 -0.13 0.00 -1.01 0.00 0.00 66.70 64.48 2kb4 h VAL 83 Cb 1.20 1.47 -0.08 0.00 -2.01 0.00 0.00 31.29 31.87 2kb4 h VAL 83 CO 0.63 0.08 0.17 0.41 -1.01 0.00 0.00 177.57 177.85 2kb4 n THR 84 N -3.30 2.41 -2.87 3.17 -1.04 -1.26 -4.93 114.28 106.46 2kb4 n THR 84 Ca -0.01 -1.26 -0.39 0.00 -2.04 0.00 0.00 64.05 60.35 2kb4 n THR 84 Cb 0.29 -0.40 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kb4 s VAL 85 N -2.50 4.23 0.49 12.58 0.11 -1.09 -4.50 120.40 129.73 2kb4 s VAL 85 Ca 0.45 1.86 -0.12 0.00 -2.93 0.00 0.00 61.98 61.23 2kb4 s VAL 85 Cb 0.35 -4.19 -0.06 0.00 -1.53 0.00 0.00 36.38 30.96 2kb4 s VAL 85 CO 0.12 0.45 0.90 -0.44 -3.33 0.00 0.00 175.10 172.79 2kb4 s SER 86 N -1.25 6.47 0.05 3.54 0.01 -1.26 -4.92 113.70 116.33 2kb4 s SER 86 Ca 0.40 1.31 -0.28 0.00 1.31 0.00 0.00 55.95 58.70 2kb4 s SER 86 Cb -0.23 -2.40 -0.17 0.00 0.21 0.00 0.00 66.02 63.42 2kb4 s SER 86 CO 0.28 -0.58 1.47 0.03 0.41 0.00 0.00 173.24 174.85 2kb4 h ARG 87 N 0.71 -0.52 -4.87 12.44 3.08 -1.94 -2.65 114.38 120.62 2kb4 h ARG 87 Ca -0.46 0.04 -0.67 0.00 0.07 0.00 0.00 59.98 58.95 2kb4 h ARG 87 Cb 1.19 0.12 -0.34 0.00 0.08 0.00 0.00 29.97 31.02 2kb4 h ARG 87 CO 0.62 -0.26 -0.76 1.03 -1.07 0.00 0.00 179.97 179.52 2kb4 s ARG 88 N -5.46 2.54 0.00 0.04 1.81 -1.26 -1.79 118.95 114.83 2kb4 s ARG 88 Ca -0.15 -1.17 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 2kb4 s ARG 88 Cb 0.03 -2.96 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 2kb4 s ARG 88 CO 0.59 -0.50 0.00 1.58 -0.68 0.00 0.00 175.30 176.30 2kb4 n HIS 89 N 4.57 0.00 -4.04 -0.53 -0.00 -0.66 -4.23 115.22 110.32 2kb4 n HIS 89 Ca -0.15 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.93 2kb4 n HIS 89 Cb 0.45 -0.02 -0.07 0.00 -0.12 0.00 0.00 29.99 30.23 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -4.29 0.27 -0.08 1.57 0.00 -0.96 -0.92 121.76 117.35 2kb4 s ALA 90 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2kb4 s ALA 90 Cb 0.00 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2kb4 s ALA 90 CO 0.00 -0.67 -0.13 -2.00 0.00 0.00 0.00 175.76 172.96 2kb4 s GLU 91 N -4.03 1.82 -0.25 0.00 2.12 0.56 -0.20 118.70 118.72 2kb4 s GLU 91 Ca 0.24 -0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.05 2kb4 s GLU 91 Cb 0.03 -1.54 -0.03 0.00 0.26 0.00 0.00 34.13 32.85 2kb4 s GLU 91 CO 0.05 -0.01 0.10 -0.06 -0.54 0.00 0.00 175.26 174.80 2kb4 s PHE 92 N 0.81 3.12 0.00 5.30 0.40 0.79 -1.19 117.98 127.21 2kb4 s PHE 92 Ca -0.11 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 2kb4 s PHE 92 Cb -0.15 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 2kb4 s PHE 92 CO 0.02 -0.30 -0.25 1.03 0.70 0.00 0.00 175.22 176.42 2kb4 s ARG 93 N 1.62 2.04 -0.20 0.44 0.52 0.10 -0.16 118.95 123.31 2kb4 s ARG 93 Ca 0.06 -0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 2kb4 s ARG 93 Cb -0.15 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.27 2kb4 s ARG 93 CO 0.05 0.55 -0.11 -1.50 0.02 0.00 0.00 175.30 174.31 2kb4 s ILE 94 N -0.71 2.77 0.05 1.52 -1.16 -0.61 -1.04 121.20 122.03 2kb4 s ILE 94 Ca 0.11 -0.71 0.05 0.00 -0.51 0.00 0.00 60.65 59.59 2kb4 s ILE 94 Cb -0.10 -2.23 -0.04 0.00 0.61 0.00 0.00 42.46 40.70 2kb4 s ILE 94 CO 0.01 0.46 -0.07 0.21 -2.81 0.00 0.00 174.94 172.74 2kb4 s ASN 95 N 1.39 4.59 0.00 4.50 3.84 0.26 -4.71 114.94 124.80 2kb4 s ASN 95 Ca 0.05 -0.24 0.00 0.00 0.21 0.00 0.00 52.86 52.88 2kb4 s ASN 95 Cb -0.14 -1.00 0.00 0.00 -0.55 0.00 0.00 41.25 39.56 2kb4 s ASN 95 CO -0.08 0.23 0.20 -1.84 -2.79 0.00 0.00 177.10 172.82 2kb4 n GLU 96 N 1.11 0.17 0.00 0.43 0.28 -1.26 -2.63 120.64 118.74 2kb4 n GLU 96 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 2kb4 n GLU 96 Cb 0.52 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.98 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kb4 n GLY 97 N 1.09 0.12 3.43 -1.84 0.00 -1.26 -4.59 105.19 102.15 2kb4 n GLY 97 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -0.91 1.82 -0.15 1.61 2.02 -1.08 -5.09 118.70 116.93 2kb4 s GLU 98 Ca 0.00 -2.09 0.01 0.00 0.02 0.00 0.00 54.97 52.91 2kb4 s GLU 98 Cb 0.00 -0.33 0.02 0.00 0.10 0.00 0.00 34.13 33.92 2kb4 s GLU 98 CO 0.00 -0.50 -0.17 -0.06 0.02 0.00 0.00 175.26 174.55 2kb4 s PHE 99 N -3.34 2.40 -0.07 1.61 0.08 -1.26 -0.57 117.98 116.82 2kb4 s PHE 99 Ca 0.30 -1.33 0.01 0.00 0.12 0.00 0.00 56.93 56.03 2kb4 s PHE 99 Cb 0.03 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2kb4 s PHE 99 CO 0.18 -0.68 -0.08 -2.00 -0.10 0.00 0.00 175.22 172.54 2kb4 s GLU 100 N 1.28 1.32 -0.14 0.44 2.12 -0.21 -0.67 118.70 122.83 2kb4 s GLU 100 Ca 0.02 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2kb4 s GLU 100 Cb -0.13 -1.23 0.03 0.00 0.26 0.00 0.00 34.13 33.05 2kb4 s GLU 100 CO -0.09 -0.09 -0.12 0.54 -0.54 0.00 0.00 175.26 174.97 2kb4 s VAL 101 N 1.03 1.40 -0.05 3.70 0.11 -0.48 0.02 120.40 126.13 2kb4 s VAL 101 Ca -0.08 -0.57 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 2kb4 s VAL 101 Cb -0.14 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2kb4 s VAL 101 CO -0.00 0.39 -0.24 0.68 -3.33 0.00 0.00 175.10 172.59 2kb4 s VAL 102 N 1.55 2.14 0.02 2.04 -7.23 -0.34 -1.07 120.40 117.51 2kb4 s VAL 102 Ca 0.04 -1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.90 2kb4 s VAL 102 Cb -0.13 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2kb4 s VAL 102 CO -0.10 0.57 0.84 -0.62 -0.31 0.00 0.00 175.10 175.49 2kb4 s ASP 103 N -0.29 7.25 0.00 4.85 -1.08 0.59 -0.33 116.67 127.67 2kb4 s ASP 103 Ca 0.00 1.50 0.18 0.00 -0.52 0.00 0.00 52.55 53.72 2kb4 s ASP 103 Cb -0.13 -2.50 0.45 0.00 -1.46 0.00 0.00 42.92 39.28 2kb4 s ASP 103 CO 0.02 -0.10 1.37 1.33 0.52 0.00 0.00 175.17 178.32 2kb4 n VAL 104 N 3.31 0.81 0.00 1.11 0.24 -0.10 -4.87 118.33 118.83 2kb4 n VAL 104 Ca 0.01 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 2kb4 n VAL 104 Cb 0.50 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N 1.21 0.50 3.69 7.63 0.00 -1.21 -4.94 105.19 112.07 2kb4 n GLY 105 Ca 0.18 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2kb4 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 106 N 0.00 7.22 0.32 1.61 0.01 -1.25 -4.79 113.70 116.82 2kb4 s SER 106 Ca 0.00 1.49 0.20 0.00 1.31 0.00 0.00 55.95 58.95 2kb4 s SER 106 Cb 0.00 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.85 2kb4 s SER 106 CO 0.00 -0.39 1.40 -0.07 0.41 0.00 0.00 173.24 174.59 2kb4 h LEU 107 N 7.79 0.00 -0.47 2.44 4.07 -1.93 -3.21 115.31 124.00 2kb4 h LEU 107 Ca -0.33 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.47 2kb4 h LEU 107 Cb 1.16 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 2kb4 h LEU 107 CO 0.83 0.21 -0.77 -1.13 -1.08 0.00 0.00 178.44 176.50 2kb4 h ASN 108 N 0.00 0.05 -1.19 -0.43 -0.73 -1.90 -3.50 115.58 107.88 2kb4 h ASN 108 Ca -0.02 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2kb4 h ASN 108 Cb 1.17 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.75 2kb4 h ASN 108 CO 0.02 0.79 0.00 0.61 -0.37 0.00 0.00 177.43 178.49 2kb4 n GLY 109 N 0.66 -0.65 3.59 1.57 0.00 -1.22 -3.92 105.19 105.23 2kb4 n GLY 109 Ca -0.01 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N 0.00 5.29 -0.09 2.61 2.01 -1.26 -0.35 115.64 123.85 2kb4 s THR 110 Ca 0.00 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2kb4 s THR 110 Cb 0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2kb4 s THR 110 CO 0.00 0.23 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.69 2kb4 s TYR 111 N 1.81 2.70 -0.21 4.92 2.02 0.12 -2.76 117.35 125.95 2kb4 s TYR 111 Ca 0.08 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2kb4 s TYR 111 Cb -0.16 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 2kb4 s TYR 111 CO 0.11 -0.06 -0.07 0.54 -1.57 0.00 0.00 175.55 174.50 2kb4 s VAL 112 N -0.16 3.19 -1.85 0.71 0.11 0.73 -0.22 120.40 122.90 2kb4 s VAL 112 Ca -0.01 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2kb4 s VAL 112 Cb -0.14 -2.43 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 2kb4 s VAL 112 CO 0.03 0.45 0.00 0.59 -3.33 0.00 0.00 175.10 172.84 2kb4 n ASN 113 N 4.63 -5.51 0.00 3.54 4.13 -0.46 -0.48 115.26 121.10 2kb4 n ASN 113 Ca -0.19 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2kb4 n ASN 113 Cb 0.51 -4.70 0.00 0.00 -1.54 0.00 0.00 39.78 34.05 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kb4 n ARG 114 N -2.74 0.00 -3.64 3.52 5.12 -1.26 -5.04 116.66 112.62 2kb4 n ARG 114 Ca -0.22 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.32 2kb4 n ARG 114 Cb 0.67 -2.76 -0.11 0.00 -1.16 0.00 0.00 32.46 29.10 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2kb4 s GLU 115 N -0.02 3.94 -0.06 5.56 2.12 0.37 -4.95 118.70 125.66 2kb4 s GLU 115 Ca 0.00 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 2kb4 s GLU 115 Cb 0.00 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 2kb4 s GLU 115 CO 0.00 -0.11 1.08 -1.25 -0.54 0.00 0.00 175.26 174.44 2kb4 s PRO 116 N 1.54 4.42 0.26 4.30 0.04 -1.26 -0.19 135.00 144.11 2kb4 s PRO 116 Ca 0.07 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 2kb4 s PRO 116 Cb -0.15 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.88 2kb4 s PRO 116 CO 0.08 -0.31 0.38 2.89 0.04 0.00 0.00 177.00 180.08 2kb4 n ARG 117 N 4.81 0.55 -0.09 4.56 1.85 -1.11 -4.98 116.66 122.24 2kb4 n ARG 117 Ca 0.09 -1.97 -0.12 0.00 -1.00 0.00 0.00 57.85 54.85 2kb4 n ARG 117 Cb 0.48 1.96 -0.05 0.00 -1.05 0.00 0.00 32.46 33.80 2kb4 n ARG 117 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2kb4 n ASN 118 N -1.71 1.90 -4.37 2.89 4.05 -1.26 -4.72 115.26 112.04 2kb4 n ASN 118 Ca -0.00 0.43 -0.32 0.00 0.45 0.00 0.00 54.58 55.14 2kb4 n ASN 118 Cb 0.42 -0.81 -0.15 0.00 1.23 0.00 0.00 39.78 40.47 2kb4 n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kb4 s ALA 119 N -2.74 2.34 0.00 5.20 0.00 -1.26 -0.30 121.76 125.00 2kb4 s ALA 119 Ca -0.26 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2kb4 s ALA 119 Cb 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2kb4 s ALA 119 CO 0.39 0.53 -0.01 -1.14 0.00 0.00 0.00 175.76 175.53 2kb4 s GLN 120 N -0.63 0.10 -0.37 0.00 2.00 -0.23 -5.02 119.66 115.50 2kb4 s GLN 120 Ca 0.10 -0.08 -0.29 0.00 -2.00 0.00 0.00 55.36 53.09 2kb4 s GLN 120 Cb -0.10 -0.07 0.02 0.00 0.80 0.00 0.00 33.01 33.66 2kb4 s GLN 120 CO -0.00 0.02 1.09 0.08 -0.50 0.00 0.00 175.29 175.97 2kb4 s VAL 121 N -0.13 4.41 0.05 1.34 1.01 -1.26 -1.38 120.40 124.44 2kb4 s VAL 121 Ca -0.01 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 2kb4 s VAL 121 Cb -0.01 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 2kb4 s VAL 121 CO -0.00 -0.66 1.76 -0.32 0.00 0.00 0.00 175.10 175.88 2kb4 s MET 122 N 3.91 4.17 -0.12 2.72 1.75 0.15 -4.93 119.30 126.94 2kb4 s MET 122 Ca 0.46 2.42 -0.05 0.00 -1.25 0.00 0.00 55.69 57.27 2kb4 s MET 122 Cb -0.10 -3.80 -0.04 0.00 2.84 0.00 0.00 34.83 33.73 2kb4 s MET 122 CO 0.21 -0.83 0.05 -1.14 -0.65 0.00 0.00 175.02 172.66 2kb4 s GLN 123 N 3.33 3.39 -0.26 4.11 2.00 -1.26 -4.67 119.66 126.30 2kb4 s GLN 123 Ca 0.78 -0.33 -0.29 0.00 -2.00 0.00 0.00 55.36 53.52 2kb4 s GLN 123 Cb -0.40 -3.00 0.01 0.00 0.80 0.00 0.00 33.01 30.41 2kb4 s GLN 123 CO 0.35 0.58 1.08 0.95 -0.50 0.00 0.00 175.29 177.75 2kb4 s THR 124 N -0.52 4.56 0.00 -0.34 -4.23 -1.26 -3.26 115.64 110.59 2kb4 s THR 124 Ca 0.10 1.85 0.00 0.00 -1.18 0.00 0.00 61.69 62.46 2kb4 s THR 124 Cb -0.12 -4.31 0.00 0.00 1.34 0.00 0.00 72.50 69.41 2kb4 s THR 124 CO 0.02 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2kb4 n GLY 125 N 3.58 1.37 4.02 3.99 0.00 0.74 -4.98 105.19 113.90 2kb4 n GLY 125 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2kb4 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb4 s ASP 126 N -1.78 5.42 -0.07 1.61 1.01 -1.20 -4.82 116.67 116.84 2kb4 s ASP 126 Ca 0.00 -0.53 -0.00 0.00 0.71 0.00 0.00 52.55 52.73 2kb4 s ASP 126 Cb 0.00 -0.35 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 2kb4 s ASP 126 CO 0.00 -1.00 -0.04 -1.83 0.21 0.00 0.00 175.17 172.51 2kb4 s GLU 127 N -4.50 2.83 -0.16 8.23 -1.05 -1.26 -1.46 118.70 121.32 2kb4 s GLU 127 Ca 0.58 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.90 2kb4 s GLU 127 Cb -0.09 -2.67 0.02 0.00 -0.44 0.00 0.00 34.13 30.96 2kb4 s GLU 127 CO 0.36 0.67 -0.15 0.42 0.95 0.00 0.00 175.26 177.51 2kb4 s ILE 128 N -0.86 1.71 -0.19 1.83 1.01 0.90 -1.35 121.20 124.25 2kb4 s ILE 128 Ca 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2kb4 s ILE 128 Cb -0.11 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2kb4 s ILE 128 CO 0.03 0.44 -0.13 -1.58 0.00 0.00 0.00 174.94 173.70 2kb4 s GLN 129 N 1.42 3.21 -0.54 2.79 0.74 0.69 -0.83 119.66 127.15 2kb4 s GLN 129 Ca 0.04 -0.72 -0.12 0.00 0.05 0.00 0.00 55.36 54.61 2kb4 s GLN 129 Cb -0.13 -2.75 0.13 0.00 1.10 0.00 0.00 33.01 31.36 2kb4 s GLN 129 CO -0.11 -0.13 0.45 0.96 -0.55 0.00 0.00 175.29 175.91 2kb4 s ILE 130 N 1.19 4.70 0.00 -2.34 -4.36 0.76 0.11 121.20 121.26 2kb4 s ILE 130 Ca 0.02 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2kb4 s ILE 130 Cb -0.14 -4.04 0.00 0.00 1.25 0.00 0.00 42.46 39.53 2kb4 s ILE 130 CO -0.05 -0.84 0.00 0.61 0.24 0.00 0.00 174.94 174.90 2kb4 n GLY 131 N 4.89 0.52 0.03 6.27 0.00 0.52 -0.73 105.19 116.69 2kb4 n GLY 131 Ca -0.08 0.57 0.06 0.00 0.00 0.00 0.00 46.02 46.57 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 0.00 0.69 -3.15 1.61 4.81 -1.26 -4.91 118.16 115.95 2kb4 n LYS 132 Ca 0.00 -0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 56.87 2kb4 n LYS 132 Cb 0.00 -1.48 -0.07 0.00 0.02 0.00 0.00 35.03 33.50 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kb4 s PHE 133 N -3.17 3.11 -0.22 5.64 0.08 0.09 -4.47 117.98 119.04 2kb4 s PHE 133 Ca -0.08 0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.97 2kb4 s PHE 133 Cb 0.11 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 2kb4 s PHE 133 CO 0.81 -0.74 0.07 0.50 -0.10 0.00 0.00 175.22 175.77 2kb4 s ARG 134 N 2.68 3.83 -0.01 0.44 3.52 0.35 -0.17 118.95 129.58 2kb4 s ARG 134 Ca 0.22 -0.40 0.06 0.00 -0.13 0.00 0.00 55.73 55.48 2kb4 s ARG 134 Cb -0.15 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2kb4 s ARG 134 CO 0.17 0.04 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.32 2kb4 s LEU 135 N 1.01 2.05 -0.07 -0.88 0.20 -0.01 -2.59 118.68 118.39 2kb4 s LEU 135 Ca 0.04 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.52 2kb4 s LEU 135 Cb -0.14 -1.05 -0.02 0.00 -0.43 0.00 0.00 46.19 44.55 2kb4 s LEU 135 CO 0.03 0.25 -0.18 0.54 -0.29 0.00 0.00 176.35 176.69 2kb4 s VAL 136 N -0.50 2.68 -0.22 1.68 0.11 -0.74 -0.07 120.40 123.34 2kb4 s VAL 136 Ca 0.08 -0.84 -0.06 0.00 -2.93 0.00 0.00 61.98 58.23 2kb4 s VAL 136 Cb -0.08 -2.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 2kb4 s VAL 136 CO -0.01 0.57 0.01 0.12 -3.33 0.00 0.00 175.10 172.47 2kb4 s PHE 137 N -0.33 3.04 0.12 1.54 5.36 -0.54 -2.08 117.98 125.10 2kb4 s PHE 137 Ca 0.02 -0.55 0.10 0.00 -0.96 0.00 0.00 56.93 55.55 2kb4 s PHE 137 Cb -0.13 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 2kb4 s PHE 137 CO 0.02 -0.34 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.68 2kb4 s LEU 138 N 1.30 2.32 0.07 6.12 2.01 -0.15 -0.18 118.68 130.16 2kb4 s LEU 138 Ca 0.04 -0.73 0.06 0.00 0.01 0.00 0.00 54.13 53.50 2kb4 s LEU 138 Cb -0.15 -1.10 -0.03 0.00 0.01 0.00 0.00 46.19 44.93 2kb4 s LEU 138 CO 0.01 0.13 -0.15 0.00 1.01 0.00 0.00 176.35 177.35 2kb4 s ALA 139 N -1.13 1.29 0.00 4.21 0.00 -1.26 -0.86 121.76 124.02 2kb4 s ALA 139 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kb4 s ALA 139 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2kb4 s ALA 139 CO 0.06 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.45 2kb4 n GLY 140 N 1.44 -1.99 3.54 0.00 0.00 -1.25 -4.97 105.19 101.95 2kb4 n GLY 140 Ca -0.20 0.58 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 2kb4 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb4 n PRO 141 N -1.97 1.04 -3.76 1.61 -0.04 -1.23 -3.01 135.00 127.63 2kb4 n PRO 141 Ca 0.00 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 2kb4 n PRO 141 Cb 0.00 -3.03 -0.12 0.00 -0.04 0.00 0.00 33.50 30.31 2kb4 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 142 N 10.65 3.12 -2.40 0.55 0.00 -0.26 -1.51 121.76 131.91 2kb4 s ALA 142 Ca 1.05 -2.27 0.19 0.00 0.00 0.00 0.00 51.96 50.93 2kb4 s ALA 142 Cb -0.43 -2.38 0.15 0.00 0.00 0.00 0.00 23.12 20.47 2kb4 s ALA 142 CO 0.33 -1.65 1.11 -1.91 0.00 0.00 0.00 175.76 173.64